BDBM50190149 CHEMBL3827041

SMILES: [H][C@]12Oc3c(c(ccc3C)[C@@H](C)OC[C@H](O)CNC(C)(C)Cc3ccc(SC)c(F)c3)[C@@]1([H])[C@@H]2C(O)=O

InChI Key: InChIKey=KQHRSQLTCOTZSL-WUFDQLBWSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50190149   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Calcium-sensing receptor (CaSR) (Homo sapiens (Human))	BDBM50190149 (CHEMBL3827041) Show SMILES [H][C@]12Oc3c(c(ccc3C)[C@@H](C)OC[C@H](O)CNC(C)(C)Cc3ccc(SC)c(F)c3)[C@@]1([H])[C@@H]2C(O)=O |r| Show InChI InChI=1S/C27H34FNO5S/c1-14-6-8-18(21-22-23(26(31)32)25(22)34-24(14)21)15(2)33-13-17(30)12-29-27(3,4)11-16-7-9-20(35-5)19(28)10-16/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	PubMed	n/a	n/a	28	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) BindingDB Entry DOI: 10.7270/Q29S1SZS
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