Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Sphingosine 1-phosphate receptor 1' and Ligand = 'BDBM50399041'   

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))	BDBM50399041 (CHEMBL2178813) Show SMILES CN(C)CC[C@H](NC(=O)c1c(C)cc(cc1C)-c1cccc(NS(=O)(=O)c2cc(C)c(Cl)cc2C)c1)C(O)=O |r| Show InChI InChI=1S/C29H34ClN3O5S/c1-17-15-26(18(2)14-24(17)30)39(37,38)32-23-9-7-8-21(16-23)22-12-19(3)27(20(4)13-22)28(34)31-25(29(35)36)10-11-33(5)6/h7-9,12-16,25,32H,10-11H2,1-6H3,(H,31,34)(H,35,36)/t25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Antagonist activity at human S1P1R receptor expressed in CHO cell membranes by [35S]GTPgamma binding assay				J Med Chem 55: 9722-34 (2012) Article DOI: 10.1021/jm3009508 BindingDB Entry DOI: 10.7270/Q2K938PD
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