Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50313322'   

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))	BDBM50313322 (6-(cyclohexyl(ethyl)amino)-N-(4-hydroxy-2-methylph...) Show SMILES CCN(C1CCCCC1)c1cc(ncn1)C(=O)Nc1ccc(O)cc1C Show InChI InChI=1S/C20H26N4O2/c1-3-24(15-7-5-4-6-8-15)19-12-18(21-13-22-19)20(26)23-17-10-9-16(25)11-14(17)2/h9-13,15,25H,3-8H2,1-2H3,(H,23,26)	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	405	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))	BDBM50313322 (6-(cyclohexyl(ethyl)amino)-N-(4-hydroxy-2-methylph...) Show SMILES CCN(C1CCCCC1)c1cc(ncn1)C(=O)Nc1ccc(O)cc1C Show InChI InChI=1S/C20H26N4O2/c1-3-24(15-7-5-4-6-8-15)19-12-18(21-13-22-19)20(26)23-17-10-9-16(25)11-14(17)2/h9-13,15,25H,3-8H2,1-2H3,(H,23,26)	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	400	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