BDBM50190161 CHEMBL3827410

SMILES: [H][C@]12Oc3c(c(ccc3C)[C@@H](C)OC[C@H](O)CNC(C)(C)Cc3ccc4ncccc4c3)[C@@]1([H])[C@@H]2C(O)=O

InChI Key: InChIKey=AUFHCQRDMDDYPT-HAGOEZSISA-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 = 50190161   

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))	BDBM50190161 (CHEMBL3827410) Show SMILES [H][C@]12Oc3c(c(ccc3C)[C@@H](C)OC[C@H](O)CNC(C)(C)Cc3ccc4ncccc4c3)[C@@]1([H])[C@@H]2C(O)=O |r| Show InChI InChI=1S/C29H34N2O5/c1-16-7-9-21(23-24-25(28(33)34)27(24)36-26(16)23)17(2)35-15-20(32)14-31-29(3,4)13-18-8-10-22-19(12-18)6-5-11-30-22/h5-12,17,20,24-25,27,31-32H,13-15H2,1-4H3,(H,33,34)/t17-,20-,24+,25+,27+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	457	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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