BDBM50190165 CHEMBL3827577

SMILES: [H][C@]12Oc3c(c(ccc3C)[C@@H](C)OC[C@H](O)CNC(C)(C)CCSc3ccccc3)[C@@]1([H])[C@@H]2C(O)=O

InChI Key: InChIKey=DFZAHFFFYUNVCF-VKPAFFLJSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50190165   

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))	BDBM50190165 (CHEMBL3827577) Show SMILES [H][C@]12Oc3c(c(ccc3C)[C@@H](C)OC[C@H](O)CNC(C)(C)CCSc3ccccc3)[C@@]1([H])[C@@H]2C(O)=O |r| Show InChI InChI=1S/C27H35NO5S/c1-16-10-11-20(21-22-23(26(30)31)25(22)33-24(16)21)17(2)32-15-18(29)14-28-27(3,4)12-13-34-19-8-6-5-7-9-19/h5-11,17-18,22-23,25,28-29H,12-15H2,1-4H3,(H,30,31)/t17-,18-,22+,23+,25+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	51	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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