BDBM50190713 CHEMBL3926043

SMILES: CS(=O)(=O)N1CCN(CC1)c1nc(Cl)ncc1Br

InChI Key: InChIKey=FDKRVDGCRVDZMG-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 = 50190713   

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
Breakpoint cluster region protein/Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50190713 (CHEMBL3926043) Show SMILES CS(=O)(=O)N1CCN(CC1)c1nc(Cl)ncc1Br Show InChI InChI=1S/C9H12BrClN4O2S/c1-18(16,17)15-4-2-14(3-5-15)8-7(10)6-12-9(11)13-8/h6H,2-5H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	255	n/a	n/a	n/a	n/a	n/a	n/a
Rallis India Limited Curated by ChEMBL					Assay Description Inhibition of BRC/ABL1 (unknown origin) after 40 mins by ADP-Glo assay				Eur J Med Chem 119: 70-82 (2016) BindingDB Entry DOI: 10.7270/Q2445PDS
					More data for this Ligand-Target Pair