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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


(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 1.36E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


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


(Homo sapiens (Human))
BDBM36823
PNG
(2-Ethoxy-3-(5-furan-2-yl-[1,2,4]oxadiazol-3-yl)-6-...)
Show SMILES CCOc1nc(ccc1-c1noc(n1)-c1ccco1)-c1ccccc1
Show InChI InChI=1S/C19H15N3O3/c1-2-23-18-14(10-11-15(20-18)13-7-4-3-5-8-13)17-21-19(25-22-17)16-9-6-12-24-16/h3-12H,2H2,1H3
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n/an/an/an/a 1.48E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


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


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


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


(Homo sapiens (Human))
BDBM36834
PNG
(3-(dimethylamino)-1,2-diphenyl-1-propanone;hydroch...)
Show SMILES CN(C)CC(C(=O)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H19NO/c1-18(2)13-16(14-9-5-3-6-10-14)17(19)15-11-7-4-8-12-15/h3-12,16H,13H2,1-2H3
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n/an/an/an/a 1.20E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


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


(Homo sapiens (Human))
BDBM36841
PNG
(5-(3,4-Diethoxy-phenyl)-3-(4-methoxy-phenyl)-[1,2,...)
Show SMILES CCOc1ccc(cc1OCC)-c1nc(no1)-c1ccc(OC)cc1
Show InChI InChI=1S/C19H20N2O4/c1-4-23-16-11-8-14(12-17(16)24-5-2)19-20-18(21-25-19)13-6-9-15(22-3)10-7-13/h6-12H,4-5H2,1-3H3
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n/an/an/an/a 732n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


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


(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 5.71E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


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


(Homo sapiens (Human))
BDBM36852
PNG
(MLS000073104 | N-(4-Benzo[1,3]dioxol-5-yl-thiazol-...)
Show SMILES O=C(Nc1nc(cs1)-c1ccc2OCOc2c1)c1ccncc1
Show InChI InChI=1S/C16H11N3O3S/c20-15(10-3-5-17-6-4-10)19-16-18-12(8-23-16)11-1-2-13-14(7-11)22-9-21-13/h1-8H,9H2,(H,18,19,20)
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n/an/an/an/a 1.20E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


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


(Homo sapiens (Human))
BDBM36862
PNG
(4-[4-[[2-(3-methyl-4-oxo-1-phthalazinyl)-1-oxoethy...)
Show SMILES Cn1nc(CC(=O)Nc2ccc(cc2)N2CCN(CC2)C(=O)OC(C)(C)C)c2ccccc2c1=O
Show InChI InChI=1S/C26H31N5O4/c1-26(2,3)35-25(34)31-15-13-30(14-16-31)19-11-9-18(10-12-19)27-23(32)17-22-20-7-5-6-8-21(20)24(33)29(4)28-22/h5-12H,13-17H2,1-4H3,(H,27,32)
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n/an/an/an/a 1.44E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


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


(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 5.24E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


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


(Homo sapiens (Human))
BDBM36889
PNG
(5-[1-[2-(4-chloranylphenoxy)ethylamino]propylidene...)
Show SMILES CCC(NCCOc1ccc(Cl)cc1)=C1C(=O)N(C)C(=O)N(C)C1=O
Show InChI InChI=1S/C17H20ClN3O4/c1-4-13(14-15(22)20(2)17(24)21(3)16(14)23)19-9-10-25-12-7-5-11(18)6-8-12/h5-8,19H,4,9-10H2,1-3H3
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n/an/an/an/a 5.34E+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)


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


(Homo sapiens (Human))
BDBM36900
PNG
(4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-8...)
Show SMILES Fc1ccc2[nH]c3c(ncnc3c2c1)N1CCN(Cc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C22H20FN5O2/c23-15-2-3-17-16(10-15)20-21(26-17)22(25-12-24-20)28-7-5-27(6-8-28)11-14-1-4-18-19(9-14)30-13-29-18/h1-4,9-10,12,26H,5-8,11,13H2
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n/an/an/an/a 2.00E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


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


(Homo sapiens (Human))
BDBM36901
PNG
(4-(4-benzylpiperazin-1-yl)-5H-pyrimido[5,4-b]indol...)
Show SMILES C(N1CCN(CC1)c1ncnc2c3ccccc3[nH]c12)c1ccccc1
Show InChI InChI=1S/C21H21N5/c1-2-6-16(7-3-1)14-25-10-12-26(13-11-25)21-20-19(22-15-23-21)17-8-4-5-9-18(17)24-20/h1-9,15,24H,10-14H2
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n/an/an/an/a 3.95E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


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


(Homo sapiens (Human))
BDBM36902
PNG
(2-N-benzyl-4-N-butyl-6-methylpyrimidine-2,4-diamin...)
Show SMILES CCCCNc1cc(C)nc(NCc2ccccc2)n1
Show InChI InChI=1S/C16H22N4/c1-3-4-10-17-15-11-13(2)19-16(20-15)18-12-14-8-6-5-7-9-14/h5-9,11H,3-4,10,12H2,1-2H3,(H2,17,18,19,20)
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n/an/an/an/a 5.39E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


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


(Homo sapiens (Human))
BDBM36910
PNG
(2-(4-keto-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)-1...)
Show SMILES NC(Nc1ccccc1)=Nc1nc2CCCCc2c(=O)[nH]1
Show InChI InChI=1S/C15H17N5O/c16-14(17-10-6-2-1-3-7-10)20-15-18-12-9-5-4-8-11(12)13(21)19-15/h1-3,6-7H,4-5,8-9H2,(H4,16,17,18,19,20,21)
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n/an/an/an/a 5.87E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


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


(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 4.87E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


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


(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)


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


(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>1.00E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


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


(Homo sapiens (Human))
BDBM36942
PNG
(5-[(2-bromanyl-4-propan-2-yl-phenoxy)methyl]-3-pyr...)
Show SMILES CC(C)c1ccc(OCc2nc(no2)-c2ccccn2)c(Br)c1
Show InChI InChI=1S/C17H16BrN3O2/c1-11(2)12-6-7-15(13(18)9-12)22-10-16-20-17(21-23-16)14-5-3-4-8-19-14/h3-9,11H,10H2,1-2H3
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n/an/an/an/a 4.43E+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)


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


(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)


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


(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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n/an/an/an/a 1.36E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


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


(Homo sapiens (Human))
BDBM36962
PNG
(4-amino-N-[2-[[5-bromo-2-(2-fluorobenzyl)oxy-benzy...)
Show SMILES Nc1nonc1C(=O)NCCNCc1cc(Br)ccc1OCc1ccccc1F
Show InChI InChI=1S/C19H19BrFN5O3/c20-14-5-6-16(28-11-12-3-1-2-4-15(12)21)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 8.91E+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)


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


(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 1.96E+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)


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


(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 7.74E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


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


(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)


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


(Homo sapiens (Human))
BDBM36978
PNG
(3,5-dimethyl-4-isoxazolecarboxylic acid [2-[2,5-di...)
Show SMILES Cc1cc(C(=O)COC(=O)c2c(C)noc2C)c(C)n1-c1ccc(C)cc1
Show InChI InChI=1S/C21H22N2O4/c1-12-6-8-17(9-7-12)23-13(2)10-18(15(23)4)19(24)11-26-21(25)20-14(3)22-27-16(20)5/h6-10H,11H2,1-5H3
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n/an/an/an/a 7.98E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


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


(Homo sapiens (Human))
BDBM36982
PNG
(MLS000056221 | SMR000068021 | [4-[(3,5-dimethyl-1,...)
Show SMILES COc1cc(ccc1OCc1c(C)noc1C)C(=O)N1CCN(CC1)S(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C25H29N3O6S/c1-17-5-8-21(9-6-17)35(30,31)28-13-11-27(12-14-28)25(29)20-7-10-23(24(15-20)32-4)33-16-22-18(2)26-34-19(22)3/h5-10,15H,11-14,16H2,1-4H3
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n/an/an/an/a>9.50E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


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


(Homo sapiens (Human))
BDBM36994
PNG
(5-(3,4-dimethoxyphenyl)-3-(4-pyridyl)-1,2,4-oxadia...)
Show SMILES COc1ccc(cc1OC)-c1nc(no1)-c1ccncc1
Show InChI InChI=1S/C15H13N3O3/c1-19-12-4-3-11(9-13(12)20-2)15-17-14(18-21-15)10-5-7-16-8-6-10/h3-9H,1-2H3
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n/an/an/an/a 1.20E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


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


(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 7.97E+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)


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


(Homo sapiens (Human))
BDBM37000
PNG
(6-[3-(cyclopentylideneamino)-2-ethylimino-1,3-thia...)
Show SMILES CCN=c1scc(-c2ccc3OCC(=O)Nc3c2)n1N=C1CCCC1
Show InChI InChI=1S/C18H20N4O2S/c1-2-19-18-22(21-13-5-3-4-6-13)15(11-25-18)12-7-8-16-14(9-12)20-17(23)10-24-16/h7-9,11H,2-6,10H2,1H3,(H,20,23)
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n/an/an/an/a 7.16E+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)


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


(Homo sapiens (Human))
BDBM37034
PNG
(MLS000087191 | N-[1-(4-chlorobenzyl)-3,5-dimethyl-...)
Show SMILES COc1ccc(OC)c(c1)-c1cc(no1)C(=O)Nc1c(C)nn(Cc2ccc(Cl)cc2)c1C
Show InChI InChI=1S/C24H23ClN4O4/c1-14-23(15(2)29(27-14)13-16-5-7-17(25)8-6-16)26-24(30)20-12-22(33-28-20)19-11-18(31-3)9-10-21(19)32-4/h5-12H,13H2,1-4H3,(H,26,30)
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n/an/an/an/a>1.00E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


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


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



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


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


(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)


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


(Homo sapiens (Human))
BDBM37047
PNG
((5-amino-1-methylsulfonylpyrazol-3-yl) naphthalene...)
Show SMILES CS(=O)(=O)n1nc(OC(=O)c2cccc3ccccc23)cc1N
Show InChI InChI=1S/C15H13N3O4S/c1-23(20,21)18-13(16)9-14(17-18)22-15(19)12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,16H2,1H3
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n/an/an/an/a 1.19E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


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


(Homo sapiens (Human))
BDBM37048
PNG
(2,4-dimethyl-N-(4-phenoxyphenyl)-1,3-oxazole-5-car...)
Show SMILES Cc1nc(C)c(o1)C(=O)Nc1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C18H16N2O3/c1-12-17(22-13(2)19-12)18(21)20-14-8-10-16(11-9-14)23-15-6-4-3-5-7-15/h3-11H,1-2H3,(H,20,21)
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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)


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


(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)


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


(Homo sapiens (Human))
BDBM37062
PNG
(2-[(3-ethyl-4-keto-6-methyl-6,7-dihydrothieno[3,2-...)
Show SMILES CCn1c(SCC(=O)Nc2nc3ccc(C)cc3s2)nc2CC(C)Sc2c1=O
Show InChI InChI=1S/C19H20N4O2S3/c1-4-23-17(25)16-13(8-11(3)27-16)21-19(23)26-9-15(24)22-18-20-12-6-5-10(2)7-14(12)28-18/h5-7,11H,4,8-9H2,1-3H3,(H,20,22,24)
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n/an/an/an/a 7.72E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


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


(Homo sapiens (Human))
BDBM37080
PNG
(4-[5-(3,4-diethoxybenzyl)-1,2,4-oxadiazol-3-yl]-1,...)
Show SMILES CCOc1ccc(Cc2nc(no2)-c2nonc2N)cc1OCC
Show InChI InChI=1S/C15H17N5O4/c1-3-21-10-6-5-9(7-11(10)22-4-2)8-12-17-15(20-23-12)13-14(16)19-24-18-13/h5-7H,3-4,8H2,1-2H3,(H2,16,19)
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n/an/an/an/a 1.26E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


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


(Homo sapiens (Human))
BDBM37084
PNG
(MLS000047253 | N-[4-(5-phenethyl-1,2,4-oxadiazol-3...)
Show SMILES O=C(Nc1ccc(cc1)-c1noc(CCc2ccccc2)n1)c1cccnc1
Show InChI InChI=1S/C22H18N4O2/c27-22(18-7-4-14-23-15-18)24-19-11-9-17(10-12-19)21-25-20(28-26-21)13-8-16-5-2-1-3-6-16/h1-7,9-12,14-15H,8,13H2,(H,24,27)
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n/an/an/an/a 3.40E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


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


(Homo sapiens (Human))
BDBM37087
PNG
((4-benzhydrylpiperazin-1-yl)-(5-methyl-1,2-oxazol-...)
Show SMILES Cc1cc(no1)C(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H23N3O2/c1-17-16-20(23-27-17)22(26)25-14-12-24(13-15-25)21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,16,21H,12-15H2,1H3
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n/an/an/an/a 1.91E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


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


(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)


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


(Homo sapiens (Human))
BDBM37107
PNG
((5-phenylisoxazol-3-yl)-(4-piperonylpiperazino)met...)
Show SMILES O=C(N1CCN(Cc2ccc3OCOc3c2)CC1)c1cc(on1)-c1ccccc1
Show InChI InChI=1S/C22H21N3O4/c26-22(18-13-20(29-23-18)17-4-2-1-3-5-17)25-10-8-24(9-11-25)14-16-6-7-19-21(12-16)28-15-27-19/h1-7,12-13H,8-11,14-15H2
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n/an/an/an/a 5.87E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


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


(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 6.55E+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)


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


(Homo sapiens (Human))
BDBM37117
PNG
(2-[(2,4-dimethoxybenzoyl)amino]-4-methyl-thiazole-...)
Show SMILES COC(=O)c1sc(NC(=O)c2ccc(OC)cc2OC)nc1C
Show InChI InChI=1S/C15H16N2O5S/c1-8-12(14(19)22-4)23-15(16-8)17-13(18)10-6-5-9(20-2)7-11(10)21-3/h5-7H,1-4H3,(H,16,17,18)
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n/an/an/an/a 7.76E+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)


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


(Homo sapiens (Human))
BDBM37119
PNG
(4,4'-(1,2,4,5-tetrazine-3,6-diyl)diphenol | 4-...)
Show SMILES Oc1ccc(cc1)-c1nnc(nn1)-c1ccc(O)cc1
Show InChI InChI=1S/C14H10N4O2/c19-11-5-1-9(2-6-11)13-15-17-14(18-16-13)10-3-7-12(20)8-4-10/h1-8,19-20H
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n/an/an/an/a>1.00E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


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


(Homo sapiens (Human))
BDBM31072
PNG
(2-[(1,1-dioxido-1-benzothien-3-yl)thio]-5-phenyl-1...)
Show SMILES O=S1(=O)C=C(Sc2nnc(o2)-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C16H10N2O3S2/c19-23(20)10-13(12-8-4-5-9-14(12)23)22-16-18-17-15(21-16)11-6-2-1-3-7-11/h1-10H
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n/an/an/an/a 2.35E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


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


(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)


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


(Homo sapiens (Human))
BDBM37140
PNG
(MLS000096729 | N-[3-chloro-4-[4-(1-oxobutyl)-1-pip...)
Show SMILES CCCC(=O)N1CCN(CC1)c1ccc(NC(=O)c2cc3ccccc3o2)cc1Cl
Show InChI InChI=1S/C23H24ClN3O3/c1-2-5-22(28)27-12-10-26(11-13-27)19-9-8-17(15-18(19)24)25-23(29)21-14-16-6-3-4-7-20(16)30-21/h3-4,6-9,14-15H,2,5,10-13H2,1H3,(H,25,29)
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n/an/an/an/a 8.63E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


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


(Homo sapiens (Human))
BDBM37143
PNG
(MLS000051884 | N-(2,3-dihydro-1,4-benzodioxin-6-yl...)
Show SMILES O=S(=O)(Nc1ccc2OCCOc2c1)c1ccc2oc3ccccc3c2c1
Show InChI InChI=1S/C20H15NO5S/c22-27(23,21-13-5-7-19-20(11-13)25-10-9-24-19)14-6-8-18-16(12-14)15-3-1-2-4-17(15)26-18/h1-8,11-12,21H,9-10H2
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n/an/an/an/a 7.43E+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)


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


(Homo sapiens (Human))
BDBM37155
PNG
(MLS000115086 | N-[4-[5-(3,4-dimethoxyphenyl)-1,2,4...)
Show SMILES COc1ccc(cc1OC)-c1nc(no1)-c1ccc(NC(=O)c2ccncc2)cc1
Show InChI InChI=1S/C22H18N4O4/c1-28-18-8-5-16(13-19(18)29-2)22-25-20(26-30-22)14-3-6-17(7-4-14)24-21(27)15-9-11-23-12-10-15/h3-13H,1-2H3,(H,24,27)
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n/an/an/an/a 685n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


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


(Homo sapiens (Human))
BDBM37161
PNG
(4-[3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-2H-...)
Show SMILES Oc1ccc(cc1)-c1cc(no1)C(=O)N1CCc2ccccc2C1
Show InChI InChI=1S/C19H16N2O3/c22-16-7-5-14(6-8-16)18-11-17(20-24-18)19(23)21-10-9-13-3-1-2-4-15(13)12-21/h1-8,11,22H,9-10,12H2
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n/an/an/an/a 4.07E+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)


BindingDB Entry DOI: 10.7270/Q2ZC817P
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 508 total )  |  Next  |  Last  >>
* indicates data uncertainty>20%