Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Extracellular calcium-sensing receptor' and Ligand = 'BDBM50444170'   

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
Extracellular calcium-sensing receptor (Homo sapiens (Human))	BDBM50444170 (CHEMBL3093428) Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1nc(NC(=O)N(CCC(c2ccc(F)cc2)c2ccc(F)cc2)CCN2CCOCC2)sc1Cl Show InChI InChI=1S/C32H34ClF2N5O4S2/c1-46(42,43)38-27-12-6-24(7-13-27)29-30(33)45-31(36-29)37-32(41)40(17-16-39-18-20-44-21-19-39)15-14-28(22-2-8-25(34)9-3-22)23-4-10-26(35)11-5-23/h2-13,28,38H,14-21H2,1H3,(H,36,37,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Activation of human CaSR				Bioorg Med Chem Lett 23: 6625-8 (2013) Article DOI: 10.1016/j.bmcl.2013.10.050 BindingDB Entry DOI: 10.7270/Q2JD4Z7Z
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