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PubChem AID 468

Compile Data Set for Download or QSAR

Found 508 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


(Homo sapiens (Human))
BDBM36816
PNG
(1-(2-Ethyl-piperidin-1-yl)-2-[5-(1H-indol-3-yl)-[1...)
Show SMILES CCC1CCCCN1C(=O)CSc1nnc(o1)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C19H22N4O2S/c1-2-13-7-5-6-10-23(13)17(24)12-26-19-22-21-18(25-19)15-11-20-16-9-4-3-8-14(15)16/h3-4,8-9,11,13,20H,2,5-7,10,12H2,1H3
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n/an/an/an/a 5.90E+3n/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/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM36824
PNG
(1-(4-Ethoxy-benzenesulfonyl)-5,6-dimethyl-1H-benzo...)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)n1cnc2cc(C)c(C)cc12
Show InChI InChI=1S/C17H18N2O3S/c1-4-22-14-5-7-15(8-6-14)23(20,21)19-11-18-16-9-12(2)13(3)10-17(16)19/h5-11H,4H2,1-3H3
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n/an/an/an/a 6.73E+3n/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/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM36829
PNG
(5-Phenyl-7-[4-(5-trifluoromethyl-pyridin-2-yl)-pip...)
Show SMILES FC(F)(F)c1ccc(nc1)N1CCN(CC1)c1cc(nc2ncnn12)-c1ccccc1
Show InChI InChI=1S/C21H18F3N7/c22-21(23,24)16-6-7-18(25-13-16)29-8-10-30(11-9-29)19-12-17(15-4-2-1-3-5-15)28-20-26-14-27-31(19)20/h1-7,12-14H,8-11H2
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n/an/an/an/a 3.19E+4n/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/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM36832
PNG
(1H-[1,2,4]Triazole-3-carboxylic acid (3-chloro-4-p...)
Show SMILES Clc1cc(NC(=O)c2nnc[nH]2)ccc1N1CCCCC1
Show InChI InChI=1S/C14H16ClN5O/c15-11-8-10(18-14(21)13-16-9-17-19-13)4-5-12(11)20-6-2-1-3-7-20/h4-5,8-9H,1-3,6-7H2,(H,18,21)(H,16,17,19)
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n/an/an/an/a 857n/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/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM36838
PNG
(1-ethenylsulfonyl-4-(4-ethenylsulfonylphenoxy)benz...)
Show SMILES C=CS(=O)(=O)c1ccc(Oc2ccc(cc2)S(=O)(=O)C=C)cc1
Show InChI InChI=1S/C16H14O5S2/c1-3-22(17,18)15-9-5-13(6-10-15)21-14-7-11-16(12-8-14)23(19,20)4-2/h3-12H,1-2H2
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n/an/an/an/a 2.74E+3n/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/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM36844
PNG
(1-(3-Fluoro-4-methoxy-phenyl)-3-morpholin-4-yl-2-p...)
Show SMILES COc1ccc(cc1F)C(=O)C(CN1CCOCC1)c1ccccc1
Show InChI InChI=1S/C20H22FNO3/c1-24-19-8-7-16(13-18(19)21)20(23)17(15-5-3-2-4-6-15)14-22-9-11-25-12-10-22/h2-8,13,17H,9-12,14H2,1H3
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n/an/an/an/a 2.25E+4n/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/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM36845
PNG
(5-tert-Butyl-2-methyl-2H-pyrazole-3-carboxylic aci...)
Show SMILES Cn1nc(cc1C(=O)NCc1ccc(cc1)N1CCCC1=O)C(C)(C)C
Show InChI InChI=1S/C20H26N4O2/c1-20(2,3)17-12-16(23(4)22-17)19(26)21-13-14-7-9-15(10-8-14)24-11-5-6-18(24)25/h7-10,12H,5-6,11,13H2,1-4H3,(H,21,26)
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n/an/an/an/a 3.86E+3n/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/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM36853
PNG
(MLS000034488 | N-tert-Butyl-2-[3-(2-chloro-benzyl)...)
Show SMILES CC(C)(C)NC(=O)CSc1ncnc2n(Cc3ccccc3Cl)nnc12
Show InChI InChI=1S/C17H19ClN6OS/c1-17(2,3)21-13(25)9-26-16-14-15(19-10-20-16)24(23-22-14)8-11-6-4-5-7-12(11)18/h4-7,10H,8-9H2,1-3H3,(H,21,25)
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n/an/an/an/a 9.40E+3n/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/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM36880
PNG
(2,2'-THIOBIS(4,6-DICHLOROPHENOL) | 2,4-dichlor...)
Show SMILES Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1O
Show InChI InChI=1S/C12H6Cl4O2S/c13-5-1-7(15)11(17)9(3-5)19-10-4-6(14)2-8(16)12(10)18/h1-4,17-18H
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n/an/an/an/a 1.02E+3n/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/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM36888
PNG
(4-(3,4-dihydro-1H-isoquinolin-2-yl)-5H-pyrimid[5,4...)
Show SMILES C1Cc2ccccc2CN1c1ncnc2c3ccccc3[nH]c12
Show InChI InChI=1S/C19H16N4/c1-2-6-14-11-23(10-9-13(14)5-1)19-18-17(20-12-21-19)15-7-3-4-8-16(15)22-18/h1-8,12,22H,9-11H2
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n/an/an/an/a 1.19E+3n/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/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM36891
PNG
(1-[1-(4-methoxyphenyl)-2-methyl-5-oxidanyl-indol-3...)
Show SMILES COc1ccc(cc1)-n1c(C)c(C(C)=O)c2cc(O)ccc12
Show InChI InChI=1S/C18H17NO3/c1-11-18(12(2)20)16-10-14(21)6-9-17(16)19(11)13-4-7-15(22-3)8-5-13/h4-10,21H,1-3H3
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n/an/an/an/a 1.56E+4n/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/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM36898
PNG
(MLS000078404 | SMR000040621 | [4-(8-bromanyl-5H-py...)
Show SMILES Brc1ccc2[nH]c3c(ncnc3c2c1)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H16BrN5O2/c20-12-3-4-14-13(10-12)16-17(23-14)18(22-11-21-16)24-5-7-25(8-6-24)19(26)15-2-1-9-27-15/h1-4,9-11,23H,5-8H2
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n/an/an/an/a 1.39E+4n/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/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM36910
PNG
(2-(4-keto-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)-1...)
Show SMILES NC(Nc1ccccc1)=Nc1nc2CCCCc2c(=O)[nH]1
Show InChI InChI=1S/C15H17N5O/c16-14(17-10-6-2-1-3-7-10)20-15-18-12-9-5-4-8-11(12)13(21)19-15/h1-3,6-7H,4-5,8-9H2,(H4,16,17,18,19,20,21)
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n/an/an/an/a 7.23E+3n/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/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM36912
PNG
(1-(2-methoxyphenyl)-2-[6-[(4-methylphenyl)sulfanyl...)
Show SMILES COc1ccccc1N=C(N)Nc1nc(CSc2ccc(C)cc2)cc(=O)[nH]1
Show InChI InChI=1S/C20H21N5O2S/c1-13-7-9-15(10-8-13)28-12-14-11-18(26)24-20(22-14)25-19(21)23-16-5-3-4-6-17(16)27-2/h3-11H,12H2,1-2H3,(H4,21,22,23,24,25,26)
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n/an/an/an/a 7.29E+3n/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/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM36914
PNG
(2-(4-chlorophenyl)-3-(2-furanylmethyl)imidazo[4,5-...)
Show SMILES Clc1ccc(cc1)-c1nc2nc3ccccc3nc2n1Cc1ccco1
Show InChI InChI=1S/C20H13ClN4O/c21-14-9-7-13(8-10-14)19-24-18-20(25(19)12-15-4-3-11-26-15)23-17-6-2-1-5-16(17)22-18/h1-11H,12H2
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n/an/an/an/a 2.53E+4n/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/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM36916
PNG
(2-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethy...)
Show SMILES CN1CCN(CC1)C(=O)CSc1nc(cc(-c2cccs2)c1C#N)-c1cccs1
Show InChI InChI=1S/C21H20N4OS3/c1-24-6-8-25(9-7-24)20(26)14-29-21-16(13-22)15(18-4-2-10-27-18)12-17(23-21)19-5-3-11-28-19/h2-5,10-12H,6-9,14H2,1H3
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n/an/an/an/a 1.01E+4n/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/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM36917
PNG
(4-(cyclohexylamino)-2-(3,5-dimethyl-1-pyrazolyl)-5...)
Show SMILES CCOC(=O)c1cnc(nc1NC1CCCCC1)-n1nc(C)cc1C
Show InChI InChI=1S/C18H25N5O2/c1-4-25-17(24)15-11-19-18(23-13(3)10-12(2)22-23)21-16(15)20-14-8-6-5-7-9-14/h10-11,14H,4-9H2,1-3H3,(H,19,20,21)
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n/an/an/an/a 6.37E+3n/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/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM36923
PNG
((Z)-3,4-bis(benzenesulfonyl)-2-buten-1-ol | (Z)-3,...)
Show SMILES OC\C=C(\CS(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C16H16O5S2/c17-12-11-16(23(20,21)15-9-5-2-6-10-15)13-22(18,19)14-7-3-1-4-8-14/h1-11,17H,12-13H2/b16-11-
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n/an/an/an/a>3.00E+3n/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/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM36932
PNG
(2-(4-benzofuro[3,2-d]pyrimidinylthio)-1-(3,4-dihyd...)
Show SMILES O=C(CSc1ncnc2c3ccccc3oc12)N1CCCc2ccccc12
Show InChI InChI=1S/C21H17N3O2S/c25-18(24-11-5-7-14-6-1-3-9-16(14)24)12-27-21-20-19(22-13-23-21)15-8-2-4-10-17(15)26-20/h1-4,6,8-10,13H,5,7,11-12H2
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n/an/an/an/a>3.00E+3n/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/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM36933
PNG
(MLS000041708 | N-[2-(3,4-dimethoxyphenyl)ethyl]-4-...)
Show SMILES COc1ccc(CCNc2ncnc3c4ccccc4oc23)cc1OC
Show InChI InChI=1S/C20H19N3O3/c1-24-16-8-7-13(11-17(16)25-2)9-10-21-20-19-18(22-12-23-20)14-5-3-4-6-15(14)26-19/h3-8,11-12H,9-10H2,1-2H3,(H,21,22,23)
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n/an/an/an/a 537n/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/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM36935
PNG
(4-(4-benzylpiperazin-1-yl)-7-methyl-5H-pyrimido[5,...)
Show SMILES Cc1ccc2c(c1)[nH]c1c(ncnc21)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H23N5/c1-16-7-8-18-19(13-16)25-21-20(18)23-15-24-22(21)27-11-9-26(10-12-27)14-17-5-3-2-4-6-17/h2-8,13,15,25H,9-12,14H2,1H3
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n/an/an/an/a 3.27E+3n/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/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM36939
PNG
(2-(4-benzoxyphenyl)-5-(dimethylamino)oxazole-4-car...)
Show SMILES CN(C)c1oc(nc1C#N)-c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C19H17N3O2/c1-22(2)19-17(12-20)21-18(24-19)15-8-10-16(11-9-15)23-13-14-6-4-3-5-7-14/h3-11H,13H2,1-2H3
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n/an/an/an/a 3.22E+3n/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/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM36942
PNG
(5-[(2-bromanyl-4-propan-2-yl-phenoxy)methyl]-3-pyr...)
Show SMILES CC(C)c1ccc(OCc2nc(no2)-c2ccccn2)c(Br)c1
Show InChI InChI=1S/C17H16BrN3O2/c1-11(2)12-6-7-15(13(18)9-12)22-10-16-20-17(21-23-16)14-5-3-4-8-19-14/h3-9,11H,10H2,1-2H3
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n/an/an/an/a 4.45E+3n/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/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM36946
PNG
(2-(3,5-dimethyl-1-pyrazolyl)-3-(2-phenoxyethoxy)-4...)
Show SMILES Cc1cc(C)n(n1)-c1nc2ccccc2c(=O)n1OCCOc1ccccc1
Show InChI InChI=1S/C21H20N4O3/c1-15-14-16(2)24(23-15)21-22-19-11-7-6-10-18(19)20(26)25(21)28-13-12-27-17-8-4-3-5-9-17/h3-11,14H,12-13H2,1-2H3
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n/an/an/an/a 2.00E+4n/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/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM36964
PNG
((2Z)-2-(3-indolylidene)-5-(phenylmethylthio)-3H-1,...)
Show SMILES C(Sc1nnc(o1)-c1c[nH]c2ccccc12)c1ccccc1
Show InChI InChI=1S/C17H13N3OS/c1-2-6-12(7-3-1)11-22-17-20-19-16(21-17)14-10-18-15-9-5-4-8-13(14)15/h1-10,18H,11H2
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n/an/an/an/a 1.95E+3n/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/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM36971
PNG
(2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazo...)
Show SMILES Cc1cc(C(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2C)c(C)n1C
Show InChI InChI=1S/C23H23N5OS/c1-15-7-5-6-8-20(15)28-22(18-9-11-24-12-10-18)25-26-23(28)30-14-21(29)19-13-16(2)27(4)17(19)3/h5-13H,14H2,1-4H3
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n/an/an/an/a 1.00E+4n/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/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM36975
PNG
(5,6-dimethyl-4-(1-phenyltetrazol-5-yl)sulfanylthie...)
Show SMILES Cc1sc2ncnc(Sc3nnnn3-c3ccccc3)c2c1C
Show InChI InChI=1S/C15H12N6S2/c1-9-10(2)22-13-12(9)14(17-8-16-13)23-15-18-19-20-21(15)11-6-4-3-5-7-11/h3-8H,1-2H3
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n/an/an/an/a>9.50E+4n/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/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM36980
PNG
(3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl...)
Show SMILES Cc1oc2cc(O)cc(O)c2c(=O)c1-c1ccc2OCCCOc2c1
Show InChI InChI=1S/C19H16O6/c1-10-17(11-3-4-14-15(7-11)24-6-2-5-23-14)19(22)18-13(21)8-12(20)9-16(18)25-10/h3-4,7-9,20-21H,2,5-6H2,1H3
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n/an/an/an/a 4.54E+3n/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/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM36991
PNG
(2-[[4-(2-fluorophenyl)-5-(3-pyridinyl)-1,2,4-triaz...)
Show SMILES COCCn1c(C)cc(C(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2F)c1C
Show InChI InChI=1S/C24H24FN5O2S/c1-16-13-19(17(2)29(16)11-12-32-3)22(31)15-33-24-28-27-23(18-7-6-10-26-14-18)30(24)21-9-5-4-8-20(21)25/h4-10,13-14H,11-12,15H2,1-3H3
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n/an/an/an/a 1.87E+3n/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/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM37000
PNG
(6-[3-(cyclopentylideneamino)-2-ethylimino-1,3-thia...)
Show SMILES CCN=c1scc(-c2ccc3OCC(=O)Nc3c2)n1N=C1CCCC1
Show InChI InChI=1S/C18H20N4O2S/c1-2-19-18-22(21-13-5-3-4-6-13)15(11-25-18)12-7-8-16-14(9-12)20-17(23)10-24-16/h7-9,11H,2-6,10H2,1H3,(H,20,23)
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n/an/an/an/a 8.60E+3n/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/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM37006
PNG
(3,5-dimethyl-4-isoxazolecarboxylic acid [2-(4-meth...)
Show SMILES Cc1noc(C)c1C(=O)OCc1csc(n1)-c1ccc(C)cc1
Show InChI InChI=1S/C17H16N2O3S/c1-10-4-6-13(7-5-10)16-18-14(9-23-16)8-21-17(20)15-11(2)19-22-12(15)3/h4-7,9H,8H2,1-3H3
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n/an/an/an/a 2.62E+4n/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/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM37009
PNG
(2-(1-benzimidazolyl)acetic acid [2-[1-(4-methoxyph...)
Show SMILES COc1ccc(cc1)-n1c(C)cc(C(=O)COC(=O)Cn2cnc3ccccc23)c1C
Show InChI InChI=1S/C24H23N3O4/c1-16-12-20(17(2)27(16)18-8-10-19(30-3)11-9-18)23(28)14-31-24(29)13-26-15-25-21-6-4-5-7-22(21)26/h4-12,15H,13-14H2,1-3H3
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n/an/an/an/a 1.03E+4n/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/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM37013
PNG
(2-(1,3-benzoxazol-2-ylsulfanyl)-1-[1-(2-methoxyeth...)
Show SMILES COCCn1c(C)cc(C(=O)CSc2nc3ccccc3o2)c1C
Show InChI InChI=1S/C18H20N2O3S/c1-12-10-14(13(2)20(12)8-9-22-3)16(21)11-24-18-19-15-6-4-5-7-17(15)23-18/h4-7,10H,8-9,11H2,1-3H3
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n/an/an/an/a>9.50E+4n/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/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM37019
PNG
(1-(2,5-dimethylphenyl)-5-(1-phenyltetrazol-5-yl)su...)
Show SMILES Cc1ccc(C)c(c1)-n1nnnc1Sc1nnnn1-c1ccccc1
Show InChI InChI=1S/C16H14N8S/c1-11-8-9-12(2)14(10-11)24-16(18-20-22-24)25-15-17-19-21-23(15)13-6-4-3-5-7-13/h3-10H,1-2H3
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n/an/an/an/a 1.28E+4n/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/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM30829
PNG
(4-(2-phenylethyl)-3-(4-thieno[2,3-d]pyrimidinylthi...)
Show SMILES O=c1[nH]nc(Sc2ncnc3sccc23)n1CCc1ccccc1
Show InChI InChI=1S/C16H13N5OS2/c22-15-19-20-16(21(15)8-6-11-4-2-1-3-5-11)24-14-12-7-9-23-13(12)17-10-18-14/h1-5,7,9-10H,6,8H2,(H,19,22)
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n/an/an/an/a 1.69E+4n/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/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM37021
PNG
(1-(2,5-dichlorophenoxy)-3-(4-thiophen-2-ylsulfonyl...)
Show SMILES OC(COc1cc(Cl)ccc1Cl)CN1CCN(CC1)S(=O)(=O)c1cccs1
Show InChI InChI=1S/C17H20Cl2N2O4S2/c18-13-3-4-15(19)16(10-13)25-12-14(22)11-20-5-7-21(8-6-20)27(23,24)17-2-1-9-26-17/h1-4,9-10,14,22H,5-8,11-12H2
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n/an/an/an/a 4.20E+3n/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/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM37035
PNG
(4-(3,4-dichlorophenyl)-N-(phenylmethyl)-1-piperazi...)
Show SMILES Clc1ccc(cc1Cl)N1CCN(CC1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C18H19Cl2N3O/c19-16-7-6-15(12-17(16)20)22-8-10-23(11-9-22)18(24)21-13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,21,24)
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n/an/an/an/a 7.15E+3n/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/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM37037
PNG
(2-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)-1-meth...)
Show SMILES Cn1c(cc2oc3ccccc3c12)C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C21H18N2O2/c1-22-17(12-19-20(22)16-8-4-5-9-18(16)25-19)21(24)23-11-10-14-6-2-3-7-15(14)13-23/h2-9,12H,10-11,13H2,1H3
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n/an/an/an/a>3.00E+4n/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/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM37039
PNG
(1-[({[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]...)
Show SMILES Cc1oc(nc1CSCC(=O)N1CCN(CC1)c1ccccn1)-c1cccc(C)c1
Show InChI InChI=1S/C23H26N4O2S/c1-17-6-5-7-19(14-17)23-25-20(18(2)29-23)15-30-16-22(28)27-12-10-26(11-13-27)21-8-3-4-9-24-21/h3-9,14H,10-13,15-16H2,1-2H3
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n/an/an/an/a 1.36E+4n/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/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM37052
PNG
(5-ethyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]thio...)
Show SMILES CCc1ccc(s1)S(=O)(=O)NCCc1csc(n1)-c1ccccc1
Show InChI InChI=1S/C17H18N2O2S3/c1-2-15-8-9-16(23-15)24(20,21)18-11-10-14-12-22-17(19-14)13-6-4-3-5-7-13/h3-9,12,18H,2,10-11H2,1H3
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n/an/an/an/a 8.69E+3n/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/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM37057
PNG
(MLS000087225 | N-(3-cyano-4-ethyl-5-methyl-2-thien...)
Show SMILES CCc1c(C)sc(NC(=O)c2cc(on2)-c2ccco2)c1C#N
Show InChI InChI=1S/C16H13N3O3S/c1-3-10-9(2)23-16(11(10)8-17)18-15(20)12-7-14(22-19-12)13-5-4-6-21-13/h4-7H,3H2,1-2H3,(H,18,20)
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n/an/an/an/a 4.14E+3n/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/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM37059
PNG
((4E)-2-methyl-3-oxidanyl-4-[4-(4-propylphenoxy)-1,...)
Show SMILES CCCc1ccc(Oc2c[nH]nc2-c2ccc(O)c(C)c2O)cc1
Show InChI InChI=1S/C19H20N2O3/c1-3-4-13-5-7-14(8-6-13)24-17-11-20-21-18(17)15-9-10-16(22)12(2)19(15)23/h5-11,22-23H,3-4H2,1-2H3,(H,20,21)
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n/an/an/an/a 1.29E+4n/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/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM37063
PNG
(MLS000047020 | N-(2,3-dihydro-1,4-benzodioxin-6-yl...)
Show SMILES Cn1nc(CC(=O)Nc2ccc3OCCOc3c2)c2ccccc2c1=O
Show InChI InChI=1S/C19H17N3O4/c1-22-19(24)14-5-3-2-4-13(14)15(21-22)11-18(23)20-12-6-7-16-17(10-12)26-9-8-25-16/h2-7,10H,8-9,11H2,1H3,(H,20,23)
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n/an/an/an/a 5.94E+3n/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/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM37068
PNG
(6-(2-furanyl)-4-(4-methoxyphenyl)-2-oxo-1-cyclohex...)
Show SMILES CCOC(=O)C1C(CC(=CC1=O)c1ccc(OC)cc1)c1ccco1
Show InChI InChI=1S/C20H20O5/c1-3-24-20(22)19-16(18-5-4-10-25-18)11-14(12-17(19)21)13-6-8-15(23-2)9-7-13/h4-10,12,16,19H,3,11H2,1-2H3
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n/an/an/an/a 3.51E+3n/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/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM37075
PNG
(5-(3-chloranyl-4-ethoxy-phenyl)-7-(2,3-dimethoxyph...)
Show SMILES CCOc1ccc(cc1Cl)C1CC(c2cccc(OC)c2OC)n2nnnc2N1
Show InChI InChI=1S/C20H22ClN5O3/c1-4-29-17-9-8-12(10-14(17)21)15-11-16(26-20(22-15)23-24-25-26)13-6-5-7-18(27-2)19(13)28-3/h5-10,15-16H,4,11H2,1-3H3,(H,22,23,25)
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n/an/an/an/a>9.50E+4n/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/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM37081
PNG
(1-(8-quinolinylsulfonyl)-N-[3-(trifluoromethyl)phe...)
Show SMILES FC(F)(F)c1cccc(NC(=O)C2CCCN2S(=O)(=O)c2cccc3cccnc23)c1
Show InChI InChI=1S/C21H18F3N3O3S/c22-21(23,24)15-7-2-8-16(13-15)26-20(28)17-9-4-12-27(17)31(29,30)18-10-1-5-14-6-3-11-25-19(14)18/h1-3,5-8,10-11,13,17H,4,9,12H2,(H,26,28)
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n/an/an/an/a 4.74E+3n/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/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM37088
PNG
(2-[(3,6-dimethyl-4-oxidanylidene-6,7-dihydrothieno...)
Show SMILES CC1Cc2nc(SCC(=O)Nc3nc4ccc(C)cc4s3)n(C)c(=O)c2S1
Show InChI InChI=1S/C18H18N4O2S3/c1-9-4-5-11-13(6-9)27-17(19-11)21-14(23)8-25-18-20-12-7-10(2)26-15(12)16(24)22(18)3/h4-6,10H,7-8H2,1-3H3,(H,19,21,23)
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n/an/an/an/a 1.32E+4n/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/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM37089
PNG
(MLS000087214 | N-(3,4-dimethylphenyl)-5-(2-furanyl...)
Show SMILES Cc1ccc(NC(=O)c2cc(on2)-c2ccco2)cc1C
Show InChI InChI=1S/C16H14N2O3/c1-10-5-6-12(8-11(10)2)17-16(19)13-9-15(21-18-13)14-4-3-7-20-14/h3-9H,1-2H3,(H,17,19)
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n/an/an/an/a 4.99E+3n/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/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM37093
PNG
(1-[2-(2-bromophenoxy)propanoyl]indoline | 2-(2-bro...)
Show SMILES CC(Oc1ccccc1Br)C(=O)N1CCc2ccccc12
Show InChI InChI=1S/C17H16BrNO2/c1-12(21-16-9-5-3-7-14(16)18)17(20)19-11-10-13-6-2-4-8-15(13)19/h2-9,12H,10-11H2,1H3
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n/an/an/an/a 6.81E+3n/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/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM37094
PNG
(MLS000047254 | N-[4-[5-(3-methoxyphenyl)-1,2,4-oxa...)
Show SMILES COc1cccc(c1)-c1nc(no1)-c1ccc(NC(=O)c2cccnc2)cc1
Show InChI InChI=1S/C21H16N4O3/c1-27-18-6-2-4-15(12-18)21-24-19(25-28-21)14-7-9-17(10-8-14)23-20(26)16-5-3-11-22-13-16/h2-13H,1H3,(H,23,26)
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n/an/an/an/a 2.61E+4n/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/Q2251GJ9
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%