BDBM50117292 CHEMBL3613513

SMILES: Clc1ccc(C(=O)N2CCN(CC2)C(=O)c2ccc(cc2)-c2nccs2)c(Cl)c1

InChI Key: InChIKey=OYPJPPZEZGMTPQ-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 = 50117292   

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))	BDBM50117292 (CHEMBL3613513) Show SMILES Clc1ccc(C(=O)N2CCN(CC2)C(=O)c2ccc(cc2)-c2nccs2)c(Cl)c1 Show InChI InChI=1S/C21H17Cl2N3O2S/c22-16-5-6-17(18(23)13-16)21(28)26-10-8-25(9-11-26)20(27)15-3-1-14(2-4-15)19-24-7-12-29-19/h1-7,12-13H,8-11H2	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	>5.00E+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 (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