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PubChem AID 467

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))
BDBM36817
PNG
(((4-Fluoro-phenyl)-{2-[5-(3-methoxy-phenyl)-[1,3,4...)
Show SMILES CCOC(=O)CN(C(=O)CSc1nnc(o1)-c1cccc(OC)c1)c1ccc(F)cc1
Show InChI InChI=1S/C21H20FN3O5S/c1-3-29-19(27)12-25(16-9-7-15(22)8-10-16)18(26)13-31-21-24-23-20(30-21)14-5-4-6-17(11-14)28-2/h4-11H,3,12-13H2,1-2H3
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n/an/an/an/a>9.51E+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/bi301387m
BindingDB Entry DOI: 10.7270/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36818
PNG
(MLS000068975 | N-[4-(5-Methyl-benzooxazol-2-yl)-ph...)
Show SMILES Cc1ccc2oc(nc2c1)-c1ccc(NC(=O)c2cccnc2)cc1
Show InChI InChI=1S/C20H15N3O2/c1-13-4-9-18-17(11-13)23-20(25-18)14-5-7-16(8-6-14)22-19(24)15-3-2-10-21-12-15/h2-12H,1H3,(H,22,24)
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n/an/an/an/a>9.51E+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/bi301387m
BindingDB Entry DOI: 10.7270/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36819
PNG
(3-Amino-6-thiophen-2-yl-thieno[2,3-b]pyridine-2-ca...)
Show SMILES Nc1c(sc2nc(ccc12)-c1cccs1)C(=O)NC1CCCC1
Show InChI InChI=1S/C17H17N3OS2/c18-14-11-7-8-12(13-6-3-9-22-13)20-17(11)23-15(14)16(21)19-10-4-1-2-5-10/h3,6-10H,1-2,4-5,18H2,(H,19,21)
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n/an/an/an/a 2.31E+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/bi301387m
BindingDB Entry DOI: 10.7270/Q25X2795
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>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/bi301387m
BindingDB Entry DOI: 10.7270/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36837
PNG
(MLS000034491 | N-[3-Chloro-4-(4-isobutyryl-piperaz...)
Show SMILES CC(C)C(=O)N1CCN(CC1)c1ccc(NC(=O)COc2ccccc2C)cc1Cl
Show InChI InChI=1S/C23H28ClN3O3/c1-16(2)23(29)27-12-10-26(11-13-27)20-9-8-18(14-19(20)24)25-22(28)15-30-21-7-5-4-6-17(21)3/h4-9,14,16H,10-13,15H2,1-3H3,(H,25,28)
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n/an/an/an/a 2.60E+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/bi301387m
BindingDB Entry DOI: 10.7270/Q25X2795
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 1.06E+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/bi301387m
BindingDB Entry DOI: 10.7270/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36839
PNG
(3-Methyl-benzofuran-2-carboxylic acid (3-methyl-4-...)
Show SMILES Cc1c(oc2ccccc12)C(=O)Nc1ccc(c(C)c1)-n1cnnn1
Show InChI InChI=1S/C18H15N5O2/c1-11-9-13(7-8-15(11)23-10-19-21-22-23)20-18(24)17-12(2)14-5-3-4-6-16(14)25-17/h3-10H,1-2H3,(H,20,24)
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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/bi301387m
BindingDB Entry DOI: 10.7270/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(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 8.06E+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/bi301387m
BindingDB Entry DOI: 10.7270/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36848
PNG
(Cyclohexanecarboxylic acid ethyl-(5-pyridin-3-yl-[...)
Show SMILES CCN(C(=O)C1CCCCC1)c1nnc(s1)-c1cccnc1
Show InChI InChI=1S/C16H20N4OS/c1-2-20(15(21)12-7-4-3-5-8-12)16-19-18-14(22-16)13-9-6-10-17-11-13/h6,9-12H,2-5,7-8H2,1H3
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n/an/an/an/a>9.51E+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/bi301387m
BindingDB Entry DOI: 10.7270/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36851
PNG
(MLS000072751 | N-(5-Benzotriazol-1-ylmethyl-[1,3,4...)
Show SMILES CCN(C(=O)c1ccc(cc1)C(C)(C)C)c1nnc(Cn2nnc3ccccc23)s1
Show InChI InChI=1S/C22H24N6OS/c1-5-27(20(29)15-10-12-16(13-11-15)22(2,3)4)21-25-24-19(30-21)14-28-18-9-7-6-8-17(18)23-26-28/h6-13H,5,14H2,1-4H3
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n/an/an/an/a 8.78E+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/bi301387m
BindingDB Entry DOI: 10.7270/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM31042
PNG
((5-acetamido-4-acetyloxy-2,1,3-benzoxadiazol-7-yl)...)
Show SMILES CC(=O)Nc1cc(OC(C)=O)c2nonc2c1OC(C)=O
Show InChI InChI=1S/C12H11N3O6/c1-5(16)13-8-4-9(19-6(2)17)10-11(15-21-14-10)12(8)20-7(3)18/h4H,1-3H3,(H,13,16)
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n/an/an/an/a 6.21E+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/bi301387m
BindingDB Entry DOI: 10.7270/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM32663
PNG
(2,3-Dihydro-benzo[1,4]dioxine-6-sulfonic acid [1-(...)
Show SMILES Cc1ccc(cc1)-c1csc(n1)N1CCC(CC1)NS(=O)(=O)c1ccc2OCCOc2c1
Show InChI InChI=1S/C23H25N3O4S2/c1-16-2-4-17(5-3-16)20-15-31-23(24-20)26-10-8-18(9-11-26)25-32(27,28)19-6-7-21-22(14-19)30-13-12-29-21/h2-7,14-15,18,25H,8-13H2,1H3
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n/an/an/an/a 5.75E+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/bi301387m
BindingDB Entry DOI: 10.7270/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36858
PNG
(1-[[(Z)-2-bromanyl-3-phenyl-prop-2-enylidene]amino...)
Show SMILES Nc1nnnn1N=C\C(Br)=C\c1ccccc1
Show InChI InChI=1S/C10H9BrN6/c11-9(6-8-4-2-1-3-5-8)7-13-17-10(12)14-15-16-17/h1-7H,(H2,12,14,16)/b9-6-,13-7?
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n/an/an/an/a 4.08E+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/bi301387m
BindingDB Entry DOI: 10.7270/Q25X2795
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>9.51E+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/bi301387m
BindingDB Entry DOI: 10.7270/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36863
PNG
(4-(Cyclohexylmethyl-sulfamoyl)-N-thiazol-2-yl-benz...)
Show SMILES O=C(Nc1nccs1)c1ccc(cc1)S(=O)(=O)NCC1CCCCC1
Show InChI InChI=1S/C17H21N3O3S2/c21-16(20-17-18-10-11-24-17)14-6-8-15(9-7-14)25(22,23)19-12-13-4-2-1-3-5-13/h6-11,13,19H,1-5,12H2,(H,18,20,21)
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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/bi301387m
BindingDB Entry DOI: 10.7270/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM3859
PNG
(1-Phenylbenzimidazole deriv. 76 | 6-methoxy-1-phen...)
Show SMILES COc1ccc2ncn(-c3ccccc3)c2c1
Show InChI InChI=1S/C14H12N2O/c1-17-12-7-8-13-14(9-12)16(10-15-13)11-5-3-2-4-6-11/h2-10H,1H3
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n/an/an/an/a>9.51E+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/bi301387m
BindingDB Entry DOI: 10.7270/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36864
PNG
(MLS000074637 | N-propyl-N-(5-pyridin-4-yl-1,3,4-th...)
Show SMILES CCCN(C(=O)c1cccs1)c1nnc(s1)-c1ccncc1
Show InChI InChI=1S/C15H14N4OS2/c1-2-9-19(14(20)12-4-3-10-21-12)15-18-17-13(22-15)11-5-7-16-8-6-11/h3-8,10H,2,9H2,1H3
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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)


Article DOI: 10.1021/bi301387m
BindingDB Entry DOI: 10.7270/Q25X2795
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>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/bi301387m
BindingDB Entry DOI: 10.7270/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36872
PNG
(MLS000033292 | N'-[2-(cyclopentylamino)-2-keto-1-(...)
Show SMILES O=C(CCC(=O)N(Cc1ccco1)C(C(=O)NC1CCCC1)c1ccncc1)Nc1cccnc1
Show InChI InChI=1S/C26H29N5O4/c32-23(29-21-7-3-13-28-17-21)9-10-24(33)31(18-22-8-4-16-35-22)25(19-11-14-27-15-12-19)26(34)30-20-5-1-2-6-20/h3-4,7-8,11-17,20,25H,1-2,5-6,9-10,18H2,(H,29,32)(H,30,34)
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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)


Article DOI: 10.1021/bi301387m
BindingDB Entry DOI: 10.7270/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36878
PNG
(2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-y...)
Show SMILES Cc1cc(N2CCN(CC2)c2nc3ccccc3s2)n2ncnc2n1
Show InChI InChI=1S/C17H17N7S/c1-12-10-15(24-16(20-12)18-11-19-24)22-6-8-23(9-7-22)17-21-13-4-2-3-5-14(13)25-17/h2-5,10-11H,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)


Article DOI: 10.1021/bi301387m
BindingDB Entry DOI: 10.7270/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(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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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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/bi301387m
BindingDB Entry DOI: 10.7270/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36893
PNG
(4-[3-(1-benzotriazolyl)-2-hydroxypropoxy]benzoic a...)
Show SMILES COC(=O)c1ccc(OCC(O)Cn2nnc3ccccc23)cc1
Show InChI InChI=1S/C17H17N3O4/c1-23-17(22)12-6-8-14(9-7-12)24-11-13(21)10-20-16-5-3-2-4-15(16)18-19-20/h2-9,13,21H,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)


Article DOI: 10.1021/bi301387m
BindingDB Entry DOI: 10.7270/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36906
PNG
(2-[[N-cyano-N'-(2-fluorophenyl)amidino]thio]-N,N-d...)
Show SMILES CCN(CC)C(=O)CSC(NC#N)=Nc1ccccc1F
Show InChI InChI=1S/C14H17FN4OS/c1-3-19(4-2)13(20)9-21-14(17-10-16)18-12-8-6-5-7-11(12)15/h5-8H,3-4,9H2,1-2H3,(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)


Article DOI: 10.1021/bi301387m
BindingDB Entry DOI: 10.7270/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36915
PNG
(MLS000038082 | N-[10-[3-(dimethylamino)-1-oxopropy...)
Show SMILES CCOC(=O)Nc1ccc2Sc3ccccc3N(C(=O)CCN(C)C)c2c1
Show InChI InChI=1S/C20H23N3O3S/c1-4-26-20(25)21-14-9-10-18-16(13-14)23(19(24)11-12-22(2)3)15-7-5-6-8-17(15)27-18/h5-10,13H,4,11-12H2,1-3H3,(H,21,25)
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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/bi301387m
BindingDB Entry DOI: 10.7270/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36926
PNG
(2-furfuryl-(8-methyl-5H-pyrimid[5,4-b]indol-4-yl)a...)
Show SMILES Cc1ccc2[nH]c3c(NCc4ccco4)ncnc3c2c1
Show InChI InChI=1S/C16H14N4O/c1-10-4-5-13-12(7-10)14-15(20-13)16(19-9-18-14)17-8-11-3-2-6-21-11/h2-7,9,20H,8H2,1H3,(H,17,18,19)
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n/an/an/an/a 3.09E+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/bi301387m
BindingDB Entry DOI: 10.7270/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36929
PNG
(4-butoxy-8-fluoranyl-5H-pyrimido[5,4-b]indole | 4-...)
Show SMILES CCCCOc1ncnc2c3cc(F)ccc3[nH]c12
Show InChI InChI=1S/C14H14FN3O/c1-2-3-6-19-14-13-12(16-8-17-14)10-7-9(15)4-5-11(10)18-13/h4-5,7-8,18H,2-3,6H2,1H3
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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)


Article DOI: 10.1021/bi301387m
BindingDB Entry DOI: 10.7270/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36931
PNG
(6-amino-1'-(4-chlorobenzyl)-2'-keto-3-methyl-spiro...)
Show SMILES Cc1[nH]nc2OC(=N)C(C#N)C3(C(=O)N(Cc4ccc(Cl)cc4)c4ccccc34)c12
Show InChI InChI=1S/C22H16ClN5O2/c1-12-18-20(27-26-12)30-19(25)16(10-24)22(18)15-4-2-3-5-17(15)28(21(22)29)11-13-6-8-14(23)9-7-13/h2-9,16,25H,11H2,1H3,(H,26,27)
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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)


Article DOI: 10.1021/bi301387m
BindingDB Entry DOI: 10.7270/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36937
PNG
(1-(8-chloro-4-benzofuro[3,2-d]pyrimidinyl)-4-piper...)
Show SMILES CCOC(=O)C1CCN(CC1)c1ncnc2c3cc(Cl)ccc3oc12
Show InChI InChI=1S/C18H18ClN3O3/c1-2-24-18(23)11-5-7-22(8-6-11)17-16-15(20-10-21-17)13-9-12(19)3-4-14(13)25-16/h3-4,9-11H,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)


Article DOI: 10.1021/bi301387m
BindingDB Entry DOI: 10.7270/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36951
PNG
(7-(4-benzhydrylpiperazin-1-yl)-5-methyl-[1,2,4]tri...)
Show SMILES Cc1cc(N2CCN(CC2)C(c2ccccc2)c2ccccc2)n2ncnc2n1
Show InChI InChI=1S/C23H24N6/c1-18-16-21(29-23(26-18)24-17-25-29)27-12-14-28(15-13-27)22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,16-17,22H,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)


Article DOI: 10.1021/bi301387m
BindingDB Entry DOI: 10.7270/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36960
PNG
(4-amino-N-[2-[[5-bromo-2-(4-fluorobenzyl)oxy-benzy...)
Show SMILES Nc1nonc1C(=O)NCCNCc1cc(Br)ccc1OCc1ccc(F)cc1
Show InChI InChI=1S/C19H19BrFN5O3/c20-14-3-6-16(28-11-12-1-4-15(21)5-2-12)13(9-14)10-23-7-8-24-19(27)17-18(22)26-29-25-17/h1-6,9,23H,7-8,10-11H2,(H2,22,26)(H,24,27)
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n/an/an/an/a 3.05E+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/bi301387m
BindingDB Entry DOI: 10.7270/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36961
PNG
(5-[(2-fluorobenzyl)amino]-2-morpholino-benzoic aci...)
Show SMILES COC(=O)c1cc(NCc2ccccc2F)ccc1N1CCOCC1
Show InChI InChI=1S/C19H21FN2O3/c1-24-19(23)16-12-15(21-13-14-4-2-3-5-17(14)20)6-7-18(16)22-8-10-25-11-9-22/h2-7,12,21H,8-11,13H2,1H3
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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)


Article DOI: 10.1021/bi301387m
BindingDB Entry DOI: 10.7270/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36969
PNG
(MLS000056228 | N-methyl-N-(thiophen-2-ylmethyl)-4-...)
Show SMILES CN(Cc1cccs1)c1ncnc2sccc12
Show InChI InChI=1S/C12H11N3S2/c1-15(7-9-3-2-5-16-9)11-10-4-6-17-12(10)14-8-13-11/h2-6,8H,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)


Article DOI: 10.1021/bi301387m
BindingDB Entry DOI: 10.7270/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM31061
PNG
(4-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylthieno[...)
Show SMILES Clc1ccc(cc1)-n1nnnc1Sc1ncnc2sccc12
Show InChI InChI=1S/C13H7ClN6S2/c14-8-1-3-9(4-2-8)20-13(17-18-19-20)22-12-10-5-6-21-11(10)15-7-16-12/h1-7H
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n/an/an/an/a 2.87E+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)


Article DOI: 10.1021/bi301387m
BindingDB Entry DOI: 10.7270/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36993
PNG
(3-methyl-2-thiophenecarboxylic acid [2-[2,5-dimeth...)
Show SMILES Cc1ccsc1C(=O)OCC(=O)c1cc(C)n(CC2CCCO2)c1C
Show InChI InChI=1S/C19H23NO4S/c1-12-6-8-25-18(12)19(22)24-11-17(21)16-9-13(2)20(14(16)3)10-15-5-4-7-23-15/h6,8-9,15H,4-5,7,10-11H2,1-3H3
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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)


Article DOI: 10.1021/bi301387m
BindingDB Entry DOI: 10.7270/Q25X2795
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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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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/bi301387m
BindingDB Entry DOI: 10.7270/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(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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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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/bi301387m
BindingDB Entry DOI: 10.7270/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37024
PNG
(MLS000057540 | N-(1-propyl-2-benzimidazolyl)-3-(1-...)
Show SMILES CCCn1c(NC(=O)c2cccc(c2)S(=O)(=O)N2CCCC2)nc2ccccc12
Show InChI InChI=1S/C21H24N4O3S/c1-2-12-25-19-11-4-3-10-18(19)22-21(25)23-20(26)16-8-7-9-17(15-16)29(27,28)24-13-5-6-14-24/h3-4,7-11,15H,2,5-6,12-14H2,1H3,(H,22,23,26)
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n/an/an/an/a 1.04E+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/bi301387m
BindingDB Entry DOI: 10.7270/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37027
PNG
(7-methoxy-6-propyl-3-(2-pyridinyl)-1-benzopyran-4-...)
Show SMILES CCCc1cc2c(cc1OC)occ(-c1ccccn1)c2=O
Show InChI InChI=1S/C18H17NO3/c1-3-6-12-9-13-17(10-16(12)21-2)22-11-14(18(13)20)15-7-4-5-8-19-15/h4-5,7-11H,3,6H2,1-2H3
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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)


Article DOI: 10.1021/bi301387m
BindingDB Entry DOI: 10.7270/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37031
PNG
(5-(2-methoxyphenyl)-N-(2-methylsulfanylphenyl)-1,2...)
Show SMILES COc1ccccc1-c1cc(no1)C(=O)Nc1ccccc1SC
Show InChI InChI=1S/C18H16N2O3S/c1-22-15-9-5-3-7-12(15)16-11-14(20-23-16)18(21)19-13-8-4-6-10-17(13)24-2/h3-11H,1-2H3,(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)


Article DOI: 10.1021/bi301387m
BindingDB Entry DOI: 10.7270/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37036
PNG
(MLS000087261 | N-(3,4-dimethoxyphenyl)-5-(2-thieny...)
Show SMILES COc1ccc(NC(=O)c2cc(on2)-c2cccs2)cc1OC
Show InChI InChI=1S/C16H14N2O4S/c1-20-12-6-5-10(8-13(12)21-2)17-16(19)11-9-14(22-18-11)15-4-3-7-23-15/h3-9H,1-2H3,(H,17,19)
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n/an/an/an/a>9.51E+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/bi301387m
BindingDB Entry DOI: 10.7270/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37038
PNG
(3-[(2Z)-2-[(4-methoxyphenyl)imino]-4-[4-(morpholin...)
Show SMILES COc1ccc(cc1)\N=c1/scc(-c2ccc(cc2)S(=O)(=O)N2CCOCC2)n1CCCO
Show InChI InChI=1S/C23H27N3O5S2/c1-30-20-7-5-19(6-8-20)24-23-26(11-2-14-27)22(17-32-23)18-3-9-21(10-4-18)33(28,29)25-12-15-31-16-13-25/h3-10,17,27H,2,11-16H2,1H3/b24-23-
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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/bi301387m
BindingDB Entry DOI: 10.7270/Q25X2795
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 4.53E+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)


Article DOI: 10.1021/bi301387m
BindingDB Entry DOI: 10.7270/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37055
PNG
(3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxylic ...)
Show SMILES Cc1onc(c1C(=O)Oc1cc(N)n(n1)S(=O)(=O)c1ccc(F)cc1)-c1ccccc1Cl
Show InChI InChI=1S/C20H14ClFN4O5S/c1-11-18(19(25-31-11)14-4-2-3-5-15(14)21)20(27)30-17-10-16(23)26(24-17)32(28,29)13-8-6-12(22)7-9-13/h2-10H,23H2,1H3
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n/an/an/an/a 9.20E+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)


Article DOI: 10.1021/bi301387m
BindingDB Entry DOI: 10.7270/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37056
PNG
(4-butoxy-N-(3-pyridinyl)benzenesulfonamide | 4-but...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)Nc1cccnc1
Show InChI InChI=1S/C15H18N2O3S/c1-2-3-11-20-14-6-8-15(9-7-14)21(18,19)17-13-5-4-10-16-12-13/h4-10,12,17H,2-3,11H2,1H3
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n/an/an/an/a>9.51E+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/bi301387m
BindingDB Entry DOI: 10.7270/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37069
PNG
((4-benzhydrylpiperazin-1-yl)-(5-propan-2-yl-1,2-ox...)
Show SMILES CC(C)c1cc(no1)C(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H27N3O2/c1-18(2)22-17-21(25-29-22)24(28)27-15-13-26(14-16-27)23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,17-18,23H,13-16H2,1-2H3
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n/an/an/an/a>9.51E+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/bi301387m
BindingDB Entry DOI: 10.7270/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(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>9.51E+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/bi301387m
BindingDB Entry DOI: 10.7270/Q25X2795
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>9.51E+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/bi301387m
BindingDB Entry DOI: 10.7270/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM30898
PNG
(4-(4-piperonylpiperazino)benzofuro[3,2-d]pyrimidin...)
Show SMILES C(N1CCN(CC1)c1ncnc2c3ccccc3oc12)c1ccc2OCOc2c1
Show InChI InChI=1S/C22H20N4O3/c1-2-4-17-16(3-1)20-21(29-17)22(24-13-23-20)26-9-7-25(8-10-26)12-15-5-6-18-19(11-15)28-14-27-18/h1-6,11,13H,7-10,12,14H2
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n/an/an/an/a 2.13E+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/bi301387m
BindingDB Entry DOI: 10.7270/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37113
PNG
(2-(2,6-diketo-1,3-dimethyl-purin-9-yl)-N-[4-(5-sec...)
Show SMILES CCC(C)c1ccc2oc(nc2c1)-c1ccc(NC(=O)Cn2cnc3c2n(C)c(=O)n(C)c3=O)cc1
Show InChI InChI=1S/C26H26N6O4/c1-5-15(2)17-8-11-20-19(12-17)29-23(36-20)16-6-9-18(10-7-16)28-21(33)13-32-14-27-22-24(32)30(3)26(35)31(4)25(22)34/h6-12,14-15H,5,13H2,1-4H3,(H,28,33)
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n/an/an/an/a>9.51E+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/bi301387m
BindingDB Entry DOI: 10.7270/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37116
PNG
(1-(1,3-benzodioxol-5-yl)-3-[3-chloro-4-(difluorome...)
Show SMILES FC(F)Oc1ccc(NC(=O)Nc2ccc3OCOc3c2)cc1Cl
Show InChI InChI=1S/C15H11ClF2N2O4/c16-10-5-8(1-3-11(10)24-14(17)18)19-15(21)20-9-2-4-12-13(6-9)23-7-22-12/h1-6,14H,7H2,(H2,19,20,21)
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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/bi301387m
BindingDB Entry DOI: 10.7270/Q25X2795
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 508 total )  |  Next  |  Last  >>
* indicates data uncertainty>20%