BDBM50190164 CHEMBL3827473

SMILES: [H][C@]12Oc3c(c(ccc3C)[C@@H](C)OC[C@H](O)CN3CCCC3Cc3ccccc3)[C@@]1([H])[C@@H]2C(O)=O

InChI Key: InChIKey=MKYDOQNDQXTPHE-ARWWCMQWSA-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 = 50190164   

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))	BDBM50190164 (CHEMBL3827473) Show SMILES [H][C@]12Oc3c(c(ccc3C)[C@@H](C)OC[C@H](O)CN3CCCC3Cc3ccccc3)[C@@]1([H])[C@@H]2C(O)=O |r| Show InChI InChI=1S/C27H33NO5/c1-16-10-11-21(22-23-24(27(30)31)26(23)33-25(16)22)17(2)32-15-20(29)14-28-12-6-9-19(28)13-18-7-4-3-5-8-18/h3-5,7-8,10-11,17,19-20,23-24,26,29H,6,9,12-15H2,1-2H3,(H,30,31)/t17-,19?,20-,23+,24+,26+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	489	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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