Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50313352'   

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))	BDBM50313352 (6-(cyclohexyl(methyl)amino)-N-(6-methyl-1H-indazol...) Show SMILES CN(C1CCCCC1)c1cc(ncn1)C(=O)Nc1cc2cn[nH]c2cc1C Show InChI InChI=1S/C20H24N6O/c1-13-8-17-14(11-23-25-17)9-16(13)24-20(27)18-10-19(22-12-21-18)26(2)15-6-4-3-5-7-15/h8-12,15H,3-7H2,1-2H3,(H,23,25)(H,24,27)	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	n/a	n/a	211	n/a	n/a	n/a	n/a
Merck Serono SA Curated by ChEMBL					Assay Description Agonist activity at S1P1 receptor expressed in CHO cells after 60 mins by [35S]-GTPgammaS binding assay				Bioorg Med Chem Lett 20: 1516-9 (2010) Article DOI: 10.1016/j.bmcl.2010.01.102 BindingDB Entry DOI: 10.7270/Q2J38SQK
					More data for this Ligand-Target Pair
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM50313352 (6-(cyclohexyl(methyl)amino)-N-(6-methyl-1H-indazol...) Show SMILES CN(C1CCCCC1)c1cc(ncn1)C(=O)Nc1cc2cn[nH]c2cc1C Show InChI InChI=1S/C20H24N6O/c1-13-8-17-14(11-23-25-17)9-16(13)24-20(27)18-10-19(22-12-21-18)26(2)15-6-4-3-5-7-15/h8-12,15H,3-7H2,1-2H3,(H,23,25)(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	n/a	n/a	211	n/a	n/a	7.4	30
MERCK SERONO SA US Patent					Assay Description Measurements of 35S-GTPgammaS Binding: Membranes (1 to 10 µg protein) prepared as described above, were incubated in 96-well Scintiplates (PerkinElm...				US Patent US9150519 (2015) BindingDB Entry DOI: 10.7270/Q2H993ZK
					More data for this Ligand-Target Pair