BDBM50190162 CHEMBL3827475

SMILES: [H][C@]12Oc3c(c(ccc3C)[C@@H](C)OC[C@H](O)CNC(C)(C)Cc3ccc4OCCOc4c3)[C@@]1([H])[C@@H]2C(O)=O

InChI Key: InChIKey=PYXMMRBAANKSRJ-SUEDTNBFSA-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 = 50190162   

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))	BDBM50190162 (CHEMBL3827475) Show SMILES [H][C@]12Oc3c(c(ccc3C)[C@@H](C)OC[C@H](O)CNC(C)(C)Cc3ccc4OCCOc4c3)[C@@]1([H])[C@@H]2C(O)=O |r| Show InChI InChI=1S/C28H35NO7/c1-15-5-7-19(22-23-24(27(31)32)26(23)36-25(15)22)16(2)35-14-18(30)13-29-28(3,4)12-17-6-8-20-21(11-17)34-10-9-33-20/h5-8,11,16,18,23-24,26,29-30H,9-10,12-14H2,1-4H3,(H,31,32)/t16-,18-,23+,24+,26+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	22	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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