BDBM50215560 4-((bis(2-chloroethyl)amino)methyl)-N-(4-methyl-3-(4-(pyridin-3-yl)pyrimidin-2-ylamino)phenyl)benzamide::CHEMBL231634

SMILES: Cc1ccc(NC(=O)c2ccc(CN(CCCl)CCCl)cc2)cc1Nc1nccc(n1)-c1cccnc1

InChI Key: InChIKey=KHUZCOTZBCNBNZ-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 = 50215560   

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
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50215560 (4-((bis(2-chloroethyl)amino)methyl)-N-(4-methyl-3-...) Show SMILES Cc1ccc(NC(=O)c2ccc(CN(CCCl)CCCl)cc2)cc1Nc1nccc(n1)-c1cccnc1 Show InChI InChI=1S/C28H28Cl2N6O/c1-20-4-9-24(17-26(20)35-28-32-14-10-25(34-28)23-3-2-13-31-18-23)33-27(37)22-7-5-21(6-8-22)19-36(15-11-29)16-12-30/h2-10,13-14,17-18H,11-12,15-16,19H2,1H3,(H,33,37)(H,32,34,35)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
McGill University/Royal Victoria Hospital Curated by ChEMBL					Assay Description Inhibition of c-Abl				Bioorg Med Chem Lett 17: 4248-53 (2007) Article DOI: 10.1016/j.bmcl.2007.05.067 BindingDB Entry DOI: 10.7270/Q29K49XM
					More data for this Ligand-Target Pair