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PubChem AID 484

Compile data set for download or QSAR
Found 196 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37354
PNG
(MLS000032033 | N-[2-[4-(4-fluorophenyl)-1-piperazi...)
Show SMILES Fc1ccc(cc1)N1CCN(CC1)c1ccccc1NC(=O)c1ccccc1
Show InChI InChI=1S/C23H22FN3O/c24-19-10-12-20(13-11-19)26-14-16-27(17-15-26)22-9-5-4-8-21(22)25-23(28)18-6-2-1-3-7-18/h1-13H,14-17H2,(H,25,28)
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n/an/a>1.84E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37503
PNG
(MLS000109722 | N-(5-bromanylpyridin-2-yl)-2,2-dime...)
Show SMILES CC(C)=CC1C(C(=O)Nc2ccc(Br)cn2)C1(C)C
Show InChI InChI=1S/C15H19BrN2O/c1-9(2)7-11-13(15(11,3)4)14(19)18-12-6-5-10(16)8-17-12/h5-8,11,13H,1-4H3,(H,17,18,19)
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n/an/a 2.15E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37349
PNG
(1-(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-N-(furan-2-...)
Show SMILES Cc1ccc(cc1)C(N(Cc1ccco1)Cc1cccs1)c1nnnn1C(C)(C)C
Show InChI InChI=1S/C23H27N5OS/c1-17-9-11-18(12-10-17)21(22-24-25-26-28(22)23(2,3)4)27(15-19-7-5-13-29-19)16-20-8-6-14-30-20/h5-14,21H,15-16H2,1-4H3
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n/an/a 3.78E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37163
PNG
(MLS000119027 | N-(5-bromanyl-1,3-thiazol-2-yl)-3-p...)
Show SMILES Brc1cnc(NC(=O)C(Cc2ccccc2)n2cccc2)s1
Show InChI InChI=1S/C16H14BrN3OS/c17-14-11-18-16(22-14)19-15(21)13(20-8-4-5-9-20)10-12-6-2-1-3-7-12/h1-9,11,13H,10H2,(H,18,19,21)
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n/an/a 4.26E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37450
PNG
(4-chloranyl-2-[1-[(4-methoxyphenyl)amino]ethyl]phe...)
Show SMILES COc1ccc(NC(C)c2cc(Cl)ccc2O)cc1
Show InChI InChI=1S/C15H16ClNO2/c1-10(14-9-11(16)3-8-15(14)18)17-12-4-6-13(19-2)7-5-12/h3-10,17-18H,1-2H3
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n/an/a 5.41E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37463
PNG
(2-[4-(6-bromanylquinazolin-4-yl)piperazin-1-yl]eth...)
Show SMILES OCCN1CCN(CC1)c1ncnc2ccc(Br)cc12
Show InChI InChI=1S/C14H17BrN4O/c15-11-1-2-13-12(9-11)14(17-10-16-13)19-5-3-18(4-6-19)7-8-20/h1-2,9-10,20H,3-8H2
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n/an/a>5.53E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM30027
PNG
(BMCL181297 Compound 5A | cid_662965 | triazolothia...)
Show SMILES COc1ccc(cc1OC)C1=Nn2c(SC1)nnc2-c1ccccc1OC
Show InChI InChI=1S/C19H18N4O3S/c1-24-15-7-5-4-6-13(15)18-20-21-19-23(18)22-14(11-27-19)12-8-9-16(25-2)17(10-12)26-3/h4-10H,11H2,1-3H3
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n/an/a>5.53E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37419
PNG
(MLS000065442 | N-(2-furanylmethyl)-3-[[(4-methylph...)
Show SMILES Cc1ccc(cc1)C(=O)Nc1cccc(c1)C(=O)NCc1ccco1
Show InChI InChI=1S/C20H18N2O3/c1-14-7-9-15(10-8-14)20(24)22-17-5-2-4-16(12-17)19(23)21-13-18-6-3-11-25-18/h2-12H,13H2,1H3,(H,21,23)(H,22,24)
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n/an/a>5.53E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37509
PNG
(2-[(4-methoxy-6-methyl-2-quinazolinyl)amino]-1H-qu...)
Show SMILES COc1nc(Nc2nc3ccccc3c(=O)[nH]2)nc2ccc(C)cc12
Show InChI InChI=1S/C18H15N5O2/c1-10-7-8-14-12(9-10)16(25-2)22-18(20-14)23-17-19-13-6-4-3-5-11(13)15(24)21-17/h3-9H,1-2H3,(H2,19,20,21,22,23,24)
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n/an/a>5.53E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37451
PNG
(6,8-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-2-pyridi...)
Show SMILES Cc1cc(NC(=O)c2cc(nc3c(C)cc(C)cc23)-c2ccccn2)no1
Show InChI InChI=1S/C21H18N4O2/c1-12-8-13(2)20-15(9-12)16(21(26)24-19-10-14(3)27-25-19)11-18(23-20)17-6-4-5-7-22-17/h4-11H,1-3H3,(H,24,25,26)
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n/an/a>5.53E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37438
PNG
(2-allyl-6-[[(1-propylbenzimidazol-2-yl)amino]methy...)
Show SMILES CCCn1c(NCc2cccc(CC=C)c2O)nc2ccccc12
Show InChI InChI=1S/C20H23N3O/c1-3-8-15-9-7-10-16(19(15)24)14-21-20-22-17-11-5-6-12-18(17)23(20)13-4-2/h3,5-7,9-12,24H,1,4,8,13-14H2,2H3,(H,21,22)
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n/an/a 5.81E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37449
PNG
(2-[1-[(5-bromanylpyridin-2-yl)amino]ethyl]-4-chlor...)
Show SMILES CC(Nc1ccc(Br)cn1)c1cc(Cl)ccc1O
Show InChI InChI=1S/C13H12BrClN2O/c1-8(11-6-10(15)3-4-12(11)18)17-13-5-2-9(14)7-16-13/h2-8,18H,1H3,(H,16,17)
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n/an/a 6.47E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37357
PNG
(1-(1-tert-butyl-1,2,3,4-tetrazol-5-yl)-1-(4-fluoro...)
Show SMILES COc1cccc(CN(Cc2ccco2)C(c2nnnn2C(C)(C)C)c2ccc(F)cc2)c1
Show InChI InChI=1S/C25H28FN5O2/c1-25(2,3)31-24(27-28-29-31)23(19-10-12-20(26)13-11-19)30(17-22-9-6-14-33-22)16-18-7-5-8-21(15-18)32-4/h5-15,23H,16-17H2,1-4H3
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n/an/a 7.36E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37382
PNG
((1-methylbenzimidazol-2-yl)-(1-propylbenzimidazol-...)
Show SMILES CCCn1c(Nc2nc3ccccc3n2C)nc2ccccc12
Show InChI InChI=1S/C18H19N5/c1-3-12-23-16-11-7-5-9-14(16)20-18(23)21-17-19-13-8-4-6-10-15(13)22(17)2/h4-11H,3,12H2,1-2H3,(H,19,20,21)
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n/an/a 7.90E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37434
PNG
(2-[(1-bicyclo[2.2.1]hept-2-yl-1H-tetrazol-5-yl)thi...)
Show SMILES O=C(CSc1nnnn1C1CC2CCC1C2)Nc1ccnc2ccccc12
Show InChI InChI=1S/C19H20N6OS/c26-18(21-16-7-8-20-15-4-2-1-3-14(15)16)11-27-19-22-23-24-25(19)17-10-12-5-6-13(17)9-12/h1-4,7-8,12-13,17H,5-6,9-11H2,(H,20,21,26)
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n/an/a 8.57E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37418
PNG
(4-[1-(2-chloro-4-fluorobenzyl)-1H-benzimidazol-2-y...)
Show SMILES Nc1nonc1-c1nc2ccccc2n1Cc1ccc(F)cc1Cl
Show InChI InChI=1S/C16H11ClFN5O/c17-11-7-10(18)6-5-9(11)8-23-13-4-2-1-3-12(13)20-16(23)14-15(19)22-24-21-14/h1-7H,8H2,(H2,19,22)
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n/an/a 8.59E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37436
PNG
(1-(1,3-benzodioxol-5-yl)-3-(5-tert-butyl-2-methoxy...)
Show SMILES COc1ccc(cc1NC(=O)Nc1ccc2OCOc2c1)C(C)(C)C
Show InChI InChI=1S/C19H22N2O4/c1-19(2,3)12-5-7-15(23-4)14(9-12)21-18(22)20-13-6-8-16-17(10-13)25-11-24-16/h5-10H,11H2,1-4H3,(H2,20,21,22)
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n/an/a 8.95E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37398
PNG
(2-chloro-4-[2-[3-(methylthio)anilino]-2-oxoethyl]-...)
Show SMILES COC(=O)c1cc2sc(Cl)cc2n1CC(=O)Nc1cccc(SC)c1
Show InChI InChI=1S/C17H15ClN2O3S2/c1-23-17(22)13-7-14-12(8-15(18)25-14)20(13)9-16(21)19-10-4-3-5-11(6-10)24-2/h3-8H,9H2,1-2H3,(H,19,21)
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n/an/a 9.67E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37365
PNG
(5-Amino-7-furan-2-yl-2-[1-furan-2-yl-meth-(Z)-ylid...)
Show SMILES CCOC(=O)C1=C(N)n2c(=O)c(=Cc3ccco3)sc2=C(C1c1ccco1)C(=O)OC
Show InChI InChI=1S/C21H18N2O7S/c1-3-28-21(26)15-14(12-7-5-9-30-12)16(20(25)27-2)19-23(17(15)22)18(24)13(31-19)10-11-6-4-8-29-11/h4-10,14H,3,22H2,1-2H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM34341
PNG
(3-[3-(4-fluorophenyl)-7-methyl-1-(1-pyrrolidinyl)-...)
Show SMILES Cc1nn(CCC#N)c2N=C(OP(=S)(N3CCCC3)c12)c1ccc(F)cc1
Show InChI InChI=1S/C18H19FN5OPS/c1-13-16-17(24(22-13)12-4-9-20)21-18(14-5-7-15(19)8-6-14)25-26(16,27)23-10-2-3-11-23/h5-8H,2-4,10-12H2,1H3
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n/an/a 1.24E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37406
PNG
(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-chloro-3,5-...)
Show SMILES CCOC(=O)c1nnn(c1COc1cc(C)c(Cl)c(C)c1)-c1nonc1N
Show InChI InChI=1S/C16H17ClN6O4/c1-4-25-16(24)13-11(23(22-19-13)15-14(18)20-27-21-15)7-26-10-5-8(2)12(17)9(3)6-10/h5-6H,4,7H2,1-3H3,(H2,18,20)
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n/an/a 1.33E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37464
PNG
(MLS000117404 | N-(2,5-dimethoxyphenyl)-2-(N-(3,5-d...)
Show SMILES COc1ccc(OC)c(NC(=O)CN(c2ccc(cc2)C(C)C)S(=O)(=O)c2c(C)noc2C)c1
Show InChI InChI=1S/C24H29N3O6S/c1-15(2)18-7-9-19(10-8-18)27(34(29,30)24-16(3)26-33-17(24)4)14-23(28)25-21-13-20(31-5)11-12-22(21)32-6/h7-13,15H,14H2,1-6H3,(H,25,28)
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n/an/a 1.39E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37461
PNG
(2-propan-2-yloxyethyl 6-(furan-2-yl)-3-methyl-4-ox...)
Show SMILES CC(C)OCCOC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1ccco1
Show InChI InChI=1S/C19H23NO5/c1-11(2)23-7-8-25-19(22)18-12(3)17-14(20-18)9-13(10-15(17)21)16-5-4-6-24-16/h4-6,11,13,20H,7-10H2,1-3H3
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n/an/a 1.41E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37507
PNG
(MLS000113142 | N-(2,4-dimethoxyphenyl)-2-[2-(furan...)
Show SMILES COc1ccc(NC(=O)c2c(NC(=O)CNCc3ccco3)sc3CCCc23)c(OC)c1
Show InChI InChI=1S/C23H25N3O5S/c1-29-14-8-9-17(18(11-14)30-2)25-22(28)21-16-6-3-7-19(16)32-23(21)26-20(27)13-24-12-15-5-4-10-31-15/h4-5,8-11,24H,3,6-7,12-13H2,1-2H3,(H,25,28)(H,26,27)
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n/an/a 1.45E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM31344
PNG
(2-[[4-benzyl-5-(5-bromo-2-furyl)-1,2,4-triazol-3-y...)
Show SMILES Fc1ccccc1C(=O)CSc1nnc(-c2ccc(Br)o2)n1Cc1ccccc1
Show InChI InChI=1S/C21H15BrFN3O2S/c22-19-11-10-18(28-19)20-24-25-21(26(20)12-14-6-2-1-3-7-14)29-13-17(27)15-8-4-5-9-16(15)23/h1-11H,12-13H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37478
PNG
(1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(2-thienyl)ur...)
Show SMILES CCOc1ccc2nc(NC(=O)Nc3cccs3)sc2c1
Show InChI InChI=1S/C14H13N3O2S2/c1-2-19-9-5-6-10-11(8-9)21-14(15-10)17-13(18)16-12-4-3-7-20-12/h3-8H,2H2,1H3,(H2,15,16,17,18)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM32790
PNG
(2-({[(4-chlorophenyl)amino]carbonyl}amino)-N-(2-fu...)
Show SMILES Clc1ccc(NC(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1
Show InChI InChI=1S/C19H16ClN3O3/c20-13-7-9-14(10-8-13)22-19(25)23-17-6-2-1-5-16(17)18(24)21-12-15-4-3-11-26-15/h1-11H,12H2,(H,21,24)(H2,22,23,25)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37358
PNG
(2-Amino-7-dimethylamino-4-(2-methoxy-phenyl)-4H-ch...)
Show SMILES COC(=O)C1C(c2ccccc2OC)c2ccc(cc2OC1=N)N(C)C
Show InChI InChI=1S/C20H22N2O4/c1-22(2)12-9-10-14-16(11-12)26-19(21)18(20(23)25-4)17(14)13-7-5-6-8-15(13)24-3/h5-11,17-18,21H,1-4H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37364
PNG
((6-Methyl-3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)...)
Show SMILES CC(C)CC(OC(=O)CN1C(=O)COc2ccc(C)cc12)C(=O)NC1CCCC1
Show InChI InChI=1S/C22H30N2O5/c1-14(2)10-19(22(27)23-16-6-4-5-7-16)29-21(26)12-24-17-11-15(3)8-9-18(17)28-13-20(24)25/h8-9,11,14,16,19H,4-7,10,12-13H2,1-3H3,(H,23,27)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37379
PNG
(2-(4-methoxyanilino)-7-phenyl-7,8-dihydro-6H-quina...)
Show SMILES COc1ccc(Nc2ncc3C(=O)CC(Cc3n2)c2ccccc2)cc1
Show InChI InChI=1S/C21H19N3O2/c1-26-17-9-7-16(8-10-17)23-21-22-13-18-19(24-21)11-15(12-20(18)25)14-5-3-2-4-6-14/h2-10,13,15H,11-12H2,1H3,(H,22,23,24)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37453
PNG
(2-(3-chloro-4-methoxy-anilino)-6-propyl-1H-pyrimid...)
Show SMILES CCCc1cc(=O)[nH]c(Nc2ccc(OC)c(Cl)c2)n1
Show InChI InChI=1S/C14H16ClN3O2/c1-3-4-9-8-13(19)18-14(16-9)17-10-5-6-12(20-2)11(15)7-10/h5-8H,3-4H2,1-2H3,(H2,16,17,18,19)
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n/an/a>1.66E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM31349
PNG
(3-(2-ethylanilino)-2-(2-furanylmethyl)-3H-isoindol...)
Show SMILES CCc1ccccc1NC1N(Cc2ccco2)C(=O)c2ccccc12
Show InChI InChI=1S/C21H20N2O2/c1-2-15-8-3-6-12-19(15)22-20-17-10-4-5-11-18(17)21(24)23(20)14-16-9-7-13-25-16/h3-13,20,22H,2,14H2,1H3
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n/an/a>1.66E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37367
PNG
(1-(5-Chloro-2-methyl-phenyl)-4-[1-(1-furan-2-ylmet...)
Show SMILES CCCC(N1CCN(CC1)c1cc(Cl)ccc1C)c1nnnn1Cc1ccco1
Show InChI InChI=1S/C21H27ClN6O/c1-3-5-19(21-23-24-25-28(21)15-18-6-4-13-29-18)26-9-11-27(12-10-26)20-14-17(22)8-7-16(20)2/h4,6-8,13-14,19H,3,5,9-12,15H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37471
PNG
((2-methyl-2,3-dihydroindol-1-yl)-(1-quinolin-8-yls...)
Show SMILES CC1Cc2ccccc2N1C(=O)C1CCCN(C1)S(=O)(=O)c1cccc2cccnc12
Show InChI InChI=1S/C24H25N3O3S/c1-17-15-19-7-2-3-11-21(19)27(17)24(28)20-10-6-14-26(16-20)31(29,30)22-12-4-8-18-9-5-13-25-23(18)22/h2-5,7-9,11-13,17,20H,6,10,14-16H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37515
PNG
(1,4-bis[(4-ethoxyphenyl)sulfonyl]-2-methyl-piperaz...)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)N1CCN(C(C)C1)S(=O)(=O)c1ccc(OCC)cc1
Show InChI InChI=1S/C21H28N2O6S2/c1-4-28-18-6-10-20(11-7-18)30(24,25)22-14-15-23(17(3)16-22)31(26,27)21-12-8-19(9-13-21)29-5-2/h6-13,17H,4-5,14-16H2,1-3H3
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n/an/a 1.66E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37361
PNG
(8-[2-(4-Methoxy-phenyl)-5-phenyl-pyrazolo[1,5-a]py...)
Show SMILES COc1ccc(cc1)-c1cc2nc(cc(N3CCC4(CC3)OCCO4)n2n1)-c1ccccc1
Show InChI InChI=1S/C26H26N4O3/c1-31-21-9-7-20(8-10-21)23-17-24-27-22(19-5-3-2-4-6-19)18-25(30(24)28-23)29-13-11-26(12-14-29)32-15-16-33-26/h2-10,17-18H,11-16H2,1H3
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n/an/a 1.74E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37362
PNG
(5-(3,4-Dichloro-phenyl)-7-trifluoromethyl-4,5,6,7-...)
Show SMILES Cc1cc(NC(=O)c2cc3NC(CC(n3n2)C(F)(F)F)c2ccc(Cl)c(Cl)c2)no1
Show InChI InChI=1S/C18H14Cl2F3N5O2/c1-8-4-15(27-30-8)25-17(29)13-7-16-24-12(9-2-3-10(19)11(20)5-9)6-14(18(21,22)23)28(16)26-13/h2-5,7,12,14,24H,6H2,1H3,(H,25,27,29)
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n/an/a 1.75E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37252
PNG
((E)-[1-[4-(2-fluorobenzyl)oxyphenyl]-2,5-dimethyl-...)
Show SMILES Cc1cc(C=Nn2cnnc2)c(C)n1-c1ccc(OCc2ccccc2F)cc1
Show InChI InChI=1S/C22H20FN5O/c1-16-11-19(12-26-27-14-24-25-15-27)17(2)28(16)20-7-9-21(10-8-20)29-13-18-5-3-4-6-22(18)23/h3-12,14-15H,13H2,1-2H3
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n/an/a 1.82E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37404
PNG
(MLS000085111 | N-[4,5-dimethyl-3-[(4-pyridin-2-ylp...)
Show SMILES Cc1sc(NC(=O)c2ccco2)c(CN2CCN(CC2)c2ccccn2)c1C
Show InChI InChI=1S/C21H24N4O2S/c1-15-16(2)28-21(23-20(26)18-6-5-13-27-18)17(15)14-24-9-11-25(12-10-24)19-7-3-4-8-22-19/h3-8,13H,9-12,14H2,1-2H3,(H,23,26)
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n/an/a 1.88E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37359
PNG
(2-furfuryl-[2-methyl-1-(1-p-anisyltetrazol-5-yl)pr...)
Show SMILES COc1ccc(Cn2nnnc2C(C(C)C)N(Cc2ccco2)Cc2cccs2)cc1
Show InChI InChI=1S/C23H27N5O2S/c1-17(2)22(27(15-20-6-4-12-30-20)16-21-7-5-13-31-21)23-24-25-26-28(23)14-18-8-10-19(29-3)11-9-18/h4-13,17,22H,14-16H2,1-3H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37243
PNG
(4-butoxy-N-(2,5-dimethoxyphenyl)benzenesulfonamide...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)Nc1cc(OC)ccc1OC
Show InChI InChI=1S/C18H23NO5S/c1-4-5-12-24-14-6-9-16(10-7-14)25(20,21)19-17-13-15(22-2)8-11-18(17)23-3/h6-11,13,19H,4-5,12H2,1-3H3
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n/an/a 2.12E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37513
PNG
(3-(2,5-dimethyl-1-pyrrolyl)-2-methyl-6-phenyl-4-th...)
Show SMILES Cc1ccc(C)n1-n1c(C)nc2sc(cc2c1=O)-c1ccccc1
Show InChI InChI=1S/C19H17N3OS/c1-12-9-10-13(2)21(12)22-14(3)20-18-16(19(22)23)11-17(24-18)15-7-5-4-6-8-15/h4-11H,1-3H3
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n/an/a 2.27E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37432
PNG
(3-[(4-bromo-1-ethyl-pyrazole-3-carbonyl)amino]-4-c...)
Show SMILES CCOC(=O)c1c(NC(=O)c2nn(CC)cc2Br)c(cn1-c1ccccc1)C#N
Show InChI InChI=1S/C20H18BrN5O3/c1-3-25-12-15(21)17(24-25)19(27)23-16-13(10-22)11-26(14-8-6-5-7-9-14)18(16)20(28)29-4-2/h5-9,11-12H,3-4H2,1-2H3,(H,23,27)
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n/an/a 2.79E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37501
PNG
(4-(dimethylamino)-N-(4,5,6,7-tetrahydro-1,3-benzot...)
Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1nc2CCCCc2s1
Show InChI InChI=1S/C16H19N3OS/c1-19(2)12-9-7-11(8-10-12)15(20)18-16-17-13-5-3-4-6-14(13)21-16/h7-10H,3-6H2,1-2H3,(H,17,18,20)
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n/an/a 3.10E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37439
PNG
(6-amino-8-(4-chlorophenyl)-8H-[1,3]dioxolo[4,5-g][...)
Show SMILES Clc1ccc(cc1)C1C(C#N)C(=N)Oc2cc3OCOc3cc12
Show InChI InChI=1S/C17H11ClN2O3/c18-10-3-1-9(2-4-10)16-11-5-14-15(22-8-21-14)6-13(11)23-17(20)12(16)7-19/h1-6,12,16,20H,8H2
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n/an/a 3.10E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37373
PNG
(4-(1-Ethoxycarbonyl-ethyl)-2-methyl-4H-thieno[3,2-...)
Show SMILES CCOC(=O)C(C)n1c(cc2sc(C)cc12)C(=O)OCC
Show InChI InChI=1S/C15H19NO4S/c1-5-19-14(17)10(4)16-11-7-9(3)21-13(11)8-12(16)15(18)20-6-2/h7-8,10H,5-6H2,1-4H3
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n/an/a 3.11E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37375
PNG
(2-[(4-amino-7-methyl-5,6,7,8-tetrahydro-[1]benzoth...)
Show SMILES CC1CCc2c(C1)sc1nc(SCC(=O)NCc3ccco3)nc(N)c21
Show InChI InChI=1S/C18H20N4O2S2/c1-10-4-5-12-13(7-10)26-17-15(12)16(19)21-18(22-17)25-9-14(23)20-8-11-3-2-6-24-11/h2-3,6,10H,4-5,7-9H2,1H3,(H,20,23)(H2,19,21,22)
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n/an/a 3.33E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37492
PNG
(5-chloranyl-N-(2-methyl-1,3-benzothiazol-6-yl)thio...)
Show SMILES Cc1nc2ccc(NC(=O)c3ccc(Cl)s3)cc2s1
Show InChI InChI=1S/C13H9ClN2OS2/c1-7-15-9-3-2-8(6-11(9)18-7)16-13(17)10-4-5-12(14)19-10/h2-6H,1H3,(H,16,17)
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n/an/a 3.39E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM33552
PNG
(MLS000087084 | N-(1-benzyl-3,5-dimethyl-1H-pyrazol...)
Show SMILES COc1cccc(c1)-c1cc(no1)C(=O)Nc1c(C)nn(Cc2ccccc2)c1C
Show InChI InChI=1S/C23H22N4O3/c1-15-22(16(2)27(25-15)14-17-8-5-4-6-9-17)24-23(28)20-13-21(30-26-20)18-10-7-11-19(12-18)29-3/h4-13H,14H2,1-3H3,(H,24,28)
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n/an/a 3.44E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37426
PNG
(3-amino-4-anilino-2-thieno[2,3-b]pyridinecarboxami...)
Show SMILES NC(=O)c1sc2nccc(Nc3ccccc3)c2c1N
Show InChI InChI=1S/C14H12N4OS/c15-11-10-9(18-8-4-2-1-3-5-8)6-7-17-14(10)20-12(11)13(16)19/h1-7H,15H2,(H2,16,19)(H,17,18)
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n/an/a 3.94E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37402
PNG
(5-tert-butyl-N-(4-fluorobenzyl)-4,5,6,7-tetrahydro...)
Show SMILES CC(C)(C)C1CCc2onc(C(=O)NCc3ccc(F)cc3)c2C1
Show InChI InChI=1S/C19H23FN2O2/c1-19(2,3)13-6-9-16-15(10-13)17(22-24-16)18(23)21-11-12-4-7-14(20)8-5-12/h4-5,7-8,13H,6,9-11H2,1-3H3,(H,21,23)
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n/an/a 4.00E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37446
PNG
(MLS000096850 | N-(3-{[4-tert-butyl-6-(trifluoromet...)
Show SMILES CC(C)(C)c1cc(nc(SCCCNC(=O)c2ccco2)n1)C(F)(F)F
Show InChI InChI=1S/C17H20F3N3O2S/c1-16(2,3)12-10-13(17(18,19)20)23-15(22-12)26-9-5-7-21-14(24)11-6-4-8-25-11/h4,6,8,10H,5,7,9H2,1-3H3,(H,21,24)
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n/an/a 4.02E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37422
PNG
(MLS000062469 | N-[3-(2-amino-1,3-thiazol-4-yl)phen...)
Show SMILES Nc1nc(cs1)-c1cccc(NS(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C15H13N3O2S2/c16-15-17-14(10-21-15)11-5-4-6-12(9-11)18-22(19,20)13-7-2-1-3-8-13/h1-10,18H,(H2,16,17)
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n/an/a>4.98E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37430
PNG
(4-(2,3-dihydroindol-1-yl)-1-(3-methylphenyl)pyrazo...)
Show SMILES Cc1cccc(c1)-n1ncc2c(ncnc12)N1CCc2ccccc12
Show InChI InChI=1S/C20H17N5/c1-14-5-4-7-16(11-14)25-20-17(12-23-25)19(21-13-22-20)24-10-9-15-6-2-3-8-18(15)24/h2-8,11-13H,9-10H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37445
PNG
(MLS000048232 | N-[3-(1,3-benzoxazol-2-yl)phenyl]-2...)
Show SMILES CCC(CC)C(=O)Nc1cccc(c1)-c1nc2ccccc2o1
Show InChI InChI=1S/C19H20N2O2/c1-3-13(4-2)18(22)20-15-9-7-8-14(12-15)19-21-16-10-5-6-11-17(16)23-19/h5-13H,3-4H2,1-2H3,(H,20,22)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37447
PNG
(2-{[4-ethyl-5-({[(4-methoxyphenyl)acetyl]amino}met...)
Show SMILES CCn1c(CNC(=O)Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1nccs1
Show InChI InChI=1S/C19H22N6O3S2/c1-3-25-15(11-21-16(26)10-13-4-6-14(28-2)7-5-13)23-24-19(25)30-12-17(27)22-18-20-8-9-29-18/h4-9H,3,10-12H2,1-2H3,(H,21,26)(H,20,22,27)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37448
PNG
(2-methyl-3-imidazo[1,2-a]pyridinecarboxylic acid e...)
Show SMILES CCOC(=O)c1c(C)nc2ccccn12
Show InChI InChI=1S/C11H12N2O2/c1-3-15-11(14)10-8(2)12-9-6-4-5-7-13(9)10/h4-7H,3H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37452
PNG
(2-[3-cyclohexyl-1-(3-methoxyphenyl)-2,5-bis(oxidan...)
Show SMILES COc1cccc(c1)-n1c(O)c(CC(=O)Nc2ccc(F)cc2)n(C2CCCCC2)c1=O
Show InChI InChI=1S/C24H26FN3O4/c1-32-20-9-5-8-19(14-20)28-23(30)21(27(24(28)31)18-6-3-2-4-7-18)15-22(29)26-17-12-10-16(25)11-13-17/h5,8-14,18,30H,2-4,6-7,15H2,1H3,(H,26,29)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37454
PNG
(2,3-dihydro-1,4-benzodioxin-6-carboxylic acid 8-qu...)
Show SMILES O=C(Oc1cccc2cccnc12)c1ccc2OCCOc2c1
Show InChI InChI=1S/C18H13NO4/c20-18(13-6-7-14-16(11-13)22-10-9-21-14)23-15-5-1-3-12-4-2-8-19-17(12)15/h1-8,11H,9-10H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37465
PNG
((5-amino-1,3,4-thiadiazol-2-yl)-cyclohexyl-methyl-...)
Show SMILES CN(C1CCCCC1)c1nnc(N)s1
Show InChI InChI=1S/C9H16N4S/c1-13(7-5-3-2-4-6-7)9-12-11-8(10)14-9/h7H,2-6H2,1H3,(H2,10,11)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37466
PNG
(2-[[5-[(2-methyl-1H-indol-3-yl)methyl]-1,3,4-oxadi...)
Show SMILES Cc1[nH]c2ccccc2c1Cc1nnc(SCC(N)=O)o1
Show InChI InChI=1S/C14H14N4O2S/c1-8-10(9-4-2-3-5-11(9)16-8)6-13-17-18-14(20-13)21-7-12(15)19/h2-5,16H,6-7H2,1H3,(H2,15,19)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37470
PNG
(MLS000119232 | SMR000096153 | [4-(1,3-benzoxazol-2...)
Show SMILES O=C(N1CCN(CC1)c1nc2ccccc2o1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C24H21N3O2/c28-23(20-12-10-19(11-13-20)18-6-2-1-3-7-18)26-14-16-27(17-15-26)24-25-21-8-4-5-9-22(21)29-24/h1-13H,14-17H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37472
PNG
(1-(1-phenylcyclopropyl)-3-(3-pyridinylmethyl)urea ...)
Show SMILES O=C(NCc1cccnc1)NC1(CC1)c1ccccc1
Show InChI InChI=1S/C16H17N3O/c20-15(18-12-13-5-4-10-17-11-13)19-16(8-9-16)14-6-2-1-3-7-14/h1-7,10-11H,8-9,12H2,(H2,18,19,20)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37477
PNG
(1-[6-(4-ethoxy-3-methoxy-phenyl)-3-(methylthio)-6H...)
Show SMILES CCOc1ccc(cc1OC)C1Oc2nc(SC)nnc2-c2ccccc2N1C(C)=O
Show InChI InChI=1S/C22H22N4O4S/c1-5-29-17-11-10-14(12-18(17)28-3)21-26(13(2)27)16-9-7-6-8-15(16)19-20(30-21)23-22(31-4)25-24-19/h6-12,21H,5H2,1-4H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37482
PNG
(2-(2,4-dichlorophenoxy)-N-(3-morpholin-4-ylpropyl)...)
Show SMILES CC(Oc1ccc(Cl)cc1Cl)C(=O)NCCCN1CCOCC1
Show InChI InChI=1S/C16H22Cl2N2O3/c1-12(23-15-4-3-13(17)11-14(15)18)16(21)19-5-2-6-20-7-9-22-10-8-20/h3-4,11-12H,2,5-10H2,1H3,(H,19,21)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37494
PNG
(4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[5-(5,6,7...)
Show SMILES CC1CN(CC(C)O1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(o1)-c1ccc2CCCCc2c1
Show InChI InChI=1S/C25H28N4O5S/c1-16-14-29(15-17(2)33-16)35(31,32)22-11-9-19(10-12-22)23(30)26-25-28-27-24(34-25)21-8-7-18-5-3-4-6-20(18)13-21/h7-13,16-17H,3-6,14-15H2,1-2H3,(H,26,28,30)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37499
PNG
(3-(1-oxopropylamino)-1H-indole-2-carboxylic acid e...)
Show SMILES CCOC(=O)c1[nH]c2ccccc2c1NC(=O)CC
Show InChI InChI=1S/C14H16N2O3/c1-3-11(17)16-12-9-7-5-6-8-10(9)15-13(12)14(18)19-4-2/h5-8,15H,3-4H2,1-2H3,(H,16,17)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37500
PNG
(4-(4-ethyl-1-piperazinyl)-1-phenylpyrazolo[3,4-d]p...)
Show SMILES CCN1CCN(CC1)c1ncnc2n(ncc12)-c1ccccc1
Show InChI InChI=1S/C17H20N6/c1-2-21-8-10-22(11-9-21)16-15-12-20-23(17(15)19-13-18-16)14-6-4-3-5-7-14/h3-7,12-13H,2,8-11H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37506
PNG
(2-(2-furoylamino)-5,6-dihydro-4H-cyclopenta[b]thio...)
Show SMILES COC(=O)C1CCc2sc(NC(=O)c3ccco3)c(C(=O)OC)c12
Show InChI InChI=1S/C16H15NO6S/c1-21-15(19)8-5-6-10-11(8)12(16(20)22-2)14(24-10)17-13(18)9-4-3-7-23-9/h3-4,7-8H,5-6H2,1-2H3,(H,17,18)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37431
PNG
(3,4-dimethoxy-N-(3-methoxyphenyl)benzenesulfonamid...)
Show SMILES COc1cccc(NS(=O)(=O)c2ccc(OC)c(OC)c2)c1
Show InChI InChI=1S/C15H17NO5S/c1-19-12-6-4-5-11(9-12)16-22(17,18)13-7-8-14(20-2)15(10-13)21-3/h4-10,16H,1-3H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM31347
PNG
(2-(3,4-dimethoxyphenyl)-N-[3-[5-(3-methylphenyl)-1...)
Show SMILES COc1ccc(CC(=O)Nc2cccc(c2)-c2nnc(o2)-c2cccc(C)c2)cc1OC
Show InChI InChI=1S/C25H23N3O4/c1-16-6-4-7-18(12-16)24-27-28-25(32-24)19-8-5-9-20(15-19)26-23(29)14-17-10-11-21(30-2)22(13-17)31-3/h4-13,15H,14H2,1-3H3,(H,26,29)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37435
PNG
((4-methoxy-6-morpholino-s-triazin-2-yl)-methyl-ami...)
Show SMILES CNc1nc(OC)nc(n1)N1CCOCC1
Show InChI InChI=1S/C9H15N5O2/c1-10-7-11-8(13-9(12-7)15-2)14-3-5-16-6-4-14/h3-6H2,1-2H3,(H,10,11,12,13)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM31348
PNG
(2-[3-(2-furoyl)indol-1-yl]-1-(2-methylpiperidino)e...)
Show SMILES CC1CCCCN1C(=O)Cn1cc(C(=O)c2ccco2)c2ccccc12
Show InChI InChI=1S/C21H22N2O3/c1-15-7-4-5-11-23(15)20(24)14-22-13-17(16-8-2-3-9-18(16)22)21(25)19-10-6-12-26-19/h2-3,6,8-10,12-13,15H,4-5,7,11,14H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37491
PNG
((3Z)-3-(3-butylsulfanyl-4-methyl-1H-1,2,4-triazol-...)
Show SMILES CCCCSc1nnc(-c2c[nH]c3ccccc23)n1C
Show InChI InChI=1S/C15H18N4S/c1-3-4-9-20-15-18-17-14(19(15)2)12-10-16-13-8-6-5-7-11(12)13/h5-8,10,16H,3-4,9H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37496
PNG
(2-[[(5Z)-5-(3-indolylidene)-4-(3-methoxyphenyl)-1H...)
Show SMILES COc1cccc(c1)-n1c(SCC(=O)N2CCOCC2)nnc1-c1c[nH]c2ccccc12
Show InChI InChI=1S/C23H23N5O3S/c1-30-17-6-4-5-16(13-17)28-22(19-14-24-20-8-3-2-7-18(19)20)25-26-23(28)32-15-21(29)27-9-11-31-12-10-27/h2-8,13-14,24H,9-12,15H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37502
PNG
(MLS000103064 | N-(1,3-diketo-2-methyl-isoindolin-4...)
Show SMILES CN1C(=O)c2cccc(NC(=O)CCc3ccccc3)c2C1=O
Show InChI InChI=1S/C18H16N2O3/c1-20-17(22)13-8-5-9-14(16(13)18(20)23)19-15(21)11-10-12-6-3-2-4-7-12/h2-9H,10-11H2,1H3,(H,19,21)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37221
PNG
(1-[4-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-pipera...)
Show SMILES CC(=O)c1ccc(cc1)N1CCN(CC1)c1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C18H18F3N3O/c1-13(25)14-2-5-16(6-3-14)23-8-10-24(11-9-23)17-7-4-15(12-22-17)18(19,20)21/h2-7,12H,8-11H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37517
PNG
(5-(2,4-dimethoxybenzyl)-1-phenyl-barbituric acid |...)
Show SMILES COc1ccc(Cc2c(O)n(-c3ccccc3)c(=O)[nH]c2=O)c(OC)c1
Show InChI InChI=1S/C19H18N2O5/c1-25-14-9-8-12(16(11-14)26-2)10-15-17(22)20-19(24)21(18(15)23)13-6-4-3-5-7-13/h3-9,11,23H,10H2,1-2H3,(H,20,22,24)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37352
PNG
(1-(2-furoyl)isonipecotic acid ethyl ester | 1-(Fur...)
Show SMILES CCOC(=O)C1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C13H17NO4/c1-2-17-13(16)10-5-7-14(8-6-10)12(15)11-4-3-9-18-11/h3-4,9-10H,2,5-8H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37353
PNG
(2-[[5-[(2-chloroanilino)methyl]-4-ethyl-1,2,4-tria...)
Show SMILES CCn1c(CNc2ccccc2Cl)nnc1SCC(=O)NCc1ccccc1
Show InChI InChI=1S/C20H22ClN5OS/c1-2-26-18(13-22-17-11-7-6-10-16(17)21)24-25-20(26)28-14-19(27)23-12-15-8-4-3-5-9-15/h3-11,22H,2,12-14H2,1H3,(H,23,27)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37368
PNG
(1-N-benzyl-4-N-[(2-fluorophenyl)methyl]piperidine-...)
Show SMILES Fc1ccccc1CNC(=O)C1CCN(CC1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C21H24FN3O2/c22-19-9-5-4-8-18(19)15-23-20(26)17-10-12-25(13-11-17)21(27)24-14-16-6-2-1-3-7-16/h1-9,17H,10-15H2,(H,23,26)(H,24,27)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37374
PNG
(2-(2-thenylideneamino)-5,6,7,8-tetrahydro-4H-cyclo...)
Show SMILES N#Cc1c2CCCCCc2sc1N=Cc1cccs1
Show InChI InChI=1S/C15H14N2S2/c16-9-13-12-6-2-1-3-7-14(12)19-15(13)17-10-11-5-4-8-18-11/h4-5,8,10H,1-3,6-7H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM34252
PNG
(2-[[3-cyano-4-(2-furanyl)-5,6,7,8-tetrahydroquinol...)
Show SMILES Cc1ccccc1NC(=O)CSc1nc2CCCCc2c(-c2ccco2)c1C#N
Show InChI InChI=1S/C23H21N3O2S/c1-15-7-2-4-9-18(15)25-21(27)14-29-23-17(13-24)22(20-11-6-12-28-20)16-8-3-5-10-19(16)26-23/h2,4,6-7,9,11-12H,3,5,8,10,14H2,1H3,(H,25,27)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37385
PNG
(6-amino-1-benzyl-3-ethyl-5-(2-morpholin-4-ylacetyl...)
Show SMILES CCn1c(=O)c(C(=O)CN2CCOCC2)c(N)n(Cc2ccccc2)c1=O
Show InChI InChI=1S/C19H24N4O4/c1-2-22-18(25)16(15(24)13-21-8-10-27-11-9-21)17(20)23(19(22)26)12-14-6-4-3-5-7-14/h3-7H,2,8-13,20H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37389
PNG
(1-(2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrid[4,3-...)
Show SMILES CN1CCC2C(C1)c1cc(C)ccc1N2C(=O)COc1ccc(cc1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C25H31N3O5S/c1-18-3-8-23-21(15-18)22-16-26(2)10-9-24(22)28(23)25(29)17-33-19-4-6-20(7-5-19)34(30,31)27-11-13-32-14-12-27/h3-8,15,22,24H,9-14,16-17H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM31345
PNG
(4-[4-morpholinyl-(2-propyl-3-indazolyl)phosphoryl]...)
Show SMILES CCCn1nc2ccccc2c1P(=O)(N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C18H27N4O3P/c1-2-7-22-18(16-5-3-4-6-17(16)19-22)26(23,20-8-12-24-13-9-20)21-10-14-25-15-11-21/h3-6H,2,7-15H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37401
PNG
(3-(6-keto-3-phenyl-pyridazin-1-yl)-N-[2-(2-methylp...)
Show SMILES CC1CCCCN1CCNC(=O)CCn1nc(ccc1=O)-c1ccccc1
Show InChI InChI=1S/C21H28N4O2/c1-17-7-5-6-14-24(17)16-13-22-20(26)12-15-25-21(27)11-10-19(23-25)18-8-3-2-4-9-18/h2-4,8-11,17H,5-7,12-16H2,1H3,(H,22,26)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37414
PNG
(MLS000095297 | N-cyclopentyl-4-(4-keto-2-thioxo-1H...)
Show SMILES O=C(CCCn1c(=S)[nH]c2ccccc2c1=O)NC1CCCC1
Show InChI InChI=1S/C17H21N3O2S/c21-15(18-12-6-1-2-7-12)10-5-11-20-16(22)13-8-3-4-9-14(13)19-17(20)23/h3-4,8-9,12H,1-2,5-7,10-11H2,(H,18,21)(H,19,23)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37425
PNG
(2-(2-phenylethyl)-N-(1,2,4-triazol-4-yl)benzamide ...)
Show SMILES O=C(Nn1cnnc1)c1ccccc1CCc1ccccc1
Show InChI InChI=1S/C17H16N4O/c22-17(20-21-12-18-19-13-21)16-9-5-4-8-15(16)11-10-14-6-2-1-3-7-14/h1-9,12-13H,10-11H2,(H,20,22)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37427
PNG
(1-[7-(difluoromethyl)-5-(p-tolyl)pyrazolo[1,5-a]py...)
Show SMILES CCOC(=O)C1CCCN(C1)C(=O)c1cnn2c(cc(nc12)-c1ccc(C)cc1)C(F)F
Show InChI InChI=1S/C23H24F2N4O3/c1-3-32-23(31)16-5-4-10-28(13-16)22(30)17-12-26-29-19(20(24)25)11-18(27-21(17)29)15-8-6-14(2)7-9-15/h6-9,11-12,16,20H,3-5,10,13H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37429
PNG
(2-ethoxy-4-methyl-5-propan-2-yl-N-(2-pyridinylmeth...)
Show SMILES CCOc1cc(C)c(cc1S(=O)(=O)NCc1ccccn1)C(C)C
Show InChI InChI=1S/C18H24N2O3S/c1-5-23-17-10-14(4)16(13(2)3)11-18(17)24(21,22)20-12-15-8-6-7-9-19-15/h6-11,13,20H,5,12H2,1-4H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37443
PNG
(6-(1,3-benzothiazol-2-yl)-2-N,2-N-dimethyl-1,3,5-t...)
Show SMILES CN(C)c1nc(N)nc(n1)-c1nc2ccccc2s1
Show InChI InChI=1S/C12H12N6S/c1-18(2)12-16-9(15-11(13)17-12)10-14-7-5-3-4-6-8(7)19-10/h3-6H,1-2H3,(H2,13,15,16,17)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37462
PNG
(2-(3-chlorophenyl)-3-(3-fluorophenyl)-5,6,7,7a-tet...)
Show SMILES Fc1cccc(c1)C1N2CCCC2C(=O)N1c1cccc(Cl)c1
Show InChI InChI=1S/C18H16ClFN2O/c19-13-5-2-7-15(11-13)22-17(12-4-1-6-14(20)10-12)21-9-3-8-16(21)18(22)23/h1-2,4-7,10-11,16-17H,3,8-9H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37469
PNG
(4-(9-cyano-6-oxo-8-thiophen-2-yl-2,4,7,8-tetrahydr...)
Show SMILES CCOC(=O)c1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1cccs1
Show InChI InChI=1S/C21H19N3O3S2/c1-2-27-21(26)14-5-7-15(8-6-14)23-12-24-19(25)10-16(18-4-3-9-28-18)17(11-22)20(24)29-13-23/h3-9,16H,2,10,12-13H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37486
PNG
(3-methyl-8-(pentylthio)-7-(2-phenylethyl)purine-2,...)
Show SMILES CCCCCSc1nc2n(C)c(=O)[nH]c(=O)c2n1CCc1ccccc1
Show InChI InChI=1S/C19H24N4O2S/c1-3-4-8-13-26-19-20-16-15(17(24)21-18(25)22(16)2)23(19)12-11-14-9-6-5-7-10-14/h5-7,9-10H,3-4,8,11-13H2,1-2H3,(H,21,24,25)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37498
PNG
(MLS000100805 | N-(2-ethoxyphenyl)-1-phenyl-4-pyraz...)
Show SMILES CCOc1ccccc1Nc1ncnc2n(ncc12)-c1ccccc1
Show InChI InChI=1S/C19H17N5O/c1-2-25-17-11-7-6-10-16(17)23-18-15-12-22-24(19(15)21-13-20-18)14-8-4-3-5-9-14/h3-13H,2H2,1H3,(H,20,21,23)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM31342
PNG
(2-(4-Furan-2-ylmethyl-5-pyridin-3-yl-4H-[1,2,4]tri...)
Show SMILES O=C(CSc1nnc(-c2cccnc2)n1Cc1ccco1)N1c2ccccc2Sc2ccccc12
Show InChI InChI=1S/C26H19N5O2S2/c32-24(31-20-9-1-3-11-22(20)35-23-12-4-2-10-21(23)31)17-34-26-29-28-25(18-7-5-13-27-15-18)30(26)16-19-8-6-14-33-19/h1-15H,16-17H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37355
PNG
(4-[(3,3-dimethyl-5-oxidanylidene-cyclohexylidene)a...)
Show SMILES CC1(C)CC(=O)C=C(C1)Nc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C15H17NO3/c1-15(2)8-12(7-13(17)9-15)16-11-5-3-10(4-6-11)14(18)19/h3-7,16H,8-9H2,1-2H3,(H,18,19)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37360
PNG
(MLS000072645 | N'-[2-(cyclopentylamino)-2-keto-eth...)
Show SMILES Cc1cc(NC(=O)CCC(=O)N(CC(=O)NC2CCCC2)Cc2ccc(F)cc2)no1
Show InChI InChI=1S/C22H27FN4O4/c1-15-12-19(26-31-15)25-20(28)10-11-22(30)27(13-16-6-8-17(23)9-7-16)14-21(29)24-18-4-2-3-5-18/h6-9,12,18H,2-5,10-11,13-14H2,1H3,(H,24,29)(H,25,26,28)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM31369
PNG
(1-Allyl-4-((4-chloro-phenyl)-{1-[2-(3,4-dimethoxy-...)
Show SMILES COc1ccc(CCn2nnnc2C(N2CCN(CC=C)CC2)c2ccc(Cl)cc2)cc1OC
Show InChI InChI=1S/C25H31ClN6O2/c1-4-12-30-14-16-31(17-15-30)24(20-6-8-21(26)9-7-20)25-27-28-29-32(25)13-11-19-5-10-22(33-2)23(18-19)34-3/h4-10,18,24H,1,11-17H2,2-3H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37381
PNG
(2-amino-4-(4-chlorophenyl)-5-keto-6,7-dimethyl-4H-...)
Show SMILES COC(=O)C1C(c2ccc(Cl)cc2)c2c(OC1=N)cc(C)n(C)c2=O
Show InChI InChI=1S/C18H17ClN2O4/c1-9-8-12-14(17(22)21(9)2)13(10-4-6-11(19)7-5-10)15(16(20)25-12)18(23)24-3/h4-8,13,15,20H,1-3H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37383
PNG
(MLS000055987 | N-(1,1-diketothiolan-3-yl)-2-[ethyl...)
Show SMILES CCN(CC(=O)NC1CCS(=O)(=O)C1)c1nc(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C22H24N4O3S/c1-2-26(14-20(27)23-17-12-13-30(28,29)15-17)22-18-10-6-7-11-19(18)24-21(25-22)16-8-4-3-5-9-16/h3-11,17H,2,12-15H2,1H3,(H,23,27)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37388
PNG
(2-amino-4-(cyanomethyl)-6-(diisobutylamino)dinicot...)
Show SMILES CC(C)CN(CC(C)C)c1nc(N)c(C#N)c(CC#N)c1C#N
Show InChI InChI=1S/C17H22N6/c1-11(2)9-23(10-12(3)4)17-15(8-20)13(5-6-18)14(7-19)16(21)22-17/h11-12H,5,9-10H2,1-4H3,(H2,21,22)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM32778
PNG
(MLS000081703 | SMR000062919 | [2-(2-cyanoethyl)-5-...)
Show SMILES Cc1cc(OC(=O)c2ccccc2)n(CCC#N)n1
Show InChI InChI=1S/C14H13N3O2/c1-11-10-13(17(16-11)9-5-8-15)19-14(18)12-6-3-2-4-7-12/h2-4,6-7,10H,5,9H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37412
PNG
(2-[[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-benzimid...)
Show SMILES CCOC(=O)c1ccccc1NC(=O)Cn1c(nc2ccccc12)-c1nonc1N
Show InChI InChI=1S/C20H18N6O4/c1-2-29-20(28)12-7-3-4-8-13(12)22-16(27)11-26-15-10-6-5-9-14(15)23-19(26)17-18(21)25-30-24-17/h3-10H,2,11H2,1H3,(H2,21,25)(H,22,27)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37083
PNG
(MLS000087211 | N-(4-ethylphenyl)-5-(2-furanyl)-3-i...)
Show SMILES CCc1ccc(NC(=O)c2cc(on2)-c2ccco2)cc1
Show InChI InChI=1S/C16H14N2O3/c1-2-11-5-7-12(8-6-11)17-16(19)13-10-15(21-18-13)14-4-3-9-20-14/h3-10H,2H2,1H3,(H,17,19)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37424
PNG
(2-(3-chloro-2-methyl-anilino)-4,6-dimethyl-nicotin...)
Show SMILES Cc1cc(C)c(C(N)=O)c(Nc2cccc(Cl)c2C)n1
Show InChI InChI=1S/C15H16ClN3O/c1-8-7-9(2)18-15(13(8)14(17)20)19-12-6-4-5-11(16)10(12)3/h4-7H,1-3H3,(H2,17,20)(H,18,19)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM31346
PNG
((3E)-3-(6-ketocyclohexa-2,4-dien-1-ylidene)-N-[2-(...)
Show SMILES CSc1ccccc1NC(=O)C1CC(=NO1)c1ccccc1O
Show InChI InChI=1S/C17H16N2O3S/c1-23-16-9-5-3-7-12(16)18-17(21)15-10-13(19-22-15)11-6-2-4-8-14(11)20/h2-9,15,20H,10H2,1H3,(H,18,21)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37483
PNG
(8-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)-6-oxid...)
Show SMILES COc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1cccc(OC)c1OC
Show InChI InChI=1S/C23H23N3O4S/c1-28-16-9-7-15(8-10-16)25-13-26-21(27)11-18(19(12-24)23(26)31-14-25)17-5-4-6-20(29-2)22(17)30-3/h4-10,18H,11,13-14H2,1-3H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37504
PNG
(2-(2-thenoylamino)-4,5,6,7,8,9-hexahydrocycloocta[...)
Show SMILES NC(=O)c1c(NC(=O)c2cccs2)sc2CCCCCCc12
Show InChI InChI=1S/C16H18N2O2S2/c17-14(19)13-10-6-3-1-2-4-7-11(10)22-16(13)18-15(20)12-8-5-9-21-12/h5,8-9H,1-4,6-7H2,(H2,17,19)(H,18,20)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37512
PNG
(2-(2-pyridin-2-ylethylsulfanyl)acetic acid | 2-(2-...)
Show SMILES OC(=O)CSCCc1ccccn1
Show InChI InChI=1S/C9H11NO2S/c11-9(12)7-13-6-4-8-3-1-2-5-10-8/h1-3,5H,4,6-7H2,(H,11,12)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37350
PNG
(3-(2,2-Dimethyl-propionylamino)-9-aza-bicyclo[3.3....)
Show SMILES CCc1ccccc1NC(=O)N1C2CCCC1CC(C2)NC(=O)C(C)(C)C
Show InChI InChI=1S/C22H33N3O2/c1-5-15-9-6-7-12-19(15)24-21(27)25-17-10-8-11-18(25)14-16(13-17)23-20(26)22(2,3)4/h6-7,9,12,16-18H,5,8,10-11,13-14H2,1-4H3,(H,23,26)(H,24,27)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37372
PNG
(3-Amino-6-methoxy-thieno[2,3-b]quinoline-2-carboxy...)
Show SMILES COc1ccc2nc3sc(C(=O)NCc4cccs4)c(N)c3cc2c1
Show InChI InChI=1S/C18H15N3O2S2/c1-23-11-4-5-14-10(7-11)8-13-15(19)16(25-18(13)21-14)17(22)20-9-12-3-2-6-24-12/h2-8H,9,19H2,1H3,(H,20,22)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37380
PNG
(7-bromanyl-2-(furan-2-ylmethyl)-1-pyridin-3-yl-1H-...)
Show SMILES Brc1ccc2oc3C(=O)N(Cc4ccco4)C(c3c(=O)c2c1)c1cccnc1
Show InChI InChI=1S/C21H13BrN2O4/c22-13-5-6-16-15(9-13)19(25)17-18(12-3-1-7-23-10-12)24(21(26)20(17)28-16)11-14-4-2-8-27-14/h1-10,18H,11H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37384
PNG
(1-(benzenesulfonyl)-N-(4-phenyl-1,3-thiazol-2-yl)p...)
Show SMILES O=C(Nc1nc(cs1)-c1ccccc1)C1CCCCN1S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C21H21N3O3S2/c25-20(23-21-22-18(15-28-21)16-9-3-1-4-10-16)19-13-7-8-14-24(19)29(26,27)17-11-5-2-6-12-17/h1-6,9-12,15,19H,7-8,13-14H2,(H,22,23,25)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37387
PNG
(MLS000058437 | N-(4-fluorobenzyl)-4-keto-3-methyl-...)
Show SMILES Cn1nc(C(=O)NCc2ccc(F)cc2)c2ccccc2c1=O
Show InChI InChI=1S/C17H14FN3O2/c1-21-17(23)14-5-3-2-4-13(14)15(20-21)16(22)19-10-11-6-8-12(18)9-7-11/h2-9H,10H2,1H3,(H,19,22)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37393
PNG
(2-[3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin...)
Show SMILES O=C(CSc1nc2ccccc2c(=O)n1Cc1ccco1)NCc1ccccc1
Show InChI InChI=1S/C22H19N3O3S/c26-20(23-13-16-7-2-1-3-8-16)15-29-22-24-19-11-5-4-10-18(19)21(27)25(22)14-17-9-6-12-28-17/h1-12H,13-15H2,(H,23,26)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM34334
PNG
(MLS000055225 | N-[1,3-benzothiazol-2-yl(phenyl)pho...)
Show SMILES O=P(Nc1nccs1)(c1nc2ccccc2s1)c1ccccc1
Show InChI InChI=1S/C16H12N3OPS2/c20-21(12-6-2-1-3-7-12,19-15-17-10-11-22-15)16-18-13-8-4-5-9-14(13)23-16/h1-11H,(H,17,19,20)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37410
PNG
(MLS000092714 | N-cyclohexyl-3-(3,4,5-trimethoxyphe...)
Show SMILES COc1cc(cc(OC)c1OC)C1=NOC(C1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C19H26N2O5/c1-23-15-9-12(10-16(24-2)18(15)25-3)14-11-17(26-21-14)19(22)20-13-7-5-4-6-8-13/h9-10,13,17H,4-8,11H2,1-3H3,(H,20,22)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37437
PNG
(MLS000061720 | N-[3-(4-keto-3,1-benzoxazin-2-yl)ph...)
Show SMILES CC(=O)Nc1cccc(c1)-c1nc2ccccc2c(=O)o1
Show InChI InChI=1S/C16H12N2O3/c1-10(19)17-12-6-4-5-11(9-12)15-18-14-8-3-2-7-13(14)16(20)21-15/h2-9H,1H3,(H,17,19)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37440
PNG
(MLS000065807 | N-(1,2-oxazol-3-yl)-2-thiophen-2-yl...)
Show SMILES O=C(Cc1cccs1)Nc1ccon1
Show InChI InChI=1S/C9H8N2O2S/c12-9(6-7-2-1-5-14-7)10-8-3-4-13-11-8/h1-5H,6H2,(H,10,11,12)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37473
PNG
(MLS000118559 | N-(2-fluorophenyl)-2-[[4-methyl-5-[...)
Show SMILES Cn1c(Cn2c3ccccc3sc2=O)nnc1SCC(=O)Nc1ccccc1F
Show InChI InChI=1S/C19H16FN5O2S2/c1-24-16(10-25-14-8-4-5-9-15(14)29-19(25)27)22-23-18(24)28-11-17(26)21-13-7-3-2-6-12(13)20/h2-9H,10-11H2,1H3,(H,21,26)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37490
PNG
(6-(butylthio)-2-keto-4-(o-tolyl)-3,4-dihydro-1H-py...)
Show SMILES CCCCSC1=C(C#N)C(CC(=O)N1)c1ccccc1C
Show InChI InChI=1S/C17H20N2OS/c1-3-4-9-21-17-15(11-18)14(10-16(20)19-17)13-8-6-5-7-12(13)2/h5-8,14H,3-4,9-10H2,1-2H3,(H,19,20)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM31709
PNG
(4-amino-2-phenyl-isoindoline-1,3-quinone | 4-amino...)
Show SMILES Nc1cccc2C(=O)N(C(=O)c12)c1ccccc1
Show InChI InChI=1S/C14H10N2O2/c15-11-8-4-7-10-12(11)14(18)16(13(10)17)9-5-2-1-3-6-9/h1-8H,15H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37366
PNG
(2-[5-(4-Chloro-phenoxymethyl)-4-(2-methoxy-ethyl)-...)
Show SMILES COCCn1c(COc2ccc(Cl)cc2)nnc1SCC(N)=O
Show InChI InChI=1S/C14H17ClN4O3S/c1-21-7-6-19-13(17-18-14(19)23-9-12(16)20)8-22-11-4-2-10(15)3-5-11/h2-5H,6-9H2,1H3,(H2,16,20)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37369
PNG
(6-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]-...)
Show SMILES FC(F)(F)c1cccc(c1)-c1nnc2ccc(cn12)C(F)(F)F
Show InChI InChI=1S/C14H7F6N3/c15-13(16,17)9-3-1-2-8(6-9)12-22-21-11-5-4-10(7-23(11)12)14(18,19)20/h1-7H
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37370
PNG
(1-(4-methylphenyl)sulfonyl-3-azetidinone oxime | 1...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CC(NO)=C1
Show InChI InChI=1S/C10H12N2O3S/c1-8-2-4-10(5-3-8)16(14,15)12-6-9(7-12)11-13/h2-6,11,13H,7H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM31060
PNG
(1-cyclopentyl-3-(1-methyl-2-benzimidazolyl)-2-pyrr...)
Show SMILES Cn1c(nc2ccccc12)-c1c(N)n(C2CCCC2)c2nc3ccccc3nc12
Show InChI InChI=1S/C23H22N6/c1-28-18-13-7-6-12-17(18)27-22(28)19-20-23(26-16-11-5-4-10-15(16)25-20)29(21(19)24)14-8-2-3-9-14/h4-7,10-14H,2-3,8-9,24H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37395
PNG
(2-(1,3-benzothiazol-2-yl)-2-[1-(2-furanylmethyl)-2...)
Show SMILES CC1=CC(C=C(C)N1Cc1ccco1)=C(C#N)c1nc2ccccc2s1
Show InChI InChI=1S/C21H17N3OS/c1-14-10-16(11-15(2)24(14)13-17-6-5-9-25-17)18(12-22)21-23-19-7-3-4-8-20(19)26-21/h3-11H,13H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37408
PNG
(3-(2-furanylmethyl)-1-[(2-methylphenyl)methyl]quin...)
Show SMILES Cc1ccccc1Cn1c2ccccc2c(=O)n(Cc2ccco2)c1=O
Show InChI InChI=1S/C21H18N2O3/c1-15-7-2-3-8-16(15)13-22-19-11-5-4-10-18(19)20(24)23(21(22)25)14-17-9-6-12-26-17/h2-12H,13-14H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37417
PNG
(2-(3-keto-2,4-dihydro-1H-quinoxalin-2-yl)-N-(3-pyr...)
Show SMILES O=C(CC1Nc2ccccc2NC1=O)NCc1cccnc1
Show InChI InChI=1S/C16H16N4O2/c21-15(18-10-11-4-3-7-17-9-11)8-14-16(22)20-13-6-2-1-5-12(13)19-14/h1-7,9,14,19H,8,10H2,(H,18,21)(H,20,22)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37420
PNG
(1-[7-(4-chlorophenyl)-5-methyl-1,7-dihydro-[1,2,4]...)
Show SMILES CC(=O)C1C(c2ccc(Cl)cc2)n2ncnc2N=C1C
Show InChI InChI=1S/C14H13ClN4O/c1-8-12(9(2)20)13(10-3-5-11(15)6-4-10)19-14(18-8)16-7-17-19/h3-7,12-13H,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37351
PNG
(3-[2-(2,5-dimethoxyphenyl)-3-ethanoyl-4-oxidanyl-5...)
Show SMILES COc1ccc(OC)c(c1)C1C(C(C)=O)C(=O)C(=O)N1CCC(O)=O
Show InChI InChI=1S/C17H19NO7/c1-9(19)14-15(11-8-10(24-2)4-5-12(11)25-3)18(7-6-13(20)21)17(23)16(14)22/h4-5,8,14-15H,6-7H2,1-3H3,(H,20,21)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37363
PNG
(MLS000029158 | N-[2-(3,4-Dimethoxy-phenyl)-ethyl]-...)
Show SMILES COc1ccc(CCN(C(=O)c2ccccc2)C2=CC3CCC(C2)N3C)cc1OC
Show InChI InChI=1S/C25H30N2O3/c1-26-20-10-11-21(26)17-22(16-20)27(25(28)19-7-5-4-6-8-19)14-13-18-9-12-23(29-2)24(15-18)30-3/h4-9,12,15-16,20-21H,10-11,13-14,17H2,1-3H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37371
PNG
((3,5-Dimethoxy-phenyl)-[4-(propane-1-sulfonyl)-pip...)
Show SMILES CCCS(=O)(=O)N1CCN(CC1)C(=O)c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C16H24N2O5S/c1-4-9-24(20,21)18-7-5-17(6-8-18)16(19)13-10-14(22-2)12-15(11-13)23-3/h10-12H,4-9H2,1-3H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37377
PNG
(2-[2-(4-aminophenyl)sulfanylethyl]isoindole-1,3-di...)
Show SMILES Nc1ccc(SCCN2C(=O)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C16H14N2O2S/c17-11-5-7-12(8-6-11)21-10-9-18-15(19)13-3-1-2-4-14(13)16(18)20/h1-8H,9-10,17H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37390
PNG
(1-(1,2,3,4-tetrahydronaphthalen-1-yloxy)-3-(4-thio...)
Show SMILES OC(COC1CCCc2ccccc12)CN1CCN(CC1)S(=O)(=O)c1cccs1
Show InChI InChI=1S/C21H28N2O4S2/c24-18(16-27-20-8-3-6-17-5-1-2-7-19(17)20)15-22-10-12-23(13-11-22)29(25,26)21-9-4-14-28-21/h1-2,4-5,7,9,14,18,20,24H,3,6,8,10-13,15-16H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37391
PNG
((Z)-1-(4-bromophenyl)-2-[[5-(phenylmethyl)-1,3,4-o...)
Show SMILES Brc1ccc(cc1)C(=O)CSc1nnc(Cc2ccccc2)o1
Show InChI InChI=1S/C17H13BrN2O2S/c18-14-8-6-13(7-9-14)15(21)11-23-17-20-19-16(22-17)10-12-4-2-1-3-5-12/h1-9H,10-11H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37394
PNG
(1-[2-(2,5-dimethylphenyl)-2-keto-ethyl]pyrrolidine...)
Show SMILES Cc1ccc(C)c(c1)C(=O)CN1C(=O)CCC1=O
Show InChI InChI=1S/C14H15NO3/c1-9-3-4-10(2)11(7-9)12(16)8-15-13(17)5-6-14(15)18/h3-4,7H,5-6,8H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37405
PNG
(2-[[5-(2-bromophenyl)-4-keto-1H-pyrazolo[3,4-d]pyr...)
Show SMILES Brc1ccccc1-n1c(SCC(=O)NCc2ccco2)nc2n[nH]cc2c1=O
Show InChI InChI=1S/C18H14BrN5O3S/c19-13-5-1-2-6-14(13)24-17(26)12-9-21-23-16(12)22-18(24)28-10-15(25)20-8-11-4-3-7-27-11/h1-7,9H,8,10H2,(H,20,25)(H,21,23)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37442
PNG
(MLS000063716 | N-(2-furanyl)-3-[(1-oxo-2-thiophen-...)
Show SMILES O=C(Cc1cccs1)Nc1cccc(c1)C(=O)Nc1ccco1
Show InChI InChI=1S/C17H14N2O3S/c20-15(11-14-6-3-9-23-14)18-13-5-1-4-12(10-13)17(21)19-16-7-2-8-22-16/h1-10H,11H2,(H,18,20)(H,19,21)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37456
PNG
(6-cyclopropyl-2-keto-4-(trifluoromethyl)-1H-pyridi...)
Show SMILES FC(F)(F)c1cc([nH]c(=O)c1C#N)C1CC1
Show InChI InChI=1S/C10H7F3N2O/c11-10(12,13)7-3-8(5-1-2-5)15-9(16)6(7)4-14/h3,5H,1-2H2,(H,15,16)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37475
PNG
(MLS000118200 | N-[2-(1-cyclohexenyl)ethyl]-2-[(1,3...)
Show SMILES CN(CC(=O)NCCC1=CCCCC1)S(=O)(=O)c1ccc2n(C)c(=O)n(C)c(=O)c2c1
Show InChI InChI=1S/C21H28N4O5S/c1-23(14-19(26)22-12-11-15-7-5-4-6-8-15)31(29,30)16-9-10-18-17(13-16)20(27)25(3)21(28)24(18)2/h7,9-10,13H,4-6,8,11-12,14H2,1-3H3,(H,22,26)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37476
PNG
(1-(4-Chloro-phenyl)-2-(3,4-dihydro-2H-benzo[4,5]im...)
Show SMILES OC(CN1C2=NCCCN2c2ccccc12)c1ccc(Cl)cc1
Show InChI InChI=1S/C18H18ClN3O/c19-14-8-6-13(7-9-14)17(23)12-22-16-5-2-1-4-15(16)21-11-3-10-20-18(21)22/h1-2,4-9,17,23H,3,10-12H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37481
PNG
(MLS000117448 | N-butyl-6-(dimethylsulfamoyl)-4-ket...)
Show SMILES CCCCN(C)C(=O)c1cn(C)c2ccc(cc2c1=O)S(=O)(=O)N(C)C
Show InChI InChI=1S/C18H25N3O4S/c1-6-7-10-20(4)18(23)15-12-21(5)16-9-8-13(11-14(16)17(15)22)26(24,25)19(2)3/h8-9,11-12H,6-7,10H2,1-5H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37487
PNG
(MLS000102738 | N-[2-[4-(2-fluorophenyl)-1-piperazi...)
Show SMILES COC(=O)NCC(N1CCN(CC1)c1ccccc1F)c1cccnc1
Show InChI InChI=1S/C19H23FN4O2/c1-26-19(25)22-14-18(15-5-4-8-21-13-15)24-11-9-23(10-12-24)17-7-3-2-6-16(17)20/h2-8,13,18H,9-12,14H2,1H3,(H,22,25)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37495
PNG
(6-methyl-2-(2-thenoylamino)thieno[2,3-d]thiazole-5...)
Show SMILES CCOC(=O)c1sc2nc(NC(=O)c3cccs3)sc2c1C
Show InChI InChI=1S/C14H12N2O3S3/c1-3-19-13(18)10-7(2)9-12(21-10)16-14(22-9)15-11(17)8-5-4-6-20-8/h4-6H,3H2,1-2H3,(H,15,16,17)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37497
PNG
(2-[[5-[(1-methyl-2-pyrrolyl)methyl]-4-[3-(trifluor...)
Show SMILES Cc1nnc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2cccc(c2)C(F)(F)F)s1
Show InChI InChI=1S/C20H18F3N7OS2/c1-12-25-27-18(33-12)24-17(31)11-32-19-28-26-16(10-14-7-4-8-29(14)2)30(19)15-6-3-5-13(9-15)20(21,22)23/h3-9H,10-11H2,1-2H3,(H,24,27,31)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37508
PNG
(1-methyl-N-(2-methyl-4-oxidanylidene-quinazolin-3-...)
Show SMILES Cc1nc2ccccc2c(=O)n1NC(=O)c1c(O)c2ccccc2n(C)c1=O
Show InChI InChI=1S/C20H16N4O4/c1-11-21-14-9-5-3-7-12(14)19(27)24(11)22-18(26)16-17(25)13-8-4-6-10-15(13)23(2)20(16)28/h3-10,25H,1-2H3,(H,22,26)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37510
PNG
(6-methyl-2-phenyl-1H-quinolin-4-one | 6-methyl-2-p...)
Show SMILES Cc1ccc2nc(cc(O)c2c1)-c1ccccc1
Show InChI InChI=1S/C16H13NO/c1-11-7-8-14-13(9-11)16(18)10-15(17-14)12-5-3-2-4-6-12/h2-10H,1H3,(H,17,18)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37516
PNG
(2-[2-[1-(2-furoyl)-5-methoxy-indol-3-yl]ethyl]isoi...)
Show SMILES COc1ccc2n(cc(CCN3C(=O)c4ccccc4C3=O)c2c1)C(=O)c1ccco1
Show InChI InChI=1S/C24H18N2O5/c1-30-16-8-9-20-19(13-16)15(14-26(20)24(29)21-7-4-12-31-21)10-11-25-22(27)17-5-2-3-6-18(17)23(25)28/h2-9,12-14H,10-11H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37356
PNG
(1-Phenyl-2-(5-pyridin-4-yl-4H-[1,2,4]triazol-3-yls...)
Show SMILES O=C(CSc1nnc([nH]1)-c1ccncc1)c1ccccc1
Show InChI InChI=1S/C15H12N4OS/c20-13(11-4-2-1-3-5-11)10-21-15-17-14(18-19-15)12-6-8-16-9-7-12/h1-9H,10H2,(H,17,18,19)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM34278
PNG
(1-(3,4-dihydroxyphenyl)-2-[[4-ethyl-5-(2-methoxyph...)
Show SMILES CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccccc1OC
Show InChI InChI=1S/C19H19N3O4S/c1-3-22-18(13-6-4-5-7-17(13)26-2)20-21-19(22)27-11-16(25)12-8-9-14(23)15(24)10-12/h4-10,23-24H,3,11H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM26265
PNG
((5S)-6-(5-chloropyridin-2-yl)-7-oxo-5H,6H,7H-pyrro...)
Show SMILES CN1CCN(CC1)C(=O)Oc1n(-c2ccc(Cl)cn2)c(=O)c2ncc[nH]c12
Show InChI InChI=1S/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,20H,6-9H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM50059296
PNG
(9,10,10-Trioxo-9,10-dihydro-10lambda*6*-thioxanthe...)
Show SMILES CCNC(=O)c1ccc2C(=O)c3ccccc3S(=O)(=O)c2c1
Show InChI InChI=1S/C16H13NO4S/c1-2-17-16(19)10-7-8-12-14(9-10)22(20,21)13-6-4-3-5-11(13)15(12)18/h3-9H,2H2,1H3,(H,17,19)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37396
PNG
(1-[2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)...)
Show SMILES COC(=O)C1CCN(CC1)C(=O)COc1cc2sc(C)nc2c2sccc12
Show InChI InChI=1S/C19H20N2O4S2/c1-11-20-17-15(27-11)9-14(13-5-8-26-18(13)17)25-10-16(22)21-6-3-12(4-7-21)19(23)24-2/h5,8-9,12H,3-4,6-7,10H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37399
PNG
(4-acetyl-3-ethyl-N-(2-methoxy-5-methyl-phenyl)-5-m...)
Show SMILES CCc1c([nH]c(C)c1C(C)=O)C(=O)Nc1cc(C)ccc1OC
Show InChI InChI=1S/C18H22N2O3/c1-6-13-16(12(4)21)11(3)19-17(13)18(22)20-14-9-10(2)7-8-15(14)23-5/h7-9,19H,6H2,1-5H3,(H,20,22)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37411
PNG
(8-ethoxy-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-benzo...)
Show SMILES CCOc1cccc2cc(-c3nnc(o3)-c3ccccc3)c(=O)oc12
Show InChI InChI=1S/C19H14N2O4/c1-2-23-15-10-6-9-13-11-14(19(22)24-16(13)15)18-21-20-17(25-18)12-7-4-3-5-8-12/h3-11H,2H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37428
PNG
(MLS000061791 | SMR000070264 | [5-(1-methyl-1H-benz...)
Show SMILES Cn1c(nc2ccccc12)-c1ccc(s1)C(=O)c1ccccc1
Show InChI InChI=1S/C19H14N2OS/c1-21-15-10-6-5-9-14(15)20-19(21)17-12-11-16(23-17)18(22)13-7-3-2-4-8-13/h2-12H,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37433
PNG
(3-cyclohexyl-N-(4-pyridinylmethyl)propanamide | 3-...)
Show SMILES O=C(CCC1CCCCC1)NCc1ccncc1
Show InChI InChI=1S/C15H22N2O/c18-15(7-6-13-4-2-1-3-5-13)17-12-14-8-10-16-11-9-14/h8-11,13H,1-7,12H2,(H,17,18)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37444
PNG
(MLS000050648 | N-(3-acetamidophenyl)-2-(1-methylte...)
Show SMILES CC(=O)Nc1cccc(NC(=O)CSc2nnnn2C)c1
Show InChI InChI=1S/C12H14N6O2S/c1-8(19)13-9-4-3-5-10(6-9)14-11(20)7-21-12-15-16-17-18(12)2/h3-6H,7H2,1-2H3,(H,13,19)(H,14,20)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37459
PNG
(2-(4-chlorophenyl)-1-(2-methylsulfanyl-4,5-dihydro...)
Show SMILES CSC1=NCCN1C(=O)Cc1ccc(Cl)cc1
Show InChI InChI=1S/C12H13ClN2OS/c1-17-12-14-6-7-15(12)11(16)8-9-2-4-10(13)5-3-9/h2-5H,6-8H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37460
PNG
(2-(4-methyl-1-piperazinyl)-N-(2,4,6-trimethylpheny...)
Show SMILES CN1CCN(CC(=O)Nc2c(C)cc(C)cc2C)CC1
Show InChI InChI=1S/C16H25N3O/c1-12-9-13(2)16(14(3)10-12)17-15(20)11-19-7-5-18(4)6-8-19/h9-10H,5-8,11H2,1-4H3,(H,17,20)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37467
PNG
(5-(4-fluorobenzyl)-N-piperonyl-1,3,4-oxadiazole-2-...)
Show SMILES Fc1ccc(Cc2nnc(o2)C(=O)NCc2ccc3OCOc3c2)cc1
Show InChI InChI=1S/C18H14FN3O4/c19-13-4-1-11(2-5-13)8-16-21-22-18(26-16)17(23)20-9-12-3-6-14-15(7-12)25-10-24-14/h1-7H,8-10H2,(H,20,23)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37468
PNG
(2-[[2-(3-methoxyphenyl)-5-methyl-oxazol-4-yl]methy...)
Show SMILES CCC(C)NC(=O)CS(=O)(=O)Cc1nc(oc1C)-c1cccc(OC)c1
Show InChI InChI=1S/C18H24N2O5S/c1-5-12(2)19-17(21)11-26(22,23)10-16-13(3)25-18(20-16)14-7-6-8-15(9-14)24-4/h6-9,12H,5,10-11H2,1-4H3,(H,19,21)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37479
PNG
(3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl...)
Show SMILES CCn1cc(C(=O)N2CCn3c(C2)nc2ccccc32)c(=O)c2ccc(C)nc12
Show InChI InChI=1S/C22H21N5O2/c1-3-25-12-16(20(28)15-9-8-14(2)23-21(15)25)22(29)26-10-11-27-18-7-5-4-6-17(18)24-19(27)13-26/h4-9,12H,3,10-11,13H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37194
PNG
(1-(3,4-dimethoxyphenyl)sulfonyl-4-(2,4-dimethylphe...)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)N1CCN(CC1)c1ccc(C)cc1C
Show InChI InChI=1S/C20H26N2O4S/c1-15-5-7-18(16(2)13-15)21-9-11-22(12-10-21)27(23,24)17-6-8-19(25-3)20(14-17)26-4/h5-8,13-14H,9-12H2,1-4H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37484
PNG
(1-cyclopentyl-5-oxidanylidene-N-[3-[4-(phenylmethy...)
Show SMILES O=C(NCCCN1CCC(Cc2ccccc2)CC1)C1CN(C2CCCC2)C(=O)C1
Show InChI InChI=1S/C25H37N3O2/c29-24-18-22(19-28(24)23-9-4-5-10-23)25(30)26-13-6-14-27-15-11-21(12-16-27)17-20-7-2-1-3-8-20/h1-3,7-8,21-23H,4-6,9-19H2,(H,26,30)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37488
PNG
(MLS000103400 | N-[4-(3,5-dimethylpyrazol-1-yl)carb...)
Show SMILES Cc1cc(C)n(n1)C(=O)c1ccc(NC(=O)C2CC2)cc1
Show InChI InChI=1S/C16H17N3O2/c1-10-9-11(2)19(18-10)16(21)13-5-7-14(8-6-13)17-15(20)12-3-4-12/h5-9,12H,3-4H2,1-2H3,(H,17,20)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37514
PNG
(3-methyl-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl...)
Show SMILES CC(C)CC(=O)Nc1ccc(cc1)-c1nc2cc(C)ccc2o1
Show InChI InChI=1S/C19H20N2O2/c1-12(2)10-18(22)20-15-7-5-14(6-8-15)19-21-16-11-13(3)4-9-17(16)23-19/h4-9,11-12H,10H2,1-3H3,(H,20,22)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37376
PNG
(MLS000042779 | N-[1,3-benzothiazol-2-ylimino-(1-ox...)
Show SMILES CCC(=O)NC(NC(=O)CC)=Nc1nc2ccccc2s1
Show InChI InChI=1S/C14H16N4O2S/c1-3-11(19)16-13(17-12(20)4-2)18-14-15-9-7-5-6-8-10(9)21-14/h5-8H,3-4H2,1-2H3,(H2,15,16,17,18,19,20)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM36959
PNG
(5-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-1,2,4-...)
Show SMILES COc1ccc(cc1OC)-c1nc(no1)-c1ccccc1OC
Show InChI InChI=1S/C17H16N2O4/c1-20-13-7-5-4-6-12(13)16-18-17(23-19-16)11-8-9-14(21-2)15(10-11)22-3/h4-10H,1-3H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37392
PNG
(MLS000053426 | N-[3-[(4-fluorophenyl)sulfonylamino...)
Show SMILES COc1ccc2c(CC(=O)Nc3ccc(OC)c(NS(=O)(=O)c4ccc(F)cc4)c3)coc2c1
Show InChI InChI=1S/C24H21FN2O6S/c1-31-18-6-9-20-15(14-33-23(20)13-18)11-24(28)26-17-5-10-22(32-2)21(12-17)27-34(29,30)19-7-3-16(25)4-8-19/h3-10,12-14,27H,11H2,1-2H3,(H,26,28)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37400
PNG
(1-(3-tert-butyl-1,2-oxazol-5-yl)-3-methyl-urea | 1...)
Show SMILES CNC(=O)Nc1cc(no1)C(C)(C)C
Show InChI InChI=1S/C9H15N3O2/c1-9(2,3)6-5-7(14-12-6)11-8(13)10-4/h5H,1-4H3,(H2,10,11,13)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37403
PNG
(3-(2-furyl)-N-homoveratryl-3-[(4-methoxyphenyl)sul...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NC(CC(=O)NCCc1ccc(OC)c(OC)c1)c1ccco1
Show InChI InChI=1S/C24H28N2O7S/c1-30-18-7-9-19(10-8-18)34(28,29)26-20(21-5-4-14-33-21)16-24(27)25-13-12-17-6-11-22(31-2)23(15-17)32-3/h4-11,14-15,20,26H,12-13,16H2,1-3H3,(H,25,27)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37409
PNG
(3-(4-methylbenzyl)sulfonyl-N-(3-pyrrolidinopropyl)...)
Show SMILES Cc1ccc(CS(=O)(=O)CCC(=O)NCCCN2CCCC2)cc1
Show InChI InChI=1S/C18H28N2O3S/c1-16-5-7-17(8-6-16)15-24(22,23)14-9-18(21)19-10-4-13-20-11-2-3-12-20/h5-8H,2-4,9-15H2,1H3,(H,19,21)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37413
PNG
(7-methoxy-N-(3-pyridinylmethyl)-4,5-dihydrobenzo[g...)
Show SMILES COc1ccc2-c3onc(C(=O)NCc4cccnc4)c3CCc2c1
Show InChI InChI=1S/C19H17N3O3/c1-24-14-5-7-15-13(9-14)4-6-16-17(22-25-18(15)16)19(23)21-11-12-3-2-8-20-10-12/h2-3,5,7-10H,4,6,11H2,1H3,(H,21,23)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37415
PNG
(4-amino-3-ethyl-N-(3-pyridinylmethyl)-2-sulfanylid...)
Show SMILES CCn1c(N)c(sc1=S)C(=O)NCc1cccnc1
Show InChI InChI=1S/C12H14N4OS2/c1-2-16-10(13)9(19-12(16)18)11(17)15-7-8-4-3-5-14-6-8/h3-6H,2,7,13H2,1H3,(H,15,17)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37421
PNG
(4-[2-(2-furfuryl)-1,3-diketo-isoindolin-5-yl]sulfo...)
Show SMILES OC(=O)c1ccc(cc1)S(=O)(=O)c1ccc2C(=O)N(Cc3ccco3)C(=O)c2c1
Show InChI InChI=1S/C20H13NO7S/c22-18-16-8-7-15(29(26,27)14-5-3-12(4-6-14)20(24)25)10-17(16)19(23)21(18)11-13-2-1-9-28-13/h1-10H,11H2,(H,24,25)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37441
PNG
(3,4-dimethoxy-N-(4-methyl-2-pyridinyl)benzenesulfo...)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)Nc1cc(C)ccn1
Show InChI InChI=1S/C14H16N2O4S/c1-10-6-7-15-14(8-10)16-21(17,18)11-4-5-12(19-2)13(9-11)20-3/h4-9H,1-3H3,(H,15,16)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37455
PNG
(1-phenyl-N-(2-pyridinylmethyl)methanesulfonamide |...)
Show SMILES O=S(=O)(Cc1ccccc1)NCc1ccccn1
Show InChI InChI=1S/C13H14N2O2S/c16-18(17,11-12-6-2-1-3-7-12)15-10-13-8-4-5-9-14-13/h1-9,15H,10-11H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37457
PNG
(7-(dimethylamino)-3,5-dimethyl-2-thiazolo[4,5-d]py...)
Show SMILES CN(C)c1nc(C)nc2n(C)c(=S)sc12
Show InChI InChI=1S/C9H12N4S2/c1-5-10-7(12(2)3)6-8(11-5)13(4)9(14)15-6/h1-4H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37458
PNG
(1-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-dichlorophen...)
Show SMILES Clc1ccc(Cl)c(c1)S(=O)(=O)N1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C18H18Cl2N2O4S/c19-14-2-3-15(20)18(10-14)27(23,24)22-7-5-21(6-8-22)11-13-1-4-16-17(9-13)26-12-25-16/h1-4,9-10H,5-8,11-12H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37474
PNG
(1-(4-methoxy-3-methyl-phenyl)sulfonyl-4-methyl-pip...)
Show SMILES COc1ccc(cc1C)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C13H20N2O3S/c1-11-10-12(4-5-13(11)18-3)19(16,17)15-8-6-14(2)7-9-15/h4-5,10H,6-9H2,1-3H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37480
PNG
(5-ethyl-2-(pyrrolidine-1-carbonyl)thieno[3,2-c]qui...)
Show SMILES CCn1c2ccccc2c2sc(cc2c1=O)C(=O)N1CCCC1
Show InChI InChI=1S/C18H18N2O2S/c1-2-20-14-8-4-3-7-12(14)16-13(17(20)21)11-15(23-16)18(22)19-9-5-6-10-19/h3-4,7-8,11H,2,5-6,9-10H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37485
PNG
(3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxidanylid...)
Show SMILES CC1Cc2ccccc2N1C(=O)Cn1c2ccc(cc2oc1=O)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C23H25N3O5S/c1-16-13-17-7-3-4-8-19(17)26(16)22(27)15-25-20-10-9-18(14-21(20)31-23(25)28)32(29,30)24-11-5-2-6-12-24/h3-4,7-10,14,16H,2,5-6,11-13,15H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37489
PNG
(Cyclohexanecarboxylic acid (5-isopropyl-[1,3,4]thi...)
Show SMILES CC(C)c1nnc(NC(=O)C2CCCCC2)s1
Show InChI InChI=1S/C12H19N3OS/c1-8(2)11-14-15-12(17-11)13-10(16)9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H,13,15,16)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37493
PNG
(7-(4-fluorobenzyl)-1,3-dimethyl-8-(propylamino)xan...)
Show SMILES CCCNc1nc2n(C)c(=O)n(C)c(=O)c2n1Cc1ccc(F)cc1
Show InChI InChI=1S/C17H20FN5O2/c1-4-9-19-16-20-14-13(15(24)22(3)17(25)21(14)2)23(16)10-11-5-7-12(18)8-6-11/h5-8H,4,9-10H2,1-3H3,(H,19,20)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37505
PNG
(5-[2-(2,5-dichlorophenyl)sulfonylethyl]-1,3,4-thia...)
Show SMILES Nc1nnc(CCS(=O)(=O)c2cc(Cl)ccc2Cl)s1
Show InChI InChI=1S/C10H9Cl2N3O2S2/c11-6-1-2-7(12)8(5-6)19(16,17)4-3-9-14-15-10(13)18-9/h1-2,5H,3-4H2,(H2,13,15)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37511
PNG
(MLS000105818 | N-[2-(2-furoylamino)phenyl]-2-furam...)
Show SMILES O=C(Nc1ccccc1NC(=O)c1ccco1)c1ccco1
Show InChI InChI=1S/C16H12N2O4/c19-15(13-7-3-9-21-13)17-11-5-1-2-6-12(11)18-16(20)14-8-4-10-22-14/h1-10H,(H,17,19)(H,18,20)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37378
PNG
(7-methyl-2-(4-methyl-2-pyridinyl)-1-(3,4,5-trimeth...)
Show SMILES COc1cc(cc(OC)c1OC)C1N(C(=O)c2oc3ccc(C)cc3c(=O)c12)c1cc(C)ccn1
Show InChI InChI=1S/C27H24N2O6/c1-14-6-7-18-17(10-14)24(30)22-23(16-12-19(32-3)25(34-5)20(13-16)33-4)29(27(31)26(22)35-18)21-11-15(2)8-9-28-21/h6-13,23H,1-5H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37386
PNG
(2-keto-N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[...)
Show SMILES O=c1[nH]c2ccc(cc2o1)S(=O)(=O)Nc1ccc(cc1)-c1nnc2CCCCCn12
Show InChI InChI=1S/C20H19N5O4S/c26-20-21-16-10-9-15(12-17(16)29-20)30(27,28)24-14-7-5-13(6-8-14)19-23-22-18-4-2-1-3-11-25(18)19/h5-10,12,24H,1-4,11H2,(H,21,26)
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n/an/a>4.98E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37397
PNG
(4-tert-butyl-N-(3-pyridinylmethyl)benzamide | 4-te...)
Show SMILES CC(C)(C)c1ccc(cc1)C(=O)NCc1cccnc1
Show InChI InChI=1S/C17H20N2O/c1-17(2,3)15-8-6-14(7-9-15)16(20)19-12-13-5-4-10-18-11-13/h4-11H,12H2,1-3H3,(H,19,20)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37407
PNG
(MLS000092579 | N-[1-(4-phenyl-1-piperazinyl)-1-thi...)
Show SMILES CC(NC(C)=O)C(N1CCN(CC1)c1ccccc1)c1cccs1
Show InChI InChI=1S/C19H25N3OS/c1-15(20-16(2)23)19(18-9-6-14-24-18)22-12-10-21(11-13-22)17-7-4-3-5-8-17/h3-9,14-15,19H,10-13H2,1-2H3,(H,20,23)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37416
PNG
(5-(4-chlorophenyl)-3-[(1-methyl-3-indolyl)methylid...)
Show SMILES Cn1cc(C=Nn2cnc3scc(-c4ccc(Cl)cc4)c3c2=O)c2ccccc12
Show InChI InChI=1S/C22H15ClN4OS/c1-26-11-15(17-4-2-3-5-19(17)26)10-25-27-13-24-21-20(22(27)28)18(12-29-21)14-6-8-16(23)9-7-14/h2-13H,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM37423
PNG
(3-[3-(4-cyclohexyl-1-piperazinyl)propyl]-2-sulfany...)
Show SMILES O=c1n(CCCN2CCN(CC2)C2CCCCC2)c(=S)[nH]c2ccccc12
Show InChI InChI=1S/C21H30N4OS/c26-20-18-9-4-5-10-19(18)22-21(27)25(20)12-6-11-23-13-15-24(16-14-23)17-7-2-1-3-8-17/h4-5,9-10,17H,1-3,6-8,11-16H2,(H,22,27)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2XD102D
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%