BDBM50256679 5-(3-(2-cyanopropan-2-yl)benzamido)-2-methyl-N-(5-methylpyridin-3-yl)benzamide::CHEMBL519143

SMILES: Cc1cncc(NC(=O)c2cc(NC(=O)c3cccc(c3)C(C)(C)C#N)ccc2C)c1

InChI Key: InChIKey=DQFMVJVTSKUXRA-UHFFFAOYSA-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 = 50256679   

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
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50256679 (5-(3-(2-cyanopropan-2-yl)benzamido)-2-methyl-N-(5-...) Show SMILES Cc1cncc(NC(=O)c2cc(NC(=O)c3cccc(c3)C(C)(C)C#N)ccc2C)c1 Show InChI InChI=1S/C25H24N4O2/c1-16-10-21(14-27-13-16)29-24(31)22-12-20(9-8-17(22)2)28-23(30)18-6-5-7-19(11-18)25(3,4)15-26/h5-14H,1-4H3,(H,28,30)(H,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				Bioorg Med Chem Lett 19: 1026-9 (2009) Article DOI: 10.1016/j.bmcl.2008.10.053 BindingDB Entry DOI: 10.7270/Q2222TMP
					More data for this Ligand-Target Pair