Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Extracellular calcium-sensing receptor' and Ligand = 'BDBM50331958'   

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))	BDBM50331958 (CHEMBL1290006 | N-(1-Adamantyl)-5-tert-butyl-7-(tr...) Show SMILES CC(C)(C)[C@@H]1C[C@@H](n2ncc(C(=O)NC34CC5CC(CC(C5)C3)C4)c2N1)C(F)(F)F |r,THB:19:18:15:21.20.22,19:20:17.18.23:15,22:20:17:23.14.15,22:14:17:21.19.20,13:14:17:21.19.20| Show InChI InChI=1S/C22H31F3N4O/c1-20(2,3)16-7-17(22(23,24)25)29-18(27-16)15(11-26-29)19(30)28-21-8-12-4-13(9-21)6-14(5-12)10-21/h11-14,16-17,27H,4-10H2,1-3H3,(H,28,30)/t12?,13?,14?,16-,17+,21?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Antagonist activity at CaSR expressed in CHO cells assessed as [35S]-GTPgammaS binding by scintillation counting				Bioorg Med Chem 18: 8501-11 (2010) Article DOI: 10.1016/j.bmc.2010.10.035 BindingDB Entry DOI: 10.7270/Q2CJ8DRD
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