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PubChem AID 466

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))
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 8.29E+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/bi701954p
BindingDB Entry DOI: 10.7270/Q2ZC817P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM3256
PNG
(4-(Benzylamino)quinazoline deriv. 7 | N-benzylquin...)
Show SMILES C(Nc1ncnc2ccccc12)c1ccccc1
Show InChI InChI=1S/C15H13N3/c1-2-6-12(7-3-1)10-16-15-13-8-4-5-9-14(13)17-11-18-15/h1-9,11H,10H2,(H,16,17,18)
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n/an/an/an/a 4.27E+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/bi701954p
BindingDB Entry DOI: 10.7270/Q2ZC817P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(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 879n/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/bi701954p
BindingDB Entry DOI: 10.7270/Q2ZC817P
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 2.37E+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/bi701954p
BindingDB Entry DOI: 10.7270/Q2ZC817P
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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n/an/an/an/a 2.96E+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/bi701954p
BindingDB Entry DOI: 10.7270/Q2ZC817P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36871
PNG
(MLS000027766 | N-[4-(1-Methanesulfonyl-2-methyl-2,...)
Show SMILES CC1Cc2cc(ccc2N1S(C)(=O)=O)-c1csc(NC(=O)Cc2cccs2)n1
Show InChI InChI=1S/C19H19N3O3S3/c1-12-8-14-9-13(5-6-17(14)22(12)28(2,24)25)16-11-27-19(20-16)21-18(23)10-15-4-3-7-26-15/h3-7,9,11-12H,8,10H2,1-2H3,(H,20,21,23)
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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/bi701954p
BindingDB Entry DOI: 10.7270/Q2ZC817P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36877
PNG
((3Z)-3-[3-[2-(4-fluorophenyl)-2-oxidanylidene-ethy...)
Show SMILES Oc1cc2ccccc2cc1-c1nnc(SCC(=O)c2ccc(F)cc2)n1Cc1ccco1
Show InChI InChI=1S/C25H18FN3O3S/c26-19-9-7-16(8-10-19)23(31)15-33-25-28-27-24(29(25)14-20-6-3-11-32-20)21-12-17-4-1-2-5-18(17)13-22(21)30/h1-13,30H,14-15H2
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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/bi701954p
BindingDB Entry DOI: 10.7270/Q2ZC817P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM31883
PNG
(9-cis-retinoic acid (9cRA) | ALL-TRANS-RETINOIC AC...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O
Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
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n/an/an/an/a 3.41E+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/bi701954p
BindingDB Entry DOI: 10.7270/Q2ZC817P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36886
PNG
(4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-8...)
Show SMILES Cc1ccc2[nH]c3c(ncnc3c2c1)N1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C23H23N5O2/c1-15-2-4-18-17(10-15)21-22(26-18)23(25-13-24-21)28-8-6-27(7-9-28)12-16-3-5-19-20(11-16)30-14-29-19/h2-5,10-11,13,26H,6-9,12,14H2,1H3
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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/bi701954p
BindingDB Entry DOI: 10.7270/Q2ZC817P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36903
PNG
(1-[(2,4-dimethoxyphenyl)-(4-morpholinyl)methyl]-2-...)
Show SMILES COc1ccc(C(N2CCOCC2)c2c(O)ccc3ccccc23)c(OC)c1
Show InChI InChI=1S/C23H25NO4/c1-26-17-8-9-19(21(15-17)27-2)23(24-11-13-28-14-12-24)22-18-6-4-3-5-16(18)7-10-20(22)25/h3-10,15,23,25H,11-14H2,1-2H3
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n/an/an/an/a 3.84E+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/bi701954p
BindingDB Entry DOI: 10.7270/Q2ZC817P
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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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/bi701954p
BindingDB Entry DOI: 10.7270/Q2ZC817P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36913
PNG
(2-[(2,5-dimethyl-1-pyridin-2-yl-pyrrol-3-yl)methyl...)
Show SMILES Cc1cc(C=c2sc3nc4ccccc4n3c2=O)c(C)n1-c1ccccn1
Show InChI InChI=1S/C21H16N4OS/c1-13-11-15(14(2)24(13)19-9-5-6-10-22-19)12-18-20(26)25-17-8-4-3-7-16(17)23-21(25)27-18/h3-12H,1-2H3
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n/an/an/an/a 111n/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/bi701954p
BindingDB Entry DOI: 10.7270/Q2ZC817P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36918
PNG
(MLS000040800 | N-[(1S)-1-[5-[[2-(4-bromoanilino)-2...)
Show SMILES CC(C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)Nc2ccc(Br)cc2)o1
Show InChI InChI=1S/C19H25BrN4O4S/c1-11(2)15(22-17(26)28-19(3,4)5)16-23-24-18(27-16)29-10-14(25)21-13-8-6-12(20)7-9-13/h6-9,11,15H,10H2,1-5H3,(H,21,25)(H,22,26)/t15-/m0/s1
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n/an/an/an/a 1.63E+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/bi701954p
BindingDB Entry DOI: 10.7270/Q2ZC817P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36919
PNG
(2-[(4-chlorobenzyl)thio]-5-(4-pyridyl)-1,3,4-oxadi...)
Show SMILES Clc1ccc(CSc2nnc(o2)-c2ccncc2)cc1
Show InChI InChI=1S/C14H10ClN3OS/c15-12-3-1-10(2-4-12)9-20-14-18-17-13(19-14)11-5-7-16-8-6-11/h1-8H,9H2
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n/an/an/an/a 3.58E+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/bi701954p
BindingDB Entry DOI: 10.7270/Q2ZC817P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36921
PNG
(6-cyclohexyl-3-(3-methoxyphenyl)-[1,2,4]triazolo[3...)
Show SMILES COc1cccc(c1)-c1nnc2sc(nn12)C1CCCCC1
Show InChI InChI=1S/C16H18N4OS/c1-21-13-9-5-8-12(10-13)14-17-18-16-20(14)19-15(22-16)11-6-3-2-4-7-11/h5,8-11H,2-4,6-7H2,1H3
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n/an/an/an/a 3.06E+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/bi701954p
BindingDB Entry DOI: 10.7270/Q2ZC817P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(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 3.01E+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/bi701954p
BindingDB Entry DOI: 10.7270/Q2ZC817P
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 9.78E+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/bi701954p
BindingDB Entry DOI: 10.7270/Q2ZC817P
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 9.88E+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/bi701954p
BindingDB Entry DOI: 10.7270/Q2ZC817P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36957
PNG
(2-[[5-[(4-chloranylphenoxy)methyl]-4-(furan-2-ylme...)
Show SMILES Clc1ccc(OCc2nnc(SCc3nc4ccccc4[nH]3)n2Cc2ccco2)cc1
Show InChI InChI=1S/C22H18ClN5O2S/c23-15-7-9-16(10-8-15)30-13-21-26-27-22(28(21)12-17-4-3-11-29-17)31-14-20-24-18-5-1-2-6-19(18)25-20/h1-11H,12-14H2,(H,24,25)
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n/an/an/an/a 9.34E+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/bi701954p
BindingDB Entry DOI: 10.7270/Q2ZC817P
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 5.29E+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/bi701954p
BindingDB Entry DOI: 10.7270/Q2ZC817P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36979
PNG
(2-[2-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-...)
Show SMILES Cc1cc(C(=O)CSc2nc3ccccc3c(=O)n2C)c(C)n1Cc1ccc2OCOc2c1
Show InChI InChI=1S/C25H23N3O4S/c1-15-10-19(16(2)28(15)12-17-8-9-22-23(11-17)32-14-31-22)21(29)13-33-25-26-20-7-5-4-6-18(20)24(30)27(25)3/h4-11H,12-14H2,1-3H3
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n/an/an/an/a 5.57E+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/bi701954p
BindingDB Entry DOI: 10.7270/Q2ZC817P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM36986
PNG
(1-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-[(5-thiophe...)
Show SMILES Cc1cc(C(=O)CSc2nnc(o2)-c2cccs2)c(C)n1-c1ccccc1
Show InChI InChI=1S/C20H17N3O2S2/c1-13-11-16(14(2)23(13)15-7-4-3-5-8-15)17(24)12-27-20-22-21-19(25-20)18-9-6-10-26-18/h3-11H,12H2,1-2H3
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n/an/an/an/a 4.19E+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)


Article DOI: 10.1021/bi701954p
BindingDB Entry DOI: 10.7270/Q2ZC817P
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 4.58E+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/bi701954p
BindingDB Entry DOI: 10.7270/Q2ZC817P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(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)


Article DOI: 10.1021/bi701954p
BindingDB Entry DOI: 10.7270/Q2ZC817P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37014
PNG
(MLS000098663 | N-[4-(2-furanylmethylsulfamoyl)phen...)
Show SMILES O=C(Nc1ccc(cc1)S(=O)(=O)NCc1ccco1)c1ccc2ccccc2n1
Show InChI InChI=1S/C21H17N3O4S/c25-21(20-12-7-15-4-1-2-6-19(15)24-20)23-16-8-10-18(11-9-16)29(26,27)22-14-17-5-3-13-28-17/h1-13,22H,14H2,(H,23,25)
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n/an/an/an/a 6.51E+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/bi701954p
BindingDB Entry DOI: 10.7270/Q2ZC817P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37018
PNG
((1-butyl-2-imidazolyl)-[3-[(2-methyl-2,3-dihydroin...)
Show SMILES CCCCn1ccnc1C(=O)c1cccc(c1)S(=O)(=O)N1C(C)Cc2ccccc12
Show InChI InChI=1S/C23H25N3O3S/c1-3-4-13-25-14-12-24-23(25)22(27)19-9-7-10-20(16-19)30(28,29)26-17(2)15-18-8-5-6-11-21(18)26/h5-12,14,16-17H,3-4,13,15H2,1-2H3
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n/an/an/an/a 9.16E+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/bi701954p
BindingDB Entry DOI: 10.7270/Q2ZC817P
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 108n/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/bi701954p
BindingDB Entry DOI: 10.7270/Q2ZC817P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37029
PNG
(4-chloranyl-3-(diethylsulfamoyl)-N-pyridin-4-yl-be...)
Show SMILES CCN(CC)S(=O)(=O)c1cc(ccc1Cl)C(=O)Nc1ccncc1
Show InChI InChI=1S/C16H18ClN3O3S/c1-3-20(4-2)24(22,23)15-11-12(5-6-14(15)17)16(21)19-13-7-9-18-10-8-13/h5-11H,3-4H2,1-2H3,(H,18,19,21)
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n/an/an/an/a 4.42E+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/bi701954p
BindingDB Entry DOI: 10.7270/Q2ZC817P
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 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)


Article DOI: 10.1021/bi701954p
BindingDB Entry DOI: 10.7270/Q2ZC817P
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 1.12E+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/bi701954p
BindingDB Entry DOI: 10.7270/Q2ZC817P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37044
PNG
(3-[(dimethylamino)sulfonyl]-1-methyl-1H-imidazol-3...)
Show SMILES c1ccc(cc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C24H20B/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H/q-1
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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/bi701954p
BindingDB Entry DOI: 10.7270/Q2ZC817P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37051
PNG
(1-acetyl-N-(2-cyclohex-1-en-1-ylethyl)-1,2,3,4-tet...)
Show SMILES CC(=O)N1CCCc2cc(ccc12)S(=O)(=O)NCCC1=CCCCC1
Show InChI InChI=1S/C19H26N2O3S/c1-15(22)21-13-5-8-17-14-18(9-10-19(17)21)25(23,24)20-12-11-16-6-3-2-4-7-16/h6,9-10,14,20H,2-5,7-8,11-13H2,1H3
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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/bi701954p
BindingDB Entry DOI: 10.7270/Q2ZC817P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37054
PNG
(3-[(5-chloranyl-1,3-benzoxazol-2-yl)sulfanyl]-1-be...)
Show SMILES Clc1ccc2oc(SC3=CS(=O)(=O)c4ccccc34)nc2c1
Show InChI InChI=1S/C15H8ClNO3S2/c16-9-5-6-12-11(7-9)17-15(20-12)21-13-8-22(18,19)14-4-2-1-3-10(13)14/h1-8H
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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/bi701954p
BindingDB Entry DOI: 10.7270/Q2ZC817P
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 8.55E+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/bi701954p
BindingDB Entry DOI: 10.7270/Q2ZC817P
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 1.08E+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/bi701954p
BindingDB Entry DOI: 10.7270/Q2ZC817P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37060
PNG
(4-[5-(2-ethoxyphenoxy)pentyl]-3,5-dimethyl-1H-pyra...)
Show SMILES CCOc1ccccc1OCCCCCc1c(C)n[nH]c1C
Show InChI InChI=1S/C18H26N2O2/c1-4-21-17-11-7-8-12-18(17)22-13-9-5-6-10-16-14(2)19-20-15(16)3/h7-8,11-12H,4-6,9-10,13H2,1-3H3,(H,19,20)
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n/an/an/an/a 1.27E+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/bi701954p
BindingDB Entry DOI: 10.7270/Q2ZC817P
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 5.42E+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/bi701954p
BindingDB Entry DOI: 10.7270/Q2ZC817P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37074
PNG
(MLS000087900 | N-[4-(1,3-benzothiazol-2-yl)-1,3-th...)
Show SMILES O=C(Nc1nc(cs1)-c1nc2ccccc2s1)c1ccc(cc1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C21H18N4O4S3/c26-19(14-5-7-15(8-6-14)32(27,28)25-9-11-29-12-10-25)24-21-23-17(13-30-21)20-22-16-3-1-2-4-18(16)31-20/h1-8,13H,9-12H2,(H,23,24,26)
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n/an/an/an/a 1.55E+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/bi701954p
BindingDB Entry DOI: 10.7270/Q2ZC817P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37077
PNG
(4-[[7-(diethylamino)-2-keto-chromen-3-yl]amino]-4-...)
Show SMILES CCN(CC)c1ccc2cc(NC(=O)CCC(O)=O)c(=O)oc2c1
Show InChI InChI=1S/C17H20N2O5/c1-3-19(4-2)12-6-5-11-9-13(17(23)24-14(11)10-12)18-15(20)7-8-16(21)22/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,18,20)(H,21,22)
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n/an/an/an/a 8.31E+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/bi701954p
BindingDB Entry DOI: 10.7270/Q2ZC817P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37092
PNG
(1-[({[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]m...)
Show SMILES CCc1ccc(cc1)-c1nc(CSCC(=O)N2CCN(CC2)c2ccccn2)c(C)o1
Show InChI InChI=1S/C24H28N4O2S/c1-3-19-7-9-20(10-8-19)24-26-21(18(2)30-24)16-31-17-23(29)28-14-12-27(13-15-28)22-6-4-5-11-25-22/h4-11H,3,12-17H2,1-2H3
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n/an/an/an/a 1.16E+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/bi701954p
BindingDB Entry DOI: 10.7270/Q2ZC817P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM32102
PNG
(1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,...)
Show SMILES Cn1ncnc2c1nc(=O)n(C)c2=O
Show InChI InChI=1S/C7H7N5O2/c1-11-6(13)4-5(10-7(11)14)12(2)9-3-8-4/h3H,1-2H3
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n/an/an/an/a 1.73E+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/bi701954p
BindingDB Entry DOI: 10.7270/Q2ZC817P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37099
PNG
(1-(8-quinolinylsulfonyl)-N-[4-(trifluoromethyl)phe...)
Show SMILES FC(F)(F)c1ccc(NC(=O)C2CCCN2S(=O)(=O)c2cccc3cccnc23)cc1
Show InChI InChI=1S/C21H18F3N3O3S/c22-21(23,24)15-8-10-16(11-9-15)26-20(28)17-6-3-13-27(17)31(29,30)18-7-1-4-14-5-2-12-25-19(14)18/h1-2,4-5,7-12,17H,3,6,13H2,(H,26,28)
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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/bi701954p
BindingDB Entry DOI: 10.7270/Q2ZC817P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37103
PNG
(MLS000097352 | N-(4-{5-[(4-propylphenoxy)methyl]-1...)
Show SMILES CCCc1ccc(OCc2nc(no2)-c2ccc(NC(=O)c3ccco3)cc2)cc1
Show InChI InChI=1S/C23H21N3O4/c1-2-4-16-6-12-19(13-7-16)29-15-21-25-22(26-30-21)17-8-10-18(11-9-17)24-23(27)20-5-3-14-28-20/h3,5-14H,2,4,15H2,1H3,(H,24,27)
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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/bi701954p
BindingDB Entry DOI: 10.7270/Q2ZC817P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37104
PNG
(2-[2-[(5-bromothiophene-2-carbonyl)amino]thiazol-4...)
Show SMILES CCOC(=O)Cc1csc(NC(=O)c2ccc(Br)s2)n1
Show InChI InChI=1S/C12H11BrN2O3S2/c1-2-18-10(16)5-7-6-19-12(14-7)15-11(17)8-3-4-9(13)20-8/h3-4,6H,2,5H2,1H3,(H,14,15,17)
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n/an/an/an/a 1.65E+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/bi701954p
BindingDB Entry DOI: 10.7270/Q2ZC817P
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 1.59E+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/bi701954p
BindingDB Entry DOI: 10.7270/Q2ZC817P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37115
PNG
(4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]pyr...)
Show SMILES CCOc1ccc(cc1OCC)-c1nc(no1)-c1ccncc1
Show InChI InChI=1S/C17H17N3O3/c1-3-21-14-6-5-13(11-15(14)22-4-2)17-19-16(20-23-17)12-7-9-18-10-8-12/h5-11H,3-4H2,1-2H3
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n/an/an/an/a 226n/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/bi701954p
BindingDB Entry DOI: 10.7270/Q2ZC817P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37122
PNG
(2-[(2-fluorobenzyl)thio]-5-(4-methylphenyl)-1,3,4-...)
Show SMILES Cc1ccc(cc1)-c1nnc(SCc2ccccc2F)o1
Show InChI InChI=1S/C16H13FN2OS/c1-11-6-8-12(9-7-11)15-18-19-16(20-15)21-10-13-4-2-3-5-14(13)17/h2-9H,10H2,1H3
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n/an/an/an/a 1.14E+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/bi701954p
BindingDB Entry DOI: 10.7270/Q2ZC817P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37123
PNG
(3-(o-tolyl)-5-p-phenetyl-1,2,4-oxadiazole | 5-(4-e...)
Show SMILES CCOc1ccc(cc1)-c1nc(no1)-c1ccccc1C
Show InChI InChI=1S/C17H16N2O2/c1-3-20-14-10-8-13(9-11-14)17-18-16(19-21-17)15-7-5-4-6-12(15)2/h4-11H,3H2,1-2H3
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n/an/an/an/a 1.52E+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/bi701954p
BindingDB Entry DOI: 10.7270/Q2ZC817P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37131
PNG
(2-(2-pyridin-2-ylsulfanylethylsulfonyl)-1,3-benzot...)
Show SMILES O=S(=O)(CCSc1ccccn1)c1nc2ccccc2s1
Show InChI InChI=1S/C14H12N2O2S3/c17-21(18,10-9-19-13-7-3-4-8-15-13)14-16-11-5-1-2-6-12(11)20-14/h1-8H,9-10H2
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n/an/an/an/a 9.83E+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/bi701954p
BindingDB Entry DOI: 10.7270/Q2ZC817P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM37136
PNG
((3-chloro-4-morpholino-phenyl)amine | 3-chloranyl-...)
Show SMILES Nc1ccc(N2CCOCC2)c(Cl)c1
Show InChI InChI=1S/C10H13ClN2O/c11-9-7-8(12)1-2-10(9)13-3-5-14-6-4-13/h1-2,7H,3-6,12H2
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n/an/an/an/a 981n/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/bi701954p
BindingDB Entry DOI: 10.7270/Q2ZC817P
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%