Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50313341'   

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))	BDBM50313341 (6-(cyclohexyl(cyclopropylmethyl)amino)-N-(4-(methy...) Show SMILES CS(=O)(=O)c1ccc(NC(=O)c2cc(ncn2)N(CC2CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C22H28N4O3S/c1-30(28,29)19-11-9-17(10-12-19)25-22(27)20-13-21(24-15-23-20)26(14-16-7-8-16)18-5-3-2-4-6-18/h9-13,15-16,18H,2-8,14H2,1H3,(H,25,27)	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	193	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))	BDBM50313341 (6-(cyclohexyl(cyclopropylmethyl)amino)-N-(4-(methy...) Show SMILES CS(=O)(=O)c1ccc(NC(=O)c2cc(ncn2)N(CC2CC2)C2CCCCC2)cc1 Show InChI InChI=1S/C22H28N4O3S/c1-30(28,29)19-11-9-17(10-12-19)25-22(27)20-13-21(24-15-23-20)26(14-16-7-8-16)18-5-3-2-4-6-18/h9-13,15-16,18H,2-8,14H2,1H3,(H,25,27)	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	193	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