BDBM111451 N-(4-methoxyphenyl)-4-methyl-3-(4-(pyridin-3-yl) pyrimidin-2-yl amino) benzamide (A4)

SMILES: COc1ccc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc1

InChI Key: InChIKey=IFCXCRTUHBCYNN-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 = 111451   

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))	BDBM111451 (N-(4-methoxyphenyl)-4-methyl-3-(4-(pyridin-3-yl) p...) Show SMILES COc1ccc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc1 Show InChI InChI=1S/C24H21N5O2/c1-16-5-6-17(23(30)27-19-7-9-20(31-2)10-8-19)14-22(16)29-24-26-13-11-21(28-24)18-4-3-12-25-15-18/h3-15H,1-2H3,(H,27,30)(H,26,28,29)	PDB MMDB Reactome pathway B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	924	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