BDBM111448 N-(3-chloro-4-fluorophenyl)-4-methyl-3-(4-(pyridin- 3-yl)pyrimidin-2-ylamino)benzamide (A1)

SMILES: Cc1ccc(cc1Nc1nccc(n1)-c1cccnc1)C(=O)Nc1ccc(F)c(Cl)c1

InChI Key: InChIKey=JCFCQVDNGGKRSM-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 = 111448   

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))	BDBM111448 (N-(3-chloro-4-fluorophenyl)-4-methyl-3-(4-(pyridin...) Show SMILES Cc1ccc(cc1Nc1nccc(n1)-c1cccnc1)C(=O)Nc1ccc(F)c(Cl)c1 Show InChI InChI=1S/C23H17ClFN5O/c1-14-4-5-15(22(31)28-17-6-7-19(25)18(24)12-17)11-21(14)30-23-27-10-8-20(29-23)16-3-2-9-26-13-16/h2-13H,1H3,(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	9.57E+3	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