Compile Data Set for Download or QSAR
Found 1 Enz. Inhib. hit(s) with Target = 'Extracellular calcium-sensing receptor' and Ligand = 'BDBM50190159'
TargetExtracellular calcium-sensing receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50190159(CHEMBL3827356)
Show SMILES C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc(Cl)c(F)c1)c1ccc(C)c2O[C@H]3[C@@H]([C@H]3c12)C(O)=O
Show InChI InChI=1S/C26H31ClFNO5/c1-13-5-7-17(20-21-22(25(31)32)24(21)34-23(13)20)14(2)33-12-16(30)11-29-26(3,4)10-15-6-8-18(27)19(28)9-15/h5-9,14,16,21-22,24,29-30H,10-12H2,1-4H3,(H,31,32)/t14-,16-,21-,22-,24-/m1/s1
Affinity DataIC50: 77nMAssay Description:Antagonist activity at calcium sensing receptor (unknown origin) by cell based FLIPR assayMore data for this Ligand-Target Pair