BDBM50433235 CHEMBL2375972

SMILES: COc1ccc(cc1Nc1nccc(n1)-c1cccnc1)C(=O)Nc1ccc(OCCN(C)C)cc1

InChI Key: InChIKey=NFLXEOXSZWSZGF-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 = 50433235   

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))	BDBM50433235 (CHEMBL2375972) Show SMILES COc1ccc(cc1Nc1nccc(n1)-c1cccnc1)C(=O)Nc1ccc(OCCN(C)C)cc1 Show InChI InChI=1S/C27H28N6O3/c1-33(2)15-16-36-22-9-7-21(8-10-22)30-26(34)19-6-11-25(35-3)24(17-19)32-27-29-14-12-23(31-27)20-5-4-13-28-18-20/h4-14,17-18H,15-16H2,1-3H3,(H,30,34)(H,29,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of Bcr-Abl kinase (unknown origin) after 30 mins by HTRF assay				Bioorg Med Chem 21: 2527-34 (2013) Article DOI: 10.1016/j.bmc.2013.02.036 BindingDB Entry DOI: 10.7270/Q2VH5Q6T
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