Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM192130'   

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))	BDBM192130 (US9187437, 26) Show SMILES COc1ccc(OC)c(c1)-c1noc(CCC2(CCCCC2)c2ccccc2)n1 Show InChI InChI=1S/C24H28N2O3/c1-27-19-11-12-21(28-2)20(17-19)23-25-22(29-26-23)13-16-24(14-7-4-8-15-24)18-9-5-3-6-10-18/h3,5-6,9-12,17H,4,7-8,13-16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8.10	n/a	n/a	n/a	n/a	7.5	25
BRISTOL-MYERS SQUIBB COMPANY US Patent					Assay Description Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH ...				US Patent US9187437 (2015) BindingDB Entry DOI: 10.7270/Q2JH3K0X
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM192130 (US9187437, 26) Show SMILES COc1ccc(OC)c(c1)-c1noc(CCC2(CCCCC2)c2ccccc2)n1 Show InChI InChI=1S/C24H28N2O3/c1-27-19-11-12-21(28-2)20(17-19)23-25-22(29-26-23)13-16-24(14-7-4-8-15-24)18-9-5-3-6-10-18/h3,5-6,9-12,17H,4,7-8,13-16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	4.90E+3	n/a	n/a	n/a	60
BRISTOL-MYERS SQUIBB COMPANY US Patent					Assay Description Compounds were loaded in a 384 Falcon v-bottom plate (0.5 ul/well in a 11 point, 3-fold dilution). Membranes prepared from S1P1/CHO cells or EDG3-G...				US Patent US9187437 (2015) BindingDB Entry DOI: 10.7270/Q2JH3K0X
					More data for this Ligand-Target Pair