Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50313319'   

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))	BDBM50313319 (6-(cycloheptylamino)-N-(4-hydroxy-2-methylphenyl)p...) Show SMILES Cc1cc(O)ccc1NC(=O)c1cc(NC2CCCCCC2)ncn1 Show InChI InChI=1S/C19H24N4O2/c1-13-10-15(24)8-9-16(13)23-19(25)17-11-18(21-12-20-17)22-14-6-4-2-3-5-7-14/h8-12,14,24H,2-7H2,1H3,(H,23,25)(H,20,21,22)	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	973	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))	BDBM50313319 (6-(cycloheptylamino)-N-(4-hydroxy-2-methylphenyl)p...) Show SMILES Cc1cc(O)ccc1NC(=O)c1cc(NC2CCCCCC2)ncn1 Show InChI InChI=1S/C19H24N4O2/c1-13-10-15(24)8-9-16(13)23-19(25)17-11-18(21-12-20-17)22-14-6-4-2-3-5-7-14/h8-12,14,24H,2-7H2,1H3,(H,23,25)(H,20,21,22)	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	970	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