Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Extracellular calcium-sensing receptor' and Ligand = 'BDBM50190168'   

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))	BDBM50190168 (CHEMBL3827304) Show SMILES [H][C@]12Oc3c(c(ccc3C)[C@@H](C)OC[C@H](O)CNC(C)(C)Cc3ccc4sccc4c3)[C@@]1([H])[C@@H]2C(O)=O |r| Show InChI InChI=1S/C28H33NO5S/c1-15-5-7-20(22-23-24(27(31)32)26(23)34-25(15)22)16(2)33-14-19(30)13-29-28(3,4)12-17-6-8-21-18(11-17)9-10-35-21/h5-11,16,19,23-24,26,29-30H,12-14H2,1-4H3,(H,31,32)/t16-,19-,23+,24+,26+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.60	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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