Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Extracellular calcium-sensing receptor' and Ligand = 'BDBM50190148'   

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))	BDBM50190148 (CHEMBL3828187) Show SMILES [H][C@]12Oc3c(c(ccc3C)[C@@H](C)OC[C@H](O)CNC(C)(C)Cc3ccc(OC)cc3Cl)[C@@]1([H])[C@@H]2C(O)=O |r| Show InChI InChI=1S/C27H34ClNO6/c1-14-6-9-19(21-22-23(26(31)32)25(22)35-24(14)21)15(2)34-13-17(30)12-29-27(3,4)11-16-7-8-18(33-5)10-20(16)28/h6-10,15,17,22-23,25,29-30H,11-13H2,1-5H3,(H,31,32)/t15-,17-,22+,23+,25+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at calcium sensing receptor (unknown origin) by cell based FLIPR assay				Bioorg Med Chem Lett 26: 4077-80 (2016) Article DOI: 10.1016/j.bmcl.2016.06.073 BindingDB Entry DOI: 10.7270/Q29S1SZS
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