BDBM50433236 CHEMBL2375973

SMILES: CCN(CC)CCOc1ccc(NC(=O)c2ccc(OC)c(Nc3nccc(n3)-c3cccnc3)c2)cc1

InChI Key: InChIKey=KJIJJDDZGNJZBA-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 = 50433236   

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))	BDBM50433236 (CHEMBL2375973) Show SMILES CCN(CC)CCOc1ccc(NC(=O)c2ccc(OC)c(Nc3nccc(n3)-c3cccnc3)c2)cc1 Show InChI InChI=1S/C29H32N6O3/c1-4-35(5-2)17-18-38-24-11-9-23(10-12-24)32-28(36)21-8-13-27(37-3)26(19-21)34-29-31-16-14-25(33-29)22-7-6-15-30-20-22/h6-16,19-20H,4-5,17-18H2,1-3H3,(H,32,36)(H,31,33,34)	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	1.5	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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