BDBM50117289 CHEMBL3613493

SMILES: COc1cccc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1cccnc1

InChI Key: InChIKey=QPTHLYOBUWMTIW-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 = 50117289   

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))	BDBM50117289 (CHEMBL3613493) Show SMILES COc1cccc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1cccnc1 Show InChI InChI=1S/C24H23N3O3/c1-30-22-6-2-4-20(16-22)24(29)27-14-12-26(13-15-27)23(28)19-9-7-18(8-10-19)21-5-3-11-25-17-21/h2-11,16-17H,12-15H2,1H3	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	PubMed	n/a	n/a	6.07E+4	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 (unknown origin) after 60 mins by luminescent kinase assay				Eur J Med Chem 101: 780-9 (2015) BindingDB Entry DOI: 10.7270/Q2X63PQW
					More data for this Ligand-Target Pair