Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50532539'   

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))	BDBM50532539 (CHEMBL4569675) Show SMILES CCCc1c(noc1-c1ccccc1)-c1nc(no1)-c1ccc(cc1)C(O)CNCCC(O)=O Show InChI InChI=1S/C25H26N4O5/c1-2-6-19-22(28-33-23(19)17-7-4-3-5-8-17)25-27-24(29-34-25)18-11-9-16(10-12-18)20(30)15-26-14-13-21(31)32/h3-5,7-12,20,26,30H,2,6,13-15H2,1H3,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount method				J Med Chem 59: 6248-64 (2016) Article DOI: 10.1021/acs.jmedchem.6b00373 BindingDB Entry DOI: 10.7270/Q2FJ2M8Z
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50532539 (CHEMBL4569675) Show SMILES CCCc1c(noc1-c1ccccc1)-c1nc(no1)-c1ccc(cc1)C(O)CNCCC(O)=O Show InChI InChI=1S/C25H26N4O5/c1-2-6-19-22(28-33-23(19)17-7-4-3-5-8-17)25-27-24(29-34-25)18-11-9-16(10-12-18)20(30)15-26-14-13-21(31)32/h3-5,7-12,20,26,30H,2,6,13-15H2,1H3,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Displacement of [33P]S1P from human S1P1 expressed in CHO cell membranes measured after 45 mins by TopCount method				J Med Chem 59: 6248-64 (2016) Article DOI: 10.1021/acs.jmedchem.6b00373 BindingDB Entry DOI: 10.7270/Q2FJ2M8Z
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50532539 (CHEMBL4569675) Show SMILES CCCc1c(noc1-c1ccccc1)-c1nc(no1)-c1ccc(cc1)C(O)CNCCC(O)=O Show InChI InChI=1S/C25H26N4O5/c1-2-6-19-22(28-33-23(19)17-7-4-3-5-8-17)25-27-24(29-34-25)18-11-9-16(10-12-18)20(30)15-26-14-13-21(31)32/h3-5,7-12,20,26,30H,2,6,13-15H2,1H3,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	38	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assay				J Med Chem 59: 6248-64 (2016) Article DOI: 10.1021/acs.jmedchem.6b00373 BindingDB Entry DOI: 10.7270/Q2FJ2M8Z
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50532539 (CHEMBL4569675) Show SMILES CCCc1c(noc1-c1ccccc1)-c1nc(no1)-c1ccc(cc1)C(O)CNCCC(O)=O Show InChI InChI=1S/C25H26N4O5/c1-2-6-19-22(28-33-23(19)17-7-4-3-5-8-17)25-27-24(29-34-25)18-11-9-16(10-12-18)20(30)15-26-14-13-21(31)32/h3-5,7-12,20,26,30H,2,6,13-15H2,1H3,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	38	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at human S1P1 receptor expressed in CHO cell membranes measured after 45 mins by [35S]GTP-gammaS binding assay				J Med Chem 59: 6248-64 (2016) Article DOI: 10.1021/acs.jmedchem.6b00373 BindingDB Entry DOI: 10.7270/Q2FJ2M8Z
					More data for this Ligand-Target Pair