BDBM27988 2-[(2H-1,3-benzodioxol-5-ylmethyl)amino]-N-(2-phenoxyethyl)-4-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide::trisubstituted pyrimidine analogue, 6i

SMILES: COc1cc(cc(OC)c1OC)-c1nc(NCc2ccc3OCOc3c2)ncc1C(=O)NCCOc1ccccc1

InChI Key: InChIKey=VMRDOTPQGOMFPL-UHFFFAOYSA-N

Data: 1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 27988   

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))	BDBM27988 (2-[(2H-1,3-benzodioxol-5-ylmethyl)amino]-N-(2-phen...) Show SMILES COc1cc(cc(OC)c1OC)-c1nc(NCc2ccc3OCOc3c2)ncc1C(=O)NCCOc1ccccc1 Show InChI InChI=1S/C30H30N4O7/c1-36-25-14-20(15-26(37-2)28(25)38-3)27-22(29(35)31-11-12-39-21-7-5-4-6-8-21)17-33-30(34-27)32-16-19-9-10-23-24(13-19)41-18-40-23/h4-10,13-15,17H,11-12,16,18H2,1-3H3,(H,31,35)(H,32,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	7.5	37
Bristol-Myers Squibb Company					Assay Description Antagonist activity of test compounds was measured in HEK293 cells stably expressing the human recombinant CaR (HEK-CaR) by determining the ability o...				J Med Chem 52: 1204-8 (2009) Article DOI: 10.1021/jm801178c BindingDB Entry DOI: 10.7270/Q2416VCR
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