Compile Data Set for Download or QSAR

Found 29 hits Enz. Inhib. hit(s) with all data for entry = 50000381   

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))	BDBM50248369 (CHEMBL4076530) Show SMILES COCc1cc(ccc1-c1ccccc1C)-c1nc(no1)-c1cccc(OCC(O)=O)c1 Show InChI InChI=1S/C25H22N2O5/c1-16-6-3-4-9-21(16)22-11-10-18(12-19(22)14-30-2)25-26-24(27-32-25)17-7-5-8-20(13-17)31-15-23(28)29/h3-13H,14-15H2,1-2H3,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [33P]-S1P from S1P1 receptor (unknown origin) expressed in CHOK1 cells after 60 mins by microbeta scintillation proximity assay				J Med Chem 60: 5267-5289 (2017) Article DOI: 10.1021/acs.jmedchem.6b01575 BindingDB Entry DOI: 10.7270/Q2930WM8
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50248368 (CHEMBL4085783) Show SMILES COCc1cc(ccc1-c1ccccc1C)-c1nc(no1)-c1ccc(cc1)-c1ccc(C(O)=O)c(F)c1 Show InChI InChI=1S/C30H23FN2O4/c1-18-5-3-4-6-24(18)25-13-12-22(15-23(25)17-36-2)29-32-28(33-37-29)20-9-7-19(8-10-20)21-11-14-26(30(34)35)27(31)16-21/h3-16H,17H2,1-2H3,(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [33P]-S1P from S1P1 receptor (unknown origin) expressed in CHOK1 cells after 60 mins by microbeta scintillation proximity assay				J Med Chem 60: 5267-5289 (2017) Article DOI: 10.1021/acs.jmedchem.6b01575 BindingDB Entry DOI: 10.7270/Q2930WM8
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50248369 (CHEMBL4076530) Show SMILES COCc1cc(ccc1-c1ccccc1C)-c1nc(no1)-c1cccc(OCC(O)=O)c1 Show InChI InChI=1S/C25H22N2O5/c1-16-6-3-4-9-21(16)22-11-10-18(12-19(22)14-30-2)25-26-24(27-32-25)17-7-5-8-20(13-17)31-15-23(28)29/h3-13H,14-15H2,1-2H3,(H,28,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.04E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [33P]-S1P from S1P3 receptor (unknown origin) expressed in CHOK1 cells after 60 mins by microbeta scintillation proximity assay				J Med Chem 60: 5267-5289 (2017) Article DOI: 10.1021/acs.jmedchem.6b01575 BindingDB Entry DOI: 10.7270/Q2930WM8
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50248368 (CHEMBL4085783) Show SMILES COCc1cc(ccc1-c1ccccc1C)-c1nc(no1)-c1ccc(cc1)-c1ccc(C(O)=O)c(F)c1 Show InChI InChI=1S/C30H23FN2O4/c1-18-5-3-4-6-24(18)25-13-12-22(15-23(25)17-36-2)29-32-28(33-37-29)20-9-7-19(8-10-20)21-11-14-26(30(34)35)27(31)16-21/h3-16H,17H2,1-2H3,(H,34,35)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [33P]-S1P from S1P3 receptor (unknown origin) expressed in CHOK1 cells after 60 mins by microbeta scintillation proximity assay				J Med Chem 60: 5267-5289 (2017) Article DOI: 10.1021/acs.jmedchem.6b01575 BindingDB Entry DOI: 10.7270/Q2930WM8
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50248420 (CHEMBL115713) Show SMILES CCCCCCCCc1ccc(CC[C@@H](N)C[C@H](O)P(O)(O)=O)cc1 Show InChI InChI=1S/C19H34NO4P/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)13-14-18(20)15-19(21)25(22,23)24/h9-12,18-19,21H,2-8,13-15,20H2,1H3,(H2,22,23,24)/t18-,19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [33P]-S1P from human S1P1 receptor expressed in CHO cell membranes				J Med Chem 60: 5267-5289 (2017) Article DOI: 10.1021/acs.jmedchem.6b01575 BindingDB Entry DOI: 10.7270/Q2930WM8
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50148418 (CHEMBL119256 | [3-(4-Octyl-benzylamino)-propyl]-ph...) Show SMILES CCCCCCCCc1ccc(CNCCCP(O)(O)=O)cc1 Show InChI InChI=1S/C18H32NO3P/c1-2-3-4-5-6-7-9-17-10-12-18(13-11-17)16-19-14-8-15-23(20,21)22/h10-13,19H,2-9,14-16H2,1H3,(H2,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [33P]-S1P from human S1P1 receptor expressed in CHO cell membranes				J Med Chem 60: 5267-5289 (2017) Article DOI: 10.1021/acs.jmedchem.6b01575 BindingDB Entry DOI: 10.7270/Q2930WM8
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50147714 (CHEMBL432067 | Phosphoric acid mono-[2-amino-4-(4-...) Show SMILES CCCCCCCCc1ccc(CCC(N)COP(O)(O)=O)cc1 Show InChI InChI=1S/C18H32NO4P/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)13-14-18(19)15-23-24(20,21)22/h9-12,18H,2-8,13-15,19H2,1H3,(H2,20,21,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.710	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [33P]-S1P from human S1P3 receptor expressed in CHO cell membranes				J Med Chem 60: 5267-5289 (2017) Article DOI: 10.1021/acs.jmedchem.6b01575 BindingDB Entry DOI: 10.7270/Q2930WM8
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50147714 (CHEMBL432067 | Phosphoric acid mono-[2-amino-4-(4-...) Show SMILES CCCCCCCCc1ccc(CCC(N)COP(O)(O)=O)cc1 Show InChI InChI=1S/C18H32NO4P/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)13-14-18(19)15-23-24(20,21)22/h9-12,18H,2-8,13-15,19H2,1H3,(H2,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.760	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [33P]-S1P from human S1P1 receptor expressed in CHO cell membranes				J Med Chem 60: 5267-5289 (2017) Article DOI: 10.1021/acs.jmedchem.6b01575 BindingDB Entry DOI: 10.7270/Q2930WM8
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50148418 (CHEMBL119256 | [3-(4-Octyl-benzylamino)-propyl]-ph...) Show SMILES CCCCCCCCc1ccc(CNCCCP(O)(O)=O)cc1 Show InChI InChI=1S/C18H32NO3P/c1-2-3-4-5-6-7-9-17-10-12-18(13-11-17)16-19-14-8-15-23(20,21)22/h10-13,19H,2-9,14-16H2,1H3,(H2,20,21,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [33P]-S1P from human S1P3 receptor expressed in CHO cell membranes				J Med Chem 60: 5267-5289 (2017) Article DOI: 10.1021/acs.jmedchem.6b01575 BindingDB Entry DOI: 10.7270/Q2930WM8
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50147706 (CHEMBL114584 | [3-Amino-3-hydroxymethyl-5-(4-octyl...) Show SMILES CCCCCCCCc1ccc(CCC(N)(CO)CCP(O)(O)=O)cc1 Show InChI InChI=1S/C20H36NO4P/c1-2-3-4-5-6-7-8-18-9-11-19(12-10-18)13-14-20(21,17-22)15-16-26(23,24)25/h9-12,22H,2-8,13-17,21H2,1H3,(H2,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [33P]-S1P from S1P1 receptor (unknown origin) expressed in CHO cell membranes				J Med Chem 60: 5267-5289 (2017) Article DOI: 10.1021/acs.jmedchem.6b01575 BindingDB Entry DOI: 10.7270/Q2930WM8
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50147706 (CHEMBL114584 | [3-Amino-3-hydroxymethyl-5-(4-octyl...) Show SMILES CCCCCCCCc1ccc(CCC(N)(CO)CCP(O)(O)=O)cc1 Show InChI InChI=1S/C20H36NO4P/c1-2-3-4-5-6-7-8-18-9-11-19(12-10-18)13-14-20(21,17-22)15-16-26(23,24)25/h9-12,22H,2-8,13-17,21H2,1H3,(H2,23,24,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [33P]-S1P from S1P3 receptor (unknown origin) expressed in CHO cell membranes				J Med Chem 60: 5267-5289 (2017) Article DOI: 10.1021/acs.jmedchem.6b01575 BindingDB Entry DOI: 10.7270/Q2930WM8
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50248366 (CHEMBL4072987) Show SMILES CCCCCCCCc1ccc(CNCCCC(O)=O)cc1 Show InChI InChI=1S/C19H31NO2/c1-2-3-4-5-6-7-9-17-11-13-18(14-12-17)16-20-15-8-10-19(21)22/h11-14,20H,2-10,15-16H2,1H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.70	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [33P]-S1P from human S1P1 receptor expressed in CHO cell membranes				J Med Chem 60: 5267-5289 (2017) Article DOI: 10.1021/acs.jmedchem.6b01575 BindingDB Entry DOI: 10.7270/Q2930WM8
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50248363 (CHEMBL4095976) Show SMILES CCCCCCCCc1ccc(CC[C@@H](N)CCP(O)(O)=O)cc1 |r| Show InChI InChI=1S/C19H34NO3P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20)15-16-24(21,22)23/h9-12,19H,2-8,13-16,20H2,1H3,(H2,21,22,23)/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [33P]-S1P from human S1P1 receptor expressed in CHO cell membranes				J Med Chem 60: 5267-5289 (2017) Article DOI: 10.1021/acs.jmedchem.6b01575 BindingDB Entry DOI: 10.7270/Q2930WM8
					More data for this Ligand-Target Pair
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human))	BDBM50248367 (CHEMBL4063386) Show SMILES CC(C)(C)[C@H]1CC[C@@H](CC1)Oc1cccc(c1)-c1cc(F)cc(CNCCC(O)=O)c1 |r,wU:4.3,wD:7.10,(4.42,-34.5,;5.18,-35.82,;4.42,-37.16,;3.64,-35.82,;6.73,-35.82,;7.5,-34.5,;9.04,-34.49,;9.8,-35.82,;9.05,-37.16,;7.5,-37.16,;11.34,-35.82,;12.12,-37.15,;11.36,-38.48,;12.13,-39.81,;13.67,-39.81,;14.43,-38.48,;13.67,-37.15,;15.97,-38.47,;16.73,-37.14,;18.27,-37.14,;19.03,-35.8,;19.05,-38.48,;18.28,-39.81,;19.04,-41.15,;20.59,-41.15,;21.36,-39.82,;22.9,-39.82,;23.67,-38.48,;25.21,-38.48,;22.9,-37.15,;16.74,-39.81,)| Show InChI InChI=1S/C26H34FNO3/c1-26(2,3)21-7-9-23(10-8-21)31-24-6-4-5-19(16-24)20-13-18(14-22(27)15-20)17-28-12-11-25(29)30/h4-6,13-16,21,23,28H,7-12,17H2,1-3H3,(H,29,30)/t21-,23-	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of human ATX using FS-3 as substrate incubated for 30 mins followed by substrate addition measured for 2 hrs by FRET assay				J Med Chem 60: 5267-5289 (2017) Article DOI: 10.1021/acs.jmedchem.6b01575 BindingDB Entry DOI: 10.7270/Q2930WM8
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50248364 (CHEMBL4077381) Show SMILES CCCCCCCCc1ccc(CNCCCP(C)(O)=O)cc1 Show InChI InChI=1S/C19H34NO2P/c1-3-4-5-6-7-8-10-18-11-13-19(14-12-18)17-20-15-9-16-23(2,21)22/h11-14,20H,3-10,15-17H2,1-2H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [33P]-S1P from human S1P1 receptor expressed in CHO cell membranes				J Med Chem 60: 5267-5289 (2017) Article DOI: 10.1021/acs.jmedchem.6b01575 BindingDB Entry DOI: 10.7270/Q2930WM8
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM192124 (US9187437, 2) Show SMILES Fc1cc(F)cc(c1)C1(CCc2nc(no2)-c2cc[nH]c(=O)c2)CCCCC1 Show InChI InChI=1S/C21H21F2N3O2/c22-16-11-15(12-17(23)13-16)21(6-2-1-3-7-21)8-4-19-25-20(26-28-19)14-5-9-24-18(27)10-14/h5,9-13H,1-4,6-8H2,(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [33P]-S1P from human S1P1 receptor expressed in CHO cell membranes after 45 mins				J Med Chem 60: 5267-5289 (2017) Article DOI: 10.1021/acs.jmedchem.6b01575 BindingDB Entry DOI: 10.7270/Q2930WM8
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50248420 (CHEMBL115713) Show SMILES CCCCCCCCc1ccc(CC[C@@H](N)C[C@H](O)P(O)(O)=O)cc1 Show InChI InChI=1S/C19H34NO4P/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)13-14-18(20)15-19(21)25(22,23)24/h9-12,18-19,21H,2-8,13-15,20H2,1H3,(H2,22,23,24)/t18-,19-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [33P]-S1P from human S1P3 receptor expressed in CHO cell membranes				J Med Chem 60: 5267-5289 (2017) Article DOI: 10.1021/acs.jmedchem.6b01575 BindingDB Entry DOI: 10.7270/Q2930WM8
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50248365 (CHEMBL4090982) Show SMILES CCCCCCCCc1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C19H29NO2/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)13-20-14-18(15-20)19(21)22/h9-12,18H,2-8,13-15H2,1H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [33P]-S1P from human S1P1 receptor expressed in CHO cell membranes				J Med Chem 60: 5267-5289 (2017) Article DOI: 10.1021/acs.jmedchem.6b01575 BindingDB Entry DOI: 10.7270/Q2930WM8
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50248364 (CHEMBL4077381) Show SMILES CCCCCCCCc1ccc(CNCCCP(C)(O)=O)cc1 Show InChI InChI=1S/C19H34NO2P/c1-3-4-5-6-7-8-10-18-11-13-19(14-12-18)17-20-15-9-16-23(2,21)22/h11-14,20H,3-10,15-17H2,1-2H3,(H,21,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [33P]-S1P from human S1P3 receptor expressed in CHO cell membranes				J Med Chem 60: 5267-5289 (2017) Article DOI: 10.1021/acs.jmedchem.6b01575 BindingDB Entry DOI: 10.7270/Q2930WM8
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50248363 (CHEMBL4095976) Show SMILES CCCCCCCCc1ccc(CC[C@@H](N)CCP(O)(O)=O)cc1 |r| Show InChI InChI=1S/C19H34NO3P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20)15-16-24(21,22)23/h9-12,19H,2-8,13-16,20H2,1H3,(H2,21,22,23)/t19-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [33P]-S1P from human S1P3 receptor expressed in CHO cell membranes				J Med Chem 60: 5267-5289 (2017) Article DOI: 10.1021/acs.jmedchem.6b01575 BindingDB Entry DOI: 10.7270/Q2930WM8
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50248366 (CHEMBL4072987) Show SMILES CCCCCCCCc1ccc(CNCCCC(O)=O)cc1 Show InChI InChI=1S/C19H31NO2/c1-2-3-4-5-6-7-9-17-11-13-18(14-12-17)16-20-15-8-10-19(21)22/h11-14,20H,2-10,15-16H2,1H3,(H,21,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [33P]-S1P from human S1P3 receptor expressed in CHO cell membranes				J Med Chem 60: 5267-5289 (2017) Article DOI: 10.1021/acs.jmedchem.6b01575 BindingDB Entry DOI: 10.7270/Q2930WM8
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50248365 (CHEMBL4090982) Show SMILES CCCCCCCCc1ccc(CN2CC(C2)C(O)=O)cc1 Show InChI InChI=1S/C19H29NO2/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)13-20-14-18(15-20)19(21)22/h9-12,18H,2-8,13-15H2,1H3,(H,21,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Displacement of [33P]-S1P from human S1P3 receptor expressed in CHO cell membranes				J Med Chem 60: 5267-5289 (2017) Article DOI: 10.1021/acs.jmedchem.6b01575 BindingDB Entry DOI: 10.7270/Q2930WM8
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50248417 (CHEMBL4076418) Show SMILES CCc1cc(-c2noc(n2)-c2cc(-c3ccccc3)n(CC)n2)c(C)[nH]c1=O Show InChI InChI=1S/C21H21N5O2/c1-4-14-11-16(13(3)22-20(14)27)19-23-21(28-25-19)17-12-18(26(5-2)24-17)15-9-7-6-8-10-15/h6-12H,4-5H2,1-3H3,(H,22,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	16	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S] GTPgammaS binding based scintillation counting analysi...				J Med Chem 60: 5267-5289 (2017) Article DOI: 10.1021/acs.jmedchem.6b01575 BindingDB Entry DOI: 10.7270/Q2930WM8
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50248418 (CHEMBL4081304) Show SMILES O[C@H](C(=O)NC1(CC1)C#N)c1ccc(cc1)-c1noc(n1)-c1onc(c1C(F)(F)F)-c1ccccc1 |r| Show InChI InChI=1S/C24H16F3N5O4/c25-24(26,27)16-17(13-4-2-1-3-5-13)31-35-19(16)22-29-20(32-36-22)15-8-6-14(7-9-15)18(33)21(34)30-23(12-28)10-11-23/h1-9,18,33H,10-11H2,(H,30,34)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	15	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S] GTPgammaS binding based scintillation counting analysi...				J Med Chem 60: 5267-5289 (2017) Article DOI: 10.1021/acs.jmedchem.6b01575 BindingDB Entry DOI: 10.7270/Q2930WM8
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM192126 (US9187437, 7) Show SMILES C(CC1(CCCCC1)c1ccccc1)c1nc(no1)-c1ccccc1 Show InChI InChI=1S/C22H24N2O/c1-4-10-18(11-5-1)21-23-20(25-24-21)14-17-22(15-8-3-9-16-22)19-12-6-2-7-13-19/h1-2,4-7,10-13H,3,8-9,14-17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	130	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in CHO cell membranes after 45 mins by [35S] GTPgammaS binding based scintillation counting analysi...				J Med Chem 60: 5267-5289 (2017) Article DOI: 10.1021/acs.jmedchem.6b01575 BindingDB Entry DOI: 10.7270/Q2930WM8
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM139203 (US8889668, I33) Show SMILES COc1ccc(F)cc1-c1noc(n1)-c1ccc(c(C)c1)-c1ccccc1C Show InChI InChI=1S/C23H19FN2O2/c1-14-6-4-5-7-18(14)19-10-8-16(12-15(19)2)23-25-22(26-28-23)20-13-17(24)9-11-21(20)27-3/h4-13H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Agonist activity at S1P1 receptor (unknown origin) expressed in CHO cell membranes after 60 mins by [35S] GTPgammaS binding based scintillation count...				J Med Chem 60: 5267-5289 (2017) Article DOI: 10.1021/acs.jmedchem.6b01575 BindingDB Entry DOI: 10.7270/Q2930WM8
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM192126 (US9187437, 7) Show SMILES C(CC1(CCCCC1)c1ccccc1)c1nc(no1)-c1ccccc1 Show InChI InChI=1S/C22H24N2O/c1-4-10-18(11-5-1)21-23-20(25-24-21)14-17-22(15-8-3-9-16-22)19-12-6-2-7-13-19/h1-2,4-7,10-13H,3,8-9,14-17H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	630	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor expressed in CHO cell membranes after 45 mins by [35S] GTPgammaS binding based scintillation counting analysi...				J Med Chem 60: 5267-5289 (2017) Article DOI: 10.1021/acs.jmedchem.6b01575 BindingDB Entry DOI: 10.7270/Q2930WM8
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 3 (Homo sapiens (Human))	BDBM50248418 (CHEMBL4081304) Show SMILES O[C@H](C(=O)NC1(CC1)C#N)c1ccc(cc1)-c1noc(n1)-c1onc(c1C(F)(F)F)-c1ccccc1 |r| Show InChI InChI=1S/C24H16F3N5O4/c25-24(26,27)16-17(13-4-2-1-3-5-13)31-35-19(16)22-29-20(32-36-22)15-8-6-14(7-9-15)18(33)21(34)30-23(12-28)10-11-23/h1-9,18,33H,10-11H2,(H,30,34)/t18-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>3.10E+4	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Agonist activity at human S1P3 receptor expressed in CHO cell membranes after 45 mins by [35S] GTPgammaS binding based scintillation counting analysi...				J Med Chem 60: 5267-5289 (2017) Article DOI: 10.1021/acs.jmedchem.6b01575 BindingDB Entry DOI: 10.7270/Q2930WM8
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50248419 (CHEMBL4100453) Show SMILES CC(C)Oc1ccc(cc1C#N)C#Cc1ccc(Cn2ccnc2)cc1Cl Show InChI InChI=1S/C22H18ClN3O/c1-16(2)27-22-8-5-17(11-20(22)13-24)3-6-19-7-4-18(12-21(19)23)14-26-10-9-25-15-26/h4-5,7-12,15-16H,14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.5	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in cell membranes after 30 mins by [35S] GTPgammaS binding based scintillation counting analysis				J Med Chem 60: 5267-5289 (2017) Article DOI: 10.1021/acs.jmedchem.6b01575 BindingDB Entry DOI: 10.7270/Q2930WM8
					More data for this Ligand-Target Pair