BDBM50190166 CHEMBL3827830

SMILES: [H][C@]12Oc3c(c(ccc3C)[C@@H](C)OC[C@H](O)CNC(C)(C)CCCc3ccccc3)[C@@]1([H])[C@@H]2C(O)=O

InChI Key: InChIKey=FURUKNZZIDSYGS-QZKWORHKSA-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 = 50190166   

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))	BDBM50190166 (CHEMBL3827830) Show SMILES [H][C@]12Oc3c(c(ccc3C)[C@@H](C)OC[C@H](O)CNC(C)(C)CCCc3ccccc3)[C@@]1([H])[C@@H]2C(O)=O |r| Show InChI InChI=1S/C28H37NO5/c1-17-12-13-21(22-23-24(27(31)32)26(23)34-25(17)22)18(2)33-16-20(30)15-29-28(3,4)14-8-11-19-9-6-5-7-10-19/h5-7,9-10,12-13,18,20,23-24,26,29-30H,8,11,14-16H2,1-4H3,(H,31,32)/t18-,20-,23+,24+,26+/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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