BDBM111460 N-(3-acetylphenyl)-4-methyl-3-(4-(pyridin-3-yl) pyrimidin-2-ylamino) benzamide (A13)

SMILES: COCc1cccc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)c1

InChI Key: InChIKey=YADJWNFYTVOVHG-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 = 111460   

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
Bcr-Abl (Homo sapiens (Human))	BDBM111460 (N-(3-acetylphenyl)-4-methyl-3-(4-(pyridin-3-yl) py...) Show SMILES COCc1cccc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)c1 Show InChI InChI=1S/C25H23N5O2/c1-17-8-9-19(24(31)28-21-7-3-5-18(13-21)16-32-2)14-23(17)30-25-27-12-10-22(29-25)20-6-4-11-26-15-20/h3-15H,16H2,1-2H3,(H,28,31)(H,27,29,30)	PDB MMDB Reactome pathway B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	542	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University, No. 76, Yanta West Road, Xi'an, 710061, China					Assay Description ATP (6.021 μM) and substrate (457.7 nM) were used. Kinase, substrate peptide, and inhibitor were added in a 384-well plate. The reaction was s...				Chem Biol Drug Des 83: 592-9 (2014) Article DOI: 10.1111/cbdd.12272 BindingDB Entry DOI: 10.7270/Q2GX497N
					More data for this Ligand-Target Pair