BDBM111468 N-(4-(3-(dimethylamino)propoxy) phenyl)-4-methyl- 3-(4-(pyridin-3-yl) pyrimidin-2-ylamino) benzamide (A21)

SMILES: CN(C)CCCOc1ccc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc1

InChI Key: InChIKey=APJFCTQPCQCXCD-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 = 111468   

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))	BDBM111468 (N-(4-(3-(dimethylamino)propoxy) phenyl)-4-methyl- ...) Show SMILES CN(C)CCCOc1ccc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc1 Show InChI InChI=1S/C28H30N6O2/c1-20-7-8-21(27(35)31-23-9-11-24(12-10-23)36-17-5-16-34(2)3)18-26(20)33-28-30-15-13-25(32-28)22-6-4-14-29-19-22/h4,6-15,18-19H,5,16-17H2,1-3H3,(H,31,35)(H,30,32,33)	PDB MMDB Reactome pathway B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.32E+4	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