Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Extracellular calcium-sensing receptor' and Ligand = 'BDBM50444172'   

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))	BDBM50444172 (CHEMBL3093426) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nc(NC(=O)N(CCC(c2cccc(F)c2)c2cccc(F)c2)CCN2CCOCC2)sc1Cl Show InChI InChI=1S/C31H32ClF2N5O4S2/c32-29-28(21-7-9-26(10-8-21)45(35,41)42)36-30(44-29)37-31(40)39(14-13-38-15-17-43-18-16-38)12-11-27(22-3-1-5-24(33)19-22)23-4-2-6-25(34)20-23/h1-10,19-20,27H,11-18H2,(H2,35,41,42)(H,36,37,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	19	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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