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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 1


(Homo sapiens (Human))
BDBM36821
PNG
(1,3-benzodioxol-5-ylmethyl 4-(4-fluorophenyl)-6-me...)
Show SMILES CC1=NC(=O)NC(C1C(=O)OCc1ccc2OCOc2c1)c1ccc(F)cc1
Show InChI InChI=1S/C20H17FN2O5/c1-11-17(18(23-20(25)22-11)13-3-5-14(21)6-4-13)19(24)26-9-12-2-7-15-16(8-12)28-10-27-15/h2-8,17-18H,9-10H2,1H3,(H,23,25)
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n/an/an/an/a 437n/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)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(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)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(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)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM31040
PNG
(1-Ethyl-6-methyl-3-phenyl-1H-pyrimido[5,4-e][1,2,4...)
Show SMILES CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccc1
Show InChI InChI=1S/C14H13N5O2/c1-3-19-12-10(13(20)18(2)14(21)16-12)15-11(17-19)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3
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n/an/an/an/a 3.55E+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)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36836
PNG
(MLS000070935 | N-(1,3-benzodioxol-5-yl)-2-[4-[4-(3...)
Show SMILES COc1cccc(c1)-c1csc(n1)N1CCN(CC(=O)Nc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C23H24N4O4S/c1-29-18-4-2-3-16(11-18)19-14-32-23(25-19)27-9-7-26(8-10-27)13-22(28)24-17-5-6-20-21(12-17)31-15-30-20/h2-6,11-12,14H,7-10,13,15H2,1H3,(H,24,28)
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n/an/an/an/a 1.70E+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)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(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)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36843
PNG
(9-Methoxy-2,2-dimethyl-2,6-dihydro-pyrano[3,2-c]qu...)
Show SMILES COc1ccc2[nH]c(=O)c3C=CC(C)(C)Oc3c2c1
Show InChI InChI=1S/C15H15NO3/c1-15(2)7-6-10-13(19-15)11-8-9(18-3)4-5-12(11)16-14(10)17/h4-8H,1-3H3,(H,16,17)
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n/an/an/an/a 4.51E+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)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36849
PNG
(4-(1-azepanyl)aniline;hydrochloride | 4-(azepan-1-...)
Show SMILES Nc1ccc(cc1)N1CCCCCC1
Show InChI InChI=1S/C12H18N2/c13-11-5-7-12(8-6-11)14-9-3-1-2-4-10-14/h5-8H,1-4,9-10,13H2
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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)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36860
PNG
(5-Methyl-7-[4-((E)-3-phenyl-allyl)-piperazin-1-yl]...)
Show SMILES Cc1cc(N2CCN(C\C=C\c3ccccc3)CC2)n2ncnc2n1
Show InChI InChI=1S/C19H22N6/c1-16-14-18(25-19(22-16)20-15-21-25)24-12-10-23(11-13-24)9-5-8-17-6-3-2-4-7-17/h2-8,14-15H,9-13H2,1H3/b8-5+
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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)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM31044
PNG
(1-Ethyl-6-methyl-3-thiophen-2-yl-1H-pyrimido[5,4-e...)
Show SMILES CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1cccs1
Show InChI InChI=1S/C12H11N5O2S/c1-3-17-10-8(11(18)16(2)12(19)14-10)13-9(15-17)7-5-4-6-20-7/h4-6H,3H2,1-2H3
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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)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36869
PNG
(MLS000077260 | N-(3-Cyano-4,5,6,7-tetrahydro-benzo...)
Show SMILES Cc1ccnc(SCC(=O)Nc2sc3CCCCc3c2C#N)n1
Show InChI InChI=1S/C16H16N4OS2/c1-10-6-7-18-16(19-10)22-9-14(21)20-15-12(8-17)11-4-2-3-5-13(11)23-15/h6-7H,2-5,9H2,1H3,(H,20,21)
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n/an/an/an/a 4.76E+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)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36873
PNG
(2-[[5-[[2-(3-chloroanilino)-1,3-thiazol-4-yl]methy...)
Show SMILES Clc1cccc(Nc2nc(Cc3nnc(SCC(=O)N4CCc5ccccc45)o3)cs2)c1
Show InChI InChI=1S/C22H18ClN5O2S2/c23-15-5-3-6-16(10-15)24-21-25-17(12-31-21)11-19-26-27-22(30-19)32-13-20(29)28-9-8-14-4-1-2-7-18(14)28/h1-7,10,12H,8-9,11,13H2,(H,24,25)
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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)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36876
PNG
(2-(3,4-diethoxyphenyl)-5-(3-pyridinyl)-1,3,4-oxadi...)
Show SMILES CCOc1ccc(cc1OCC)-c1nnc(o1)-c1cccnc1
Show InChI InChI=1S/C17H17N3O3/c1-3-21-14-8-7-12(10-15(14)22-4-2)16-19-20-17(23-16)13-6-5-9-18-11-13/h5-11H,3-4H2,1-2H3
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n/an/an/an/a 3.28E+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)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36881
PNG
(2,5-bis(4-morpholinylmethyl)-1,6-diphenylhexane-1,...)
Show SMILES O=C(C(CCC(CN1CCOCC1)C(=O)c1ccccc1)CN1CCOCC1)c1ccccc1
Show InChI InChI=1S/C28H36N2O4/c31-27(23-7-3-1-4-8-23)25(21-29-13-17-33-18-14-29)11-12-26(22-30-15-19-34-20-16-30)28(32)24-9-5-2-6-10-24/h1-10,25-26H,11-22H2
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n/an/an/an/a 4.80E+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)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36895
PNG
(1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,2,4,5-te...)
Show SMILES O=C(CCN1CCc2ccccc2CC1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C21H23NO3/c23-19(18-5-6-20-21(15-18)25-14-13-24-20)9-12-22-10-7-16-3-1-2-4-17(16)8-11-22/h1-6,15H,7-14H2
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n/an/an/an/a 1.05E+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)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36896
PNG
(4-(8-fluoranyl-5H-pyrimido[5,4-b]indol-4-yl)thiomo...)
Show SMILES Fc1ccc2[nH]c3c(ncnc3c2c1)N1CCSCC1
Show InChI InChI=1S/C14H13FN4S/c15-9-1-2-11-10(7-9)12-13(18-11)14(17-8-16-12)19-3-5-20-6-4-19/h1-2,7-8,18H,3-6H2
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n/an/an/an/a 6.12E+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)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36897
PNG
(8-fluoranyl-4-(4-phenylpiperazin-1-yl)-5H-pyrimido...)
Show SMILES Fc1ccc2[nH]c3c(ncnc3c2c1)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C20H18FN5/c21-14-6-7-17-16(12-14)18-19(24-17)20(23-13-22-18)26-10-8-25(9-11-26)15-4-2-1-3-5-15/h1-7,12-13,24H,8-11H2
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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)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36907
PNG
(5-(cyclohexylamino)-2-(3-methylphenyl)-1,3-oxazole...)
Show SMILES Cc1cccc(c1)-c1nc(C#N)c(NC2CCCCC2)o1
Show InChI InChI=1S/C17H19N3O/c1-12-6-5-7-13(10-12)16-20-15(11-18)17(21-16)19-14-8-3-2-4-9-14/h5-7,10,14,19H,2-4,8-9H2,1H3
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n/an/an/an/a 1.34E+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)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36924
PNG
((5E)-1-cyclohexyl-5-[1-(piperonylamino)propylidene...)
Show SMILES CCC(NCc1ccc2OCOc2c1)=C1C(=O)NC(=O)N(C2CCCCC2)C1=O
Show InChI InChI=1S/C21H25N3O5/c1-2-15(22-11-13-8-9-16-17(10-13)29-12-28-16)18-19(25)23-21(27)24(20(18)26)14-6-4-3-5-7-14/h8-10,14,22H,2-7,11-12H2,1H3,(H,23,25,27)
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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)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36925
PNG
(2-[(2,4-dichlorophenoxy)methyl]-5-(4-phenyl-1-pipe...)
Show SMILES Clc1ccc(OCc2nc(C#N)c(o2)N2CCN(CC2)c2ccccc2)c(Cl)c1
Show InChI InChI=1S/C21H18Cl2N4O2/c22-15-6-7-19(17(23)12-15)28-14-20-25-18(13-24)21(29-20)27-10-8-26(9-11-27)16-4-2-1-3-5-16/h1-7,12H,8-11,14H2
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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)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36928
PNG
(MLS000083238 | N-[(1S)-3-methyl-1-[5-(2-methylbenz...)
Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)c1nnc(o1)S(=O)(=O)Cc1ccccc1C
Show InChI InChI=1S/C20H29N3O5S/c1-13(2)11-16(21-18(24)28-20(4,5)6)17-22-23-19(27-17)29(25,26)12-15-10-8-7-9-14(15)3/h7-10,13,16H,11-12H2,1-6H3,(H,21,24)/t16-/m0/s1
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n/an/an/an/a 7.51E+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)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36930
PNG
(MLS000083046 | N,N-diethylcarbamic acid [3-(4-meth...)
Show SMILES CCN(CC)C(=O)Oc1ccc2c(c1)occ(-c1ccc(OC)cc1)c2=O
Show InChI InChI=1S/C21H21NO5/c1-4-22(5-2)21(24)27-16-10-11-17-19(12-16)26-13-18(20(17)23)14-6-8-15(25-3)9-7-14/h6-13H,4-5H2,1-3H3
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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)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(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)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36938
PNG
(2-(4-benzoxyphenyl)-5-(3-pyridylmethylamino)oxazol...)
Show SMILES N#Cc1nc(oc1NCc1cccnc1)-c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C23H18N4O2/c24-13-21-23(26-15-18-7-4-12-25-14-18)29-22(27-21)19-8-10-20(11-9-19)28-16-17-5-2-1-3-6-17/h1-12,14,26H,15-16H2
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n/an/an/an/a 7.92E+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)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36944
PNG
((2-methylbenzofuro[3,2-d]pyrimidin-4-yl)-(1-phenyl...)
Show SMILES CC(Nc1nc(C)nc2c3ccccc3oc12)c1ccccc1
Show InChI InChI=1S/C19H17N3O/c1-12(14-8-4-3-5-9-14)20-19-18-17(21-13(2)22-19)15-10-6-7-11-16(15)23-18/h3-12H,1-2H3,(H,20,21,22)
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n/an/an/an/a 6.97E+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)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36948
PNG
(MLS000041934 | N-[(1S)-1-[5-(3-fluorobenzyl)sulfon...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)c1nnc(o1)S(=O)(=O)Cc1cccc(F)c1
Show InChI InChI=1S/C22H24FN3O5S/c1-22(2,3)31-20(27)24-18(13-15-8-5-4-6-9-15)19-25-26-21(30-19)32(28,29)14-16-10-7-11-17(23)12-16/h4-12,18H,13-14H2,1-3H3,(H,24,27)/t18-/m0/s1
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n/an/an/an/a 8.51E+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)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36965
PNG
(1-[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-...)
Show SMILES COc1ccc(cc1)-n1c(C)cc(C(=O)CSc2nnc(o2)-c2cccs2)c1C
Show InChI InChI=1S/C21H19N3O3S2/c1-13-11-17(14(2)24(13)15-6-8-16(26-3)9-7-15)18(25)12-29-21-23-22-20(27-21)19-5-4-10-28-19/h4-11H,12H2,1-3H3
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n/an/an/an/a 2.03E+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)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36968
PNG
(1-(2,3-dihydroindol-1-yl)-2-(1H-indol-3-yl)ethanon...)
Show SMILES O=C(Cc1c[nH]c2ccccc12)N1CCc2ccccc12
Show InChI InChI=1S/C18H16N2O/c21-18(20-10-9-13-5-1-4-8-17(13)20)11-14-12-19-16-7-3-2-6-15(14)16/h1-8,12,19H,9-11H2
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n/an/an/an/a 9.43E+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)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36992
PNG
(2-[2-[2,5-dimethyl-1-(2-thenyl)pyrrol-3-yl]-2-keto...)
Show SMILES Cc1cc(C(=O)CN2C(=O)c3ccccc3C2=O)c(C)n1Cc1cccs1
Show InChI InChI=1S/C21H18N2O3S/c1-13-10-18(14(2)22(13)11-15-6-5-9-27-15)19(24)12-23-20(25)16-7-3-4-8-17(16)21(23)26/h3-10H,11-12H2,1-2H3
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n/an/an/an/a 1.74E+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)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36995
PNG
(5-[2-[3-[(3,5-dimethylisoxazol-4-yl)methoxy]benzoy...)
Show SMILES CCOC(=O)c1c(C)[nH]c(C(=O)C(C)OC(=O)c2cccc(OCc3c(C)noc3C)c2)c1C
Show InChI InChI=1S/C25H28N2O7/c1-7-31-25(30)21-13(2)22(26-15(21)4)23(28)17(6)33-24(29)18-9-8-10-19(11-18)32-12-20-14(3)27-34-16(20)5/h8-11,17,26H,7,12H2,1-6H3
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n/an/an/an/a 4.37E+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)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36997
PNG
(3-(2,5-dimethyl-3-furanyl)-5,6-diphenyl-1,2,4-tria...)
Show SMILES Cc1cc(c(C)o1)-c1nnc(-c2ccccc2)c(n1)-c1ccccc1
Show InChI InChI=1S/C21H17N3O/c1-14-13-18(15(2)25-14)21-22-19(16-9-5-3-6-10-16)20(23-24-21)17-11-7-4-8-12-17/h3-13H,1-2H3
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n/an/an/an/a 2.97E+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)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36999
PNG
(4-(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)ben...)
Show SMILES NC(=O)c1ccc(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)cc1
Show InChI InChI=1S/C14H9F12NO2/c15-9(16)11(19,20)13(23,24)14(25,26)12(21,22)10(17,18)5-29-7-3-1-6(2-4-7)8(27)28/h1-4,9H,5H2,(H2,27,28)
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n/an/an/an/a 8.00E+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)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(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)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37004
PNG
(2-[2-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]...)
Show SMILES COCCn1c(C)cc(C(=O)CSc2nc3ccccc3c(=O)[nH]2)c1C
Show InChI InChI=1S/C19H21N3O3S/c1-12-10-15(13(2)22(12)8-9-25-3)17(23)11-26-19-20-16-7-5-4-6-14(16)18(24)21-19/h4-7,10H,8-9,11H2,1-3H3,(H,20,21,24)
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n/an/an/an/a 6.12E+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)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37005
PNG
(1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol...)
Show SMILES Cc1cc(no1)-n1c(C)cc(C(=O)CSc2nc3nc(C)cc(C)n3n2)c1C
Show InChI InChI=1S/C19H20N6O2S/c1-10-6-12(3)25-18(20-10)21-19(22-25)28-9-16(26)15-7-11(2)24(14(15)5)17-8-13(4)27-23-17/h6-8H,9H2,1-5H3
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n/an/an/an/a 4.18E+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)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37017
PNG
(1-(2,5-dimethyl-1-piperonyl-pyrrol-3-yl)-2-[[1-(4-...)
Show SMILES Cc1cc(C(=O)CSc2nnnn2-c2ccc(O)cc2)c(C)n1Cc1ccc2OCOc2c1
Show InChI InChI=1S/C23H21N5O4S/c1-14-9-19(15(2)27(14)11-16-3-8-21-22(10-16)32-13-31-21)20(30)12-33-23-24-25-26-28(23)17-4-6-18(29)7-5-17/h3-10,29H,11-13H2,1-2H3
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n/an/an/an/a 5.91E+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)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37025
PNG
(4-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-1-yl]t...)
Show SMILES Clc1ccc(OCCN2CCN(CC2)c2ncnc3sccc23)cc1
Show InChI InChI=1S/C18H19ClN4OS/c19-14-1-3-15(4-2-14)24-11-10-22-6-8-23(9-7-22)17-16-5-12-25-18(16)21-13-20-17/h1-5,12-13H,6-11H2
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n/an/an/an/a 106n/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)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(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)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37041
PNG
(1-[2-(3,4-dimethylphenoxy)ethyl]-N'-hydroxy-1H...)
Show SMILES Cc1ccc(OCCn2cc(C(=N)NO)c3ccccc23)cc1C
Show InChI InChI=1S/C19H21N3O2/c1-13-7-8-15(11-14(13)2)24-10-9-22-12-17(19(20)21-23)16-5-3-4-6-18(16)22/h3-8,11-12,23H,9-10H2,1-2H3,(H2,20,21)
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n/an/an/an/a 9.82E+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)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37046
PNG
(MLS000094195 | N-(6-imidazo[2,1-b]thiazolylmethyl)...)
Show SMILES O=S(=O)(NCc1cn2ccsc2n1)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C18H15N3O3S2/c22-26(23,19-12-14-13-21-10-11-25-18(21)20-14)17-8-6-16(7-9-17)24-15-4-2-1-3-5-15/h1-11,13,19H,12H2
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n/an/an/an/a 6.07E+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)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(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)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37058
PNG
(MLS000089940 | N-[4-(5,6-dimethyl-1,3-benzoxazol-2...)
Show SMILES CCCC(=O)Nc1ccc(cc1)-c1nc2cc(C)c(C)cc2o1
Show InChI InChI=1S/C19H20N2O2/c1-4-5-18(22)20-15-8-6-14(7-9-15)19-21-16-10-12(2)13(3)11-17(16)23-19/h6-11H,4-5H2,1-3H3,(H,20,22)
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n/an/an/an/a 1.02E+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)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(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)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37067
PNG
((4-benzhydrylpiperazin-1-yl)-[5-(furan-2-yl)-1,2-o...)
Show SMILES O=C(N1CCN(CC1)C(c1ccccc1)c1ccccc1)c1cc(on1)-c1ccco1
Show InChI InChI=1S/C25H23N3O3/c29-25(21-18-23(31-26-21)22-12-7-17-30-22)28-15-13-27(14-16-28)24(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-12,17-18,24H,13-16H2
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n/an/an/an/a 6.75E+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)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37071
PNG
(1-(1,3-benzodioxol-5-ylmethyl)-4-[({[5-methyl-2-(3...)
Show SMILES Cc1oc(nc1CSCC(=O)N1CCN(Cc2ccc3OCOc3c2)CC1)-c1cccc(C)c1
Show InChI InChI=1S/C26H29N3O4S/c1-18-4-3-5-21(12-18)26-27-22(19(2)33-26)15-34-16-25(30)29-10-8-28(9-11-29)14-20-6-7-23-24(13-20)32-17-31-23/h3-7,12-13H,8-11,14-17H2,1-2H3
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n/an/an/an/a 5.16E+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)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37078
PNG
(5-(2-methoxyphenyl)-N-(3-methyl-1-phenyl-1H-pyrazo...)
Show SMILES COc1ccccc1-c1cc(no1)C(=O)Nc1cc(C)nn1-c1ccccc1
Show InChI InChI=1S/C21H18N4O3/c1-14-12-20(25(23-14)15-8-4-3-5-9-15)22-21(26)17-13-19(28-24-17)16-10-6-7-11-18(16)27-2/h3-13H,1-2H3,(H,22,26)
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n/an/an/an/a 4.70E+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)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37090
PNG
(2-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyphenyl)-1,3...)
Show SMILES COc1ccc(cc1)-c1nc2cc(NC(=O)Cc3ccc(OC)c(OC)c3)ccc2o1
Show InChI InChI=1S/C24H22N2O5/c1-28-18-8-5-16(6-9-18)24-26-19-14-17(7-11-20(19)31-24)25-23(27)13-15-4-10-21(29-2)22(12-15)30-3/h4-12,14H,13H2,1-3H3,(H,25,27)
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n/an/an/an/a 8.03E+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)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(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)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37097
PNG
(MLS000087437 | N-cyclohexyl-7-methoxy-4,5-dihydrob...)
Show SMILES COc1ccc2-c3onc(C(=O)NC4CCCCC4)c3CCc2c1
Show InChI InChI=1S/C19H22N2O3/c1-23-14-8-10-15-12(11-14)7-9-16-17(21-24-18(15)16)19(22)20-13-5-3-2-4-6-13/h8,10-11,13H,2-7,9H2,1H3,(H,20,22)
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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)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37106
PNG
(5-hydroxy-1-(4-methoxyphenyl)-2-methyl-3-indolecar...)
Show SMILES COC(=O)c1c(C)n(-c2ccc(OC)cc2)c2ccc(O)cc12
Show InChI InChI=1S/C18H17NO4/c1-11-17(18(21)23-3)15-10-13(20)6-9-16(15)19(11)12-4-7-14(22-2)8-5-12/h4-10,20H,1-3H3
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n/an/an/an/a 6.29E+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)


Article DOI: 10.1021/cb300426u
BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 508 total )  |  Next  |  Last  >>
* indicates data uncertainty>20%