Compile Data Set for Download or QSAR

Found 508 hits Enz. Inhib. hit(s) with all data for entry = 3895   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM37264 (3,5-dimethyl-4-[4-(2-methylphenoxy)butyl]-1H-pyraz...) Show SMILES Cc1n[nH]c(C)c1CCCCOc1ccccc1C Show InChI InChI=1S/C16H22N2O/c1-12-8-4-5-10-16(12)19-11-7-6-9-15-13(2)17-18-14(15)3/h4-5,8,10H,6-7,9,11H2,1-3H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	6.74E+3	n/a	n/a	n/a	n/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/Q2251GJ9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM31083 (MLS000107813 | SMR000103777 | [4-(4,7-dimethyl-1,3...) Show SMILES CC(=O)Oc1ccc(cc1)-n1c(O)c2c(c1O)C1(C)OC2(C)C=C1 |c:25,TLB:15:14:19:22.23,THB:11:13:19:22.23| Show InChI InChI=1S/C18H17NO5/c1-10(20)23-12-6-4-11(5-7-12)19-15(21)13-14(16(19)22)18(3)9-8-17(13,2)24-18/h4-9,21-22H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.18E+4	n/a	n/a	n/a	n/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/Q2251GJ9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM37265 (4-(2-furoylamino)benzoic acid cyclohexyl ester | 4...) Show SMILES O=C(Nc1ccc(cc1)C(=O)OC1CCCCC1)c1ccco1 Show InChI InChI=1S/C18H19NO4/c20-17(16-7-4-12-22-16)19-14-10-8-13(9-11-14)18(21)23-15-5-2-1-3-6-15/h4,7-12,15H,1-3,5-6H2,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.34E+4	n/a	n/a	n/a	n/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/Q2251GJ9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM37266 (4-[(4-phenyl-1-piperazinyl)methyl]quinoline | 4-[(...) Show SMILES C(N1CCN(CC1)c1ccccc1)c1ccnc2ccccc12 Show InChI InChI=1S/C20H21N3/c1-2-6-18(7-3-1)23-14-12-22(13-15-23)16-17-10-11-21-20-9-5-4-8-19(17)20/h1-11H,12-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	9.24E+3	n/a	n/a	n/a	n/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/Q2251GJ9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM37267 (2-cyclohexyl-1,3-diketo-isoindoline-5-carboxylic a...) Show SMILES CCOC(=O)c1ccc2C(=O)N(C3CCCCC3)C(=O)c2c1 Show InChI InChI=1S/C17H19NO4/c1-2-22-17(21)11-8-9-13-14(10-11)16(20)18(15(13)19)12-6-4-3-5-7-12/h8-10,12H,2-7H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	>9.50E+4	n/a	n/a	n/a	n/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/Q2251GJ9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM37268 (2-[3-(4-methoxyphenoxy)propylsulfanyl]pyrimidine |...) Show SMILES COc1ccc(OCCCSc2ncccn2)cc1 Show InChI InChI=1S/C14H16N2O2S/c1-17-12-4-6-13(7-5-12)18-10-3-11-19-14-15-8-2-9-16-14/h2,4-9H,3,10-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	5.73E+4	n/a	n/a	n/a	n/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/Q2251GJ9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM37270 (4-methyl-3-(4-methylphenyl)-1H-1,2,4-triazole-5-th...) Show SMILES Cc1ccc(cc1)-c1n[nH]c(=S)n1C Show InChI InChI=1S/C10H11N3S/c1-7-3-5-8(6-4-7)9-11-12-10(14)13(9)2/h3-6H,1-2H3,(H,12,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	>9.50E+4	n/a	n/a	n/a	n/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/Q2251GJ9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM37271 (1-(2-methylpropyl)-2-oxidanyl-4-oxidanylidene-N-(2...) Show SMILES CC(C)Cn1c2ccccc2c(O)c(C(=O)Nc2ccccc2S(N)(=O)=O)c1=O Show InChI InChI=1S/C20H21N3O5S/c1-12(2)11-23-15-9-5-3-7-13(15)18(24)17(20(23)26)19(25)22-14-8-4-6-10-16(14)29(21,27)28/h3-10,12,24H,11H2,1-2H3,(H,22,25)(H2,21,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.34E+4	n/a	n/a	n/a	n/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/Q2251GJ9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM37272 (3-(4-bromophenyl)-5-(2-methoxyphenyl)-1,2,4-oxadia...) Show SMILES COc1ccccc1-c1nc(no1)-c1ccc(Br)cc1 Show InChI InChI=1S/C15H11BrN2O2/c1-19-13-5-3-2-4-12(13)15-17-14(18-20-15)10-6-8-11(16)9-7-10/h2-9H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/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/Q2251GJ9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM37273 (1-(2-phenylethyl)-3-[4-[(E)-3-phenylprop-2-enyl]-1...) Show SMILES O=C1CC(N2CCN(C\C=C\c3ccccc3)CC2)C(=O)N1CCc1ccccc1 Show InChI InChI=1S/C25H29N3O2/c29-24-20-23(25(30)28(24)15-13-22-10-5-2-6-11-22)27-18-16-26(17-19-27)14-7-12-21-8-3-1-4-9-21/h1-12,23H,13-20H2/b12-7+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/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/Q2251GJ9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM37274 (1-benzofuran-2-yl-(6,7-dimethoxy-1-methyl-3,4-dihy...) Show SMILES COc1cc2CCN(C(C)c2cc1OC)C(=O)c1cc2ccccc2o1 Show InChI InChI=1S/C21H21NO4/c1-13-16-12-19(25-3)18(24-2)10-14(16)8-9-22(13)21(23)20-11-15-6-4-5-7-17(15)26-20/h4-7,10-13H,8-9H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>9.50E+4	n/a	n/a	n/a	n/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/Q2251GJ9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM37276 (4-[4-(2,3-dimethylphenoxy)butyl]-3,5-dimethyl-1H-p...) Show SMILES Cc1n[nH]c(C)c1CCCCOc1cccc(C)c1C Show InChI InChI=1S/C17H24N2O/c1-12-8-7-10-17(13(12)2)20-11-6-5-9-16-14(3)18-19-15(16)4/h7-8,10H,5-6,9,11H2,1-4H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	4.97E+3	n/a	n/a	n/a	n/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/Q2251GJ9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM37277 ((5-chloro-2-pyridyl)-(1,2,4-triazol-1-ylmethyl)ami...) Show SMILES Clc1ccc(NCn2cncn2)nc1 Show InChI InChI=1S/C8H8ClN5/c9-7-1-2-8(11-3-7)12-6-14-5-10-4-13-14/h1-5H,6H2,(H,11,12)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	>9.50E+4	n/a	n/a	n/a	n/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/Q2251GJ9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM37278 ((6E)-4-amino-6-(5-isopropyl-3H-1,3-benzoxazol-2-yl...) Show SMILES CC(C)c1ccc2oc(nc2c1)-c1cc(N)ccc1O Show InChI InChI=1S/C16H16N2O2/c1-9(2)10-3-6-15-13(7-10)18-16(20-15)12-8-11(17)4-5-14(12)19/h3-9,19H,17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	9.37E+3	n/a	n/a	n/a	n/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/Q2251GJ9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM34561 (MLS000104554 | N-(5-ethyl-1,3,4-thiadiazol-2-yl)cy...) Show SMILES CCc1nnc(NC(=O)C2CCCCC2)s1 Show InChI InChI=1S/C11H17N3OS/c1-2-9-13-14-11(16-9)12-10(15)8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H,12,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>9.50E+4	n/a	n/a	n/a	n/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/Q2251GJ9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM37279 (MLS000111933 | N-[4-[5-(hydroximinomethyl)-2-metho...) Show SMILES COc1ccc(CN=O)cc1COc1ccc(NC(C)=O)cc1 Show InChI InChI=1S/C17H18N2O4/c1-12(20)19-15-4-6-16(7-5-15)23-11-14-9-13(10-18-21)3-8-17(14)22-2/h3-9H,10-11H2,1-2H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	>9.50E+4	n/a	n/a	n/a	n/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/Q2251GJ9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM37280 (5-(3,4-dimethoxyphenyl)-3-[3-(trifluoromethyl)phen...) Show SMILES COc1ccc(cc1OC)-c1nc(no1)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C17H13F3N2O3/c1-23-13-7-6-11(9-14(13)24-2)16-21-15(22-25-16)10-4-3-5-12(8-10)17(18,19)20/h3-9H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.23E+4	n/a	n/a	n/a	n/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/Q2251GJ9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM37281 (4-[5-(2-methoxyphenoxy)pentyl]-3,5-dimethyl-1H-pyr...) Show SMILES COc1ccccc1OCCCCCc1c(C)n[nH]c1C Show InChI InChI=1S/C17H24N2O2/c1-13-15(14(2)19-18-13)9-5-4-8-12-21-17-11-7-6-10-16(17)20-3/h6-7,10-11H,4-5,8-9,12H2,1-3H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	9.84E+3	n/a	n/a	n/a	n/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/Q2251GJ9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM37282 (1-(2-dibenzofuranylsulfonyl)-N,N-diethyl-4-piperid...) Show SMILES CCN(CC)C(=O)C1CCN(CC1)S(=O)(=O)c1ccc2oc3ccccc3c2c1 Show InChI InChI=1S/C22H26N2O4S/c1-3-23(4-2)22(25)16-11-13-24(14-12-16)29(26,27)17-9-10-21-19(15-17)18-7-5-6-8-20(18)28-21/h5-10,15-16H,3-4,11-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.17E+4	n/a	n/a	n/a	n/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/Q2251GJ9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM37283 (1-[4-[(2-fluorophenyl)methoxy]phenyl]-N-(1,2,4-tri...) Show SMILES Fc1ccccc1COc1ccc(C=Nn2cnnc2)cc1 |w:14.15| Show InChI InChI=1S/C16H13FN4O/c17-16-4-2-1-3-14(16)10-22-15-7-5-13(6-8-15)9-20-21-11-18-19-12-21/h1-9,11-12H,10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	4.62E+3	n/a	n/a	n/a	n/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/Q2251GJ9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM37284 (5-bromanyl-N-(3-chloranyl-4-pyrrolidin-1-yl-phenyl...) Show SMILES Clc1cc(NC(=O)c2ccc(Br)o2)ccc1N1CCCC1 Show InChI InChI=1S/C15H14BrClN2O2/c16-14-6-5-13(21-14)15(20)18-10-3-4-12(11(17)9-10)19-7-1-2-8-19/h3-6,9H,1-2,7-8H2,(H,18,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	4.15E+3	n/a	n/a	n/a	n/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/Q2251GJ9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM37285 (4-(5-propan-2-yl-1,3-benzoxazol-2-yl)aniline | MLS...) Show SMILES CC(C)c1ccc2oc(nc2c1)-c1ccc(N)cc1 Show InChI InChI=1S/C16H16N2O/c1-10(2)12-5-8-15-14(9-12)18-16(19-15)11-3-6-13(17)7-4-11/h3-10H,17H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.64E+3	n/a	n/a	n/a	n/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/Q2251GJ9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36815 (6-Bromo-3-(4,5-dihydro-thiazol-2-ylsulfanylmethyl)...) Show SMILES Brc1ccc2n(CSC3=NCCS3)c(=O)oc2c1 |t:8| Show InChI InChI=1S/C11H9BrN2O2S2/c12-7-1-2-8-9(5-7)16-11(15)14(8)6-18-10-13-3-4-17-10/h1-2,5H,3-4,6H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	1.29E+4	n/a	n/a	n/a	n/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/Q2251GJ9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36817 (((4-Fluoro-phenyl)-{2-[5-(3-methoxy-phenyl)-[1,3,4...) Show SMILES CCOC(=O)CN(C(=O)CSc1nnc(o1)-c1cccc(OC)c1)c1ccc(F)cc1 Show InChI InChI=1S/C21H20FN3O5S/c1-3-29-19(27)12-25(16-9-7-15(22)8-10-16)18(26)13-31-21-24-23-20(30-21)14-5-4-6-17(11-14)28-2/h4-11H,3,12-13H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.17E+3	n/a	n/a	n/a	n/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/Q2251GJ9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36818 (MLS000068975 | N-[4-(5-Methyl-benzooxazol-2-yl)-ph...) Show SMILES Cc1ccc2oc(nc2c1)-c1ccc(NC(=O)c2cccnc2)cc1 Show InChI InChI=1S/C20H15N3O2/c1-13-4-9-18-17(11-13)23-20(25-18)14-5-7-16(8-6-14)22-19(24)15-3-2-10-21-12-15/h2-12H,1H3,(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.05E+3	n/a	n/a	n/a	n/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/Q2251GJ9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36819 (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)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.44E+4	n/a	n/a	n/a	n/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/Q2251GJ9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36820 (3-Ethyl-2-[(Z)-ethylimino]-4-oxo-3,4-dihydro-2H-[1...) Show SMILES CC\N=c1/sc(cc(=O)n1CC)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C17H21N3O2S/c1-3-18-17-20(4-2)15(21)12-14(23-17)16(22)19-11-10-13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3,(H,19,22)/b18-17-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	2.25E+4	n/a	n/a	n/a	n/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/Q2251GJ9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36821 (1,3-benzodioxol-5-ylmethyl 4-(4-fluorophenyl)-6-me...) Show SMILES CC1=NC(=O)NC(C1C(=O)OCc1ccc2OCOc2c1)c1ccc(F)cc1 |t:1| 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 antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	437	n/a	n/a	n/a	n/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/Q2251GJ9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36822 (1-(10,11-Dihydro-dibenzo[b,f]azepin-5-yl)-2-[5-(1H...) Show SMILES O=C(CSc1nnc(o1)-c1c[nH]c2ccccc12)N1c2ccccc2CCc2ccccc12 Show InChI InChI=1S/C26H20N4O2S/c31-24(30-22-11-5-1-7-17(22)13-14-18-8-2-6-12-23(18)30)16-33-26-29-28-25(32-26)20-15-27-21-10-4-3-9-19(20)21/h1-12,15,27H,13-14,16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	7.08E+3	n/a	n/a	n/a	n/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/Q2251GJ9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36823 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.68E+4	n/a	n/a	n/a	n/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/Q2251GJ9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36824 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	6.73E+3	n/a	n/a	n/a	n/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/Q2251GJ9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36825 ((6-Ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-...) Show SMILES CCc1c(C)nc2ncnn2c1NCCc1ccc(OC)cc1 Show InChI InChI=1S/C17H21N5O/c1-4-15-12(2)21-17-19-11-20-22(17)16(15)18-10-9-13-5-7-14(23-3)8-6-13/h5-8,11,18H,4,9-10H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	8.30E+3	n/a	n/a	n/a	n/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/Q2251GJ9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36826 (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 antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.09E+4	n/a	n/a	n/a	n/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/Q2251GJ9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36827 (5-Cyclopropyl-7-trifluoromethyl-4,5,6,7-tetrahydro...) Show SMILES FC(F)(F)C1CC(Nc2cc(nn12)C(=O)Nc1nc2CCCCc2s1)C1CC1 Show InChI InChI=1S/C18H20F3N5OS/c19-18(20,21)14-7-11(9-5-6-9)22-15-8-12(25-26(14)15)16(27)24-17-23-10-3-1-2-4-13(10)28-17/h8-9,11,14,22H,1-7H2,(H,23,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	996	n/a	n/a	n/a	n/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/Q2251GJ9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36828 (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 antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.63E+4	n/a	n/a	n/a	n/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/Q2251GJ9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36829 (5-Phenyl-7-[4-(5-trifluoromethyl-pyridin-2-yl)-pip...) Show SMILES FC(F)(F)c1ccc(nc1)N1CCN(CC1)c1cc(nc2ncnn12)-c1ccccc1 Show InChI InChI=1S/C21H18F3N7/c22-21(23,24)16-6-7-18(25-13-16)29-8-10-30(11-9-29)19-12-17(15-4-2-1-3-5-15)28-20-26-14-27-31(19)20/h1-7,12-14H,8-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	3.19E+4	n/a	n/a	n/a	n/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/Q2251GJ9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36830 (2-[3-keto-6-[(2-methoxyphenyl)carbamoyl]-2,2-dimet...) Show SMILES CCOC(=O)CN1C(=O)C(C)(C)Oc2ccc(cc12)C(=O)Nc1ccccc1OC Show InChI InChI=1S/C22H24N2O6/c1-5-29-19(25)13-24-16-12-14(10-11-18(16)30-22(2,3)21(24)27)20(26)23-15-8-6-7-9-17(15)28-4/h6-12H,5,13H2,1-4H3,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	4.29E+3	n/a	n/a	n/a	n/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/Q2251GJ9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM3256 (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)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	4.81E+3	n/a	n/a	n/a	n/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/Q2251GJ9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36832 (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)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	857	n/a	n/a	n/a	n/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/Q2251GJ9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM31040 (1-Ethyl-6-methyl-3-phenyl-1H-pyrimido[5,4-e][1,2,4...) Show SMILES CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccc1 Show InChI InChI=1S/C14H13N5O2/c1-3-19-12-10(13(20)18(2)14(21)16-12)15-11(17-19)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.55E+3	n/a	n/a	n/a	n/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/Q2251GJ9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36833 (2-(4-propoxyphenyl)-5-(4-pyridyl)-1,3,4-oxadiazole...) Show SMILES CCCOc1ccc(cc1)-c1nnc(o1)-c1ccncc1 Show InChI InChI=1S/C16H15N3O2/c1-2-11-20-14-5-3-12(4-6-14)15-18-19-16(21-15)13-7-9-17-10-8-13/h3-10H,2,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>9.50E+4	n/a	n/a	n/a	n/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/Q2251GJ9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36834 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	9.70E+3	n/a	n/a	n/a	n/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/Q2251GJ9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36835 (2-(5-Benzotriazol-1-ylmethyl-[1,3,4]oxadiazol-2-yl...) Show SMILES Fc1ccc(CN(C(=O)CSc2nnc(Cn3nnc4ccccc34)o2)c2ccccc2)cc1 Show InChI InChI=1S/C24H19FN6O2S/c25-18-12-10-17(11-13-18)14-30(19-6-2-1-3-7-19)23(32)16-34-24-28-27-22(33-24)15-31-21-9-5-4-8-20(21)26-29-31/h1-13H,14-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	5.09E+3	n/a	n/a	n/a	n/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/Q2251GJ9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36836 (MLS000070935 | N-(1,3-benzodioxol-5-yl)-2-[4-[4-(3...) Show SMILES COc1cccc(c1)-c1csc(n1)N1CCN(CC(=O)Nc2ccc3OCOc3c2)CC1 Show InChI InChI=1S/C23H24N4O4S/c1-29-18-4-2-3-16(11-18)19-14-32-23(25-19)27-9-7-26(8-10-27)13-22(28)24-17-5-6-20-21(12-17)31-15-30-20/h2-6,11-12,14H,7-10,13,15H2,1H3,(H,24,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/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/Q2251GJ9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36837 (MLS000034491 | N-[3-Chloro-4-(4-isobutyryl-piperaz...) Show SMILES CC(C)C(=O)N1CCN(CC1)c1ccc(NC(=O)COc2ccccc2C)cc1Cl Show InChI InChI=1S/C23H28ClN3O3/c1-16(2)23(29)27-12-10-26(11-13-27)20-9-8-18(14-19(20)24)25-22(28)15-30-21-7-5-4-6-17(21)3/h4-9,14,16H,10-13,15H2,1-3H3,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	1.68E+4	n/a	n/a	n/a	n/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/Q2251GJ9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36838 (1-ethenylsulfonyl-4-(4-ethenylsulfonylphenoxy)benz...) Show SMILES C=CS(=O)(=O)c1ccc(Oc2ccc(cc2)S(=O)(=O)C=C)cc1 Show InChI InChI=1S/C16H14O5S2/c1-3-22(17,18)15-9-5-13(6-10-15)21-14-7-11-16(12-8-14)23(19,20)4-2/h3-12H,1-2H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.74E+3	n/a	n/a	n/a	n/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/Q2251GJ9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36839 (3-Methyl-benzofuran-2-carboxylic acid (3-methyl-4-...) Show SMILES Cc1c(oc2ccccc12)C(=O)Nc1ccc(c(C)c1)-n1cnnn1 Show InChI InChI=1S/C18H15N5O2/c1-11-9-13(7-8-15(11)23-10-19-21-22-23)20-18(24)17-12(2)14-5-3-4-6-16(14)25-17/h3-10H,1-2H3,(H,20,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	7.44E+3	n/a	n/a	n/a	n/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/Q2251GJ9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36840 (2-(3,4-Diethoxy-phenyl)-5-furan-2-yl-[1,3,4]oxadia...) Show SMILES CCOc1ccc(cc1OCC)-c1nnc(o1)-c1ccco1 Show InChI InChI=1S/C16H16N2O4/c1-3-19-12-8-7-11(10-14(12)20-4-2)15-17-18-16(22-15)13-6-5-9-21-13/h5-10H,3-4H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.18E+3	n/a	n/a	n/a	n/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/Q2251GJ9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36841 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	568	n/a	n/a	n/a	n/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/Q2251GJ9
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM36842 (1-(3-Chloro-benzenesulfonyl)-3-[3-(3,4,5-trimethox...) Show SMILES COc1cc(cc(OC)c1OC)-c1noc(n1)C1CCCN(C1)S(=O)(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C22H24ClN3O6S/c1-29-18-10-15(11-19(30-2)20(18)31-3)21-24-22(32-25-21)14-6-5-9-26(13-14)33(27,28)17-8-4-7-16(23)12-17/h4,7-8,10-12,14H,5-6,9,13H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	3.83E+3	n/a	n/a	n/a	n/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/Q2251GJ9
					More data for this Ligand-Target Pair

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