BindingDB logo
myBDB logout

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


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

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 2.30E+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/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM36826
PNG
(2-(benzylthio)-5-(2-thienyl)-1,3,4-oxadiazole | 2-...)
Show SMILES C(Sc1nnc(o1)-c1cccs1)c1ccccc1
Show InChI InChI=1S/C13H10N2OS2/c1-2-5-10(6-3-1)9-18-13-15-14-12(16-13)11-7-4-8-17-11/h1-8H,9H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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)


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


(Homo sapiens (Human))
BDBM36828
PNG
(2-(2-furoylamino)-1,3-benzothiazole-6-carboxylic a...)
Show SMILES CCOC(=O)c1ccc2nc(NC(=O)c3ccco3)sc2c1
Show InChI InChI=1S/C15H12N2O4S/c1-2-20-14(19)9-5-6-10-12(8-9)22-15(16-10)17-13(18)11-4-3-7-21-11/h3-8H,2H2,1H3,(H,16,17,18)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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)


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


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

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
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)


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


(Homo sapiens (Human))
BDBM50158460
PNG
((3,5-dibromo-4-hydroxyphenyl)(2-ethyl-1-benzofuran...)
Show SMILES CCc1oc2ccccc2c1C(=O)c1cc(Br)c(O)c(Br)c1
Show InChI InChI=1S/C17H12Br2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/an/an/a 1.35E+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/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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)


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


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

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 4.84E+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)


BindingDB Entry DOI: 10.7270/Q25X2795
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.21E+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/Q25X2795
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)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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)


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


(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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 8.69E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


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


(Homo sapiens (Human))
BDBM36922
PNG
(1,3-dimethyl-5-[1-(1-phenylethylamino)propylidene]...)
Show SMILES CCC(NC(C)c1ccccc1)=C1C(=O)N(C)C(=O)N(C)C1=O
Show InChI InChI=1S/C17H21N3O3/c1-5-13(18-11(2)12-9-7-6-8-10-12)14-15(21)19(3)17(23)20(4)16(14)22/h6-11,18H,5H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
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/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM36935
PNG
(4-(4-benzylpiperazin-1-yl)-7-methyl-5H-pyrimido[5,...)
Show SMILES Cc1ccc2c(c1)[nH]c1c(ncnc21)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H23N5/c1-16-7-8-18-19(13-16)25-21-20(18)23-15-24-22(21)27-11-9-26(10-12-27)14-17-5-3-2-4-6-17/h2-8,13,15,25H,9-12,14H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM36963
PNG
(MLS000042482 | N-[2-(3-bromanyl-4-methoxy-phenyl)-...)
Show SMILES CCCC(=O)Nc1ccc2oc(nc2c1)-c1ccc(OC)c(Br)c1
Show InChI InChI=1S/C18H17BrN2O3/c1-3-4-17(22)20-12-6-8-16-14(10-12)21-18(24-16)11-5-7-15(23-2)13(19)9-11/h5-10H,3-4H2,1-2H3,(H,20,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
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)


BindingDB Entry DOI: 10.7270/Q25X2795
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 3.23E+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/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM36985
PNG
(5-[[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]methyl]-...)
Show SMILES COC(=O)c1cc(CSc2nnc(-c3ccccc3)c(n2)-c2ccccc2)oc1C
Show InChI InChI=1S/C23H19N3O3S/c1-15-19(22(27)28-2)13-18(29-15)14-30-23-24-20(16-9-5-3-6-10-16)21(25-26-23)17-11-7-4-8-12-17/h3-13H,14H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
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)


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


(Homo sapiens (Human))
BDBM36996
PNG
(MLS000057790 | N-(1,3-benzodioxol-5-ylmethyl)-4-be...)
Show SMILES C(Nc1ncnc2c3ccccc3oc12)c1ccc2OCOc2c1
Show InChI InChI=1S/C18H13N3O3/c1-2-4-13-12(3-1)16-17(24-13)18(21-9-20-16)19-8-11-5-6-14-15(7-11)23-10-22-14/h1-7,9H,8,10H2,(H,19,20,21)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 3.89E+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/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM36998
PNG
((3-benzoxyphenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)m...)
Show SMILES OC(c1nnc(o1)-c1ccccc1)c1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C22H18N2O3/c25-20(22-24-23-21(27-22)17-10-5-2-6-11-17)18-12-7-13-19(14-18)26-15-16-8-3-1-4-9-16/h1-14,20,25H,15H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
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/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM37002
PNG
(4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic a...)
Show SMILES Cc1cc(C(=O)COC(=O)c2csc3CCCCc23)c(C)n1C
Show InChI InChI=1S/C18H21NO3S/c1-11-8-14(12(2)19(11)3)16(20)9-22-18(21)15-10-23-17-7-5-4-6-13(15)17/h8,10H,4-7,9H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
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)


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


(Homo sapiens (Human))
BDBM37003
PNG
((2-ethoxyphenyl)methyl 3-(1,2,3,4-tetrazol-1-yl)be...)
Show SMILES CCOc1ccccc1COC(=O)c1cccc(c1)-n1cnnn1
Show InChI InChI=1S/C17H16N4O3/c1-2-23-16-9-4-3-6-14(16)11-24-17(22)13-7-5-8-15(10-13)21-12-18-19-20-21/h3-10,12H,2,11H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
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)


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


(Homo sapiens (Human))
BDBM37011
PNG
(5-[[[3-(2-furanylmethyl)-4-oxo-2-quinazolinyl]thio...)
Show SMILES COC(=O)c1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccco2)o1
Show InChI InChI=1S/C20H16N2O5S/c1-25-19(24)17-9-8-14(27-17)12-28-20-21-16-7-3-2-6-15(16)18(23)22(20)11-13-5-4-10-26-13/h2-10H,11-12H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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)


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


(Homo sapiens (Human))
BDBM37012
PNG
((2E)-1-(5-chloranyl-2-methylsulfonyl-pyrimidin-4-y...)
Show SMILES CN1\C(=C\C(=O)c2nc(ncc2Cl)S(C)(=O)=O)C(C)(C)c2ccccc12
Show InChI InChI=1S/C18H18ClN3O3S/c1-18(2)11-7-5-6-8-13(11)22(3)15(18)9-14(23)16-12(19)10-20-17(21-16)26(4,24)25/h5-10H,1-4H3/b15-9+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 2.22E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


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


(Homo sapiens (Human))
BDBM37022
PNG
((6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 1-meth...)
Show SMILES Cn1cccc1C(=O)OCc1cc(Cl)cc2COCOc12
Show InChI InChI=1S/C15H14ClNO4/c1-17-4-2-3-13(17)15(18)20-8-11-6-12(16)5-10-7-19-9-21-14(10)11/h2-6H,7-9H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
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/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM37026
PNG
(4-(1,3-dioxoisoindol-2-yl)butyl 4-acetyl-3,5-dimet...)
Show SMILES CC(=O)c1c(C)[nH]c(C(=O)OCCCCN2C(=O)c3ccccc3C2=O)c1C
Show InChI InChI=1S/C21H22N2O5/c1-12-17(14(3)24)13(2)22-18(12)21(27)28-11-7-6-10-23-19(25)15-8-4-5-9-16(15)20(23)26/h4-5,8-9,22H,6-7,10-11H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
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/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM37028
PNG
(MLS000098514 | N-[4-(5-chloranylthiophen-2-yl)-1,3...)
Show SMILES Clc1ccc(s1)-c1csc(NC(=O)c2ccncc2)n1
Show InChI InChI=1S/C13H8ClN3OS2/c14-11-2-1-10(20-11)9-7-19-13(16-9)17-12(18)8-3-5-15-6-4-8/h1-7H,(H,16,17,18)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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)


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


(Homo sapiens (Human))
BDBM37061
PNG
((4-methoxy-1,3-benzothiazol-2-yl)-[4-(2-pyridyl)th...)
Show SMILES COc1cccc2sc(Nc3nc(cs3)-c3ccccn3)nc12
Show InChI InChI=1S/C16H12N4OS2/c1-21-12-6-4-7-13-14(12)19-16(23-13)20-15-18-11(9-22-15)10-5-2-3-8-17-10/h2-9H,1H3,(H,18,19,20)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 8.08E+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)


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


(Homo sapiens (Human))
BDBM37065
PNG
(MLS000087452 | N-(3,4-dimethoxyphenyl)-7-methoxy-4...)
Show SMILES COc1ccc2-c3onc(C(=O)Nc4ccc(OC)c(OC)c4)c3CCc2c1
Show InChI InChI=1S/C21H20N2O5/c1-25-14-6-8-15-12(10-14)4-7-16-19(23-28-20(15)16)21(24)22-13-5-9-17(26-2)18(11-13)27-3/h5-6,8-11H,4,7H2,1-3H3,(H,22,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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)


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


(Homo sapiens (Human))
BDBM37072
PNG
(1-[4-(4-chlorophenyl)-1-piperazinyl]-4-(1,1-dioxo-...)
Show SMILES CC(C)(CC(=O)N1CCN(CC1)c1ccc(Cl)cc1)CC1=Nc2ccccc2S(=O)(=O)N1
Show InChI InChI=1S/C23H27ClN4O3S/c1-23(2,15-21-25-19-5-3-4-6-20(19)32(30,31)26-21)16-22(29)28-13-11-27(12-14-28)18-9-7-17(24)8-10-18/h3-10H,11-16H2,1-2H3,(H,25,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.99E+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/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM37093
PNG
(1-[2-(2-bromophenoxy)propanoyl]indoline | 2-(2-bro...)
Show SMILES CC(Oc1ccccc1Br)C(=O)N1CCc2ccccc12
Show InChI InChI=1S/C17H16BrNO2/c1-12(21-16-9-5-3-7-14(16)18)17(20)19-11-10-13-6-2-4-8-15(13)19/h2-9,12H,10-11H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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)


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


(Homo sapiens (Human))
BDBM37095
PNG
(4-(6-methyl-5-imidazo[2,1-b]thiazolyl)-N-(phenylme...)
Show SMILES Cc1nc2sccn2c1-c1csc(NCc2ccccc2)n1
Show InChI InChI=1S/C16H14N4S2/c1-11-14(20-7-8-21-16(20)18-11)13-10-22-15(19-13)17-9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,17,19)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 2.00E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


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


(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)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
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/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM37102
PNG
(2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-chloranyl-4-m...)
Show SMILES Clc1cc(NC(=O)CSc2nc3ccccc3o2)ccc1N1CCOCC1
Show InChI InChI=1S/C19H18ClN3O3S/c20-14-11-13(5-6-16(14)23-7-9-25-10-8-23)21-18(24)12-27-19-22-15-3-1-2-4-17(15)26-19/h1-6,11H,7-10,12H2,(H,21,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.96E+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/Q25X2795
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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 3.16E+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/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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)


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


(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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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)


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


(Homo sapiens (Human))
BDBM37126
PNG
(1-(4-methylphenyl)-5-[(3,4,5-trimethoxybenzyl)thio...)
Show SMILES COc1cc(CSc2nnnn2-c2ccc(C)cc2)cc(OC)c1OC
Show InChI InChI=1S/C18H20N4O3S/c1-12-5-7-14(8-6-12)22-18(19-20-21-22)26-11-13-9-15(23-2)17(25-4)16(10-13)24-3/h5-10H,11H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
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/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM37127
PNG
(2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-quinoli...)
Show SMILES O=C(CSC1=NCCS1)Nc1ccnc2ccccc12
Show InChI InChI=1S/C14H13N3OS2/c18-13(9-20-14-16-7-8-19-14)17-12-5-6-15-11-4-2-1-3-10(11)12/h1-6H,7-9H2,(H,15,17,18)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.11E+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/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM37137
PNG
(1-[4-(5-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-...)
Show SMILES Cc1nnc(SCC(=O)N2CCC(CC2)c2noc3ccc(F)cc23)s1
Show InChI InChI=1S/C17H17FN4O2S2/c1-10-19-20-17(26-10)25-9-15(23)22-6-4-11(5-7-22)16-13-8-12(18)2-3-14(13)24-21-16/h2-3,8,11H,4-7,9H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
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)


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


(Homo sapiens (Human))
BDBM37148
PNG
(4-[2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-y...)
Show SMILES CC(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCN(CC2)c2cc(Cl)ccc2C)cc1
Show InChI InChI=1S/C22H28ClN3O4S/c1-16(2)24-31(28,29)20-8-6-19(7-9-20)30-15-22(27)26-12-10-25(11-13-26)21-14-18(23)5-4-17(21)3/h4-9,14,16,24H,10-13,15H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
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/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM37153
PNG
(MLS000117405 | N-(1,3-benzodioxol-5-yl)-2-(N-(3,5-...)
Show SMILES CC(C)c1ccc(cc1)N(CC(=O)Nc1ccc2OCOc2c1)S(=O)(=O)c1c(C)noc1C
Show InChI InChI=1S/C23H25N3O6S/c1-14(2)17-5-8-19(9-6-17)26(33(28,29)23-15(3)25-32-16(23)4)12-22(27)24-18-7-10-20-21(11-18)31-13-30-20/h5-11,14H,12-13H2,1-4H3,(H,24,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
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)


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


(Homo sapiens (Human))
BDBM37156
PNG
(3-[(4-chloranylpyrazol-1-yl)methyl]-N-(1-ethylbenz...)
Show SMILES CCn1c(NC(=O)c2cccc(Cn3cc(Cl)cn3)c2)nc2ccccc12
Show InChI InChI=1S/C20H18ClN5O/c1-2-26-18-9-4-3-8-17(18)23-20(26)24-19(27)15-7-5-6-14(10-15)12-25-13-16(21)11-22-25/h3-11,13H,2,12H2,1H3,(H,23,24,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
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)


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


(Homo sapiens (Human))
BDBM37159
PNG
(5-[(2-bromanyl-4-chloranyl-phenoxy)methyl]-3-pyrid...)
Show SMILES Clc1ccc(OCc2nc(no2)-c2ccncc2)c(Br)c1
Show InChI InChI=1S/C14H9BrClN3O2/c15-11-7-10(16)1-2-12(11)20-8-13-18-14(19-21-13)9-3-5-17-6-4-9/h1-7H,8H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM37170
PNG
(3-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-1,5,6,7-...)
Show SMILES COc1cc(cc(OC)c1OC)C1Cc2[nH]c(C(=O)OCC=C)c(C)c2C(=O)C1
Show InChI InChI=1S/C22H25NO6/c1-6-7-29-22(25)20-12(2)19-15(23-20)8-13(9-16(19)24)14-10-17(26-3)21(28-5)18(11-14)27-4/h6,10-11,13,23H,1,7-9H2,2-5H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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)


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


(Homo sapiens (Human))
BDBM37173
PNG
(6-[4-(dimethylamino)phenyl]-3-methyl-4-oxo-1,5,6,7...)
Show SMILES CCC(C)OC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C22H28N2O3/c1-6-13(2)27-22(26)21-14(3)20-18(23-21)11-16(12-19(20)25)15-7-9-17(10-8-15)24(4)5/h7-10,13,16,23H,6,11-12H2,1-5H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM37179
PNG
(MLS000120227 | SMR000097144 | [4-(4-chlorophenyl)-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)Cc1ccc(o1)C(=O)N1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H23ClN2O5S/c1-30-19-6-9-21(10-7-19)32(28,29)16-20-8-11-22(31-20)23(27)26-14-12-25(13-15-26)18-4-2-17(24)3-5-18/h2-11H,12-16H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM37182
PNG
(MLS000116819 | SMR000093778 | [4-(4-chlorophenyl)-...)
Show SMILES Clc1ccc(cc1)N1CCN(CC1)C(=O)C1CCN(CC1)S(=O)(=O)c1cccc2cccnc12
Show InChI InChI=1S/C25H27ClN4O3S/c26-21-6-8-22(9-7-21)28-15-17-29(18-16-28)25(31)20-10-13-30(14-11-20)34(32,33)23-5-1-3-19-4-2-12-27-24(19)23/h1-9,12,20H,10-11,13-18H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 3.83E+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/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM37184
PNG
(MLS000118441 | N-(2,4-dimethoxybenzyl)-4-methyl-fu...)
Show SMILES COc1ccc(CNC(=O)c2cc3c(C)nc4ccccc4c3o2)c(OC)c1
Show InChI InChI=1S/C22H20N2O4/c1-13-17-11-20(28-21(17)16-6-4-5-7-18(16)24-13)22(25)23-12-14-8-9-15(26-2)10-19(14)27-3/h4-11H,12H2,1-3H3,(H,23,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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)


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


(Homo sapiens (Human))
BDBM37200
PNG
(1-(2,4-dimethylphenyl)-4-(4-ethoxyphenyl)sulfonyl-...)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(C)cc1C
Show InChI InChI=1S/C20H26N2O3S/c1-4-25-18-6-8-19(9-7-18)26(23,24)22-13-11-21(12-14-22)20-10-5-16(2)15-17(20)3/h5-10,15H,4,11-14H2,1-3H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
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)


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


(Homo sapiens (Human))
BDBM37203
PNG
(6-(2-methyl-2,3-dihydroindol-1-yl)-7H-purine | 6-(...)
Show SMILES CC1Cc2ccccc2N1c1ncnc2nc[nH]c12
Show InChI InChI=1S/C14H13N5/c1-9-6-10-4-2-3-5-11(10)19(9)14-12-13(16-7-15-12)17-8-18-14/h2-5,7-9H,6H2,1H3,(H,15,16,17,18)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.14E+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/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM30979
PNG
(1-[3-(2-ketopyrrolidino)propyl]-4-[2-(trifluoromet...)
Show SMILES COC(=O)C1=CN(CCCN2CCCC2=O)C=C(C1c1ccccc1C(F)(F)F)C(=O)OC
Show InChI InChI=1S/C23H25F3N2O5/c1-32-21(30)16-13-27(10-6-12-28-11-5-9-19(28)29)14-17(22(31)33-2)20(16)15-7-3-4-8-18(15)23(24,25)26/h3-4,7-8,13-14,20H,5-6,9-12H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
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)


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


(Homo sapiens (Human))
BDBM32800
PNG
(MLS000114081 | N-(8-methoxy-4,5-dihydrobenzo[e][1,...)
Show SMILES COc1ccc2CCc3sc(NC(=O)c4cccs4)nc3-c2c1
Show InChI InChI=1S/C17H14N2O2S2/c1-21-11-6-4-10-5-7-13-15(12(10)9-11)18-17(23-13)19-16(20)14-3-2-8-22-14/h2-4,6,8-9H,5,7H2,1H3,(H,18,19,20)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.62E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25X2795
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 508 total )  |  Next  |  Last  >>
* indicates data uncertainty>20%