BDBM50107641 4-Chloro-N-[1-(cyanomethyl-carbamoyl)-2-m-tolyl-ethyl]-2-fluoro-benzamide::CHEMBL142118

SMILES: Cc1cccc(C[C@H](NC(=O)c2ccc(Cl)cc2F)C(=O)NCC#N)c1

InChI Key: InChIKey=LMESRJLBFMDIGZ-KRWDZBQOSA-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 = 50107641   

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
Cathepsin B (Homo sapiens (Human))	BDBM50107641 (4-Chloro-N-[1-(cyanomethyl-carbamoyl)-2-m-tolyl-et...) Show SMILES Cc1cccc(C[C@H](NC(=O)c2ccc(Cl)cc2F)C(=O)NCC#N)c1 Show InChI InChI=1S/C19H17ClFN3O2/c1-12-3-2-4-13(9-12)10-17(19(26)23-8-7-22)24-18(25)15-6-5-14(20)11-16(15)21/h2-6,9,11,17H,8,10H2,1H3,(H,23,26)(H,24,25)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals Corporation Curated by ChEMBL					Assay Description Inhibitiory activity against recombinant human cathepsin B (cat B) expressed in baculovirus.				J Med Chem 44: 4524-34 (2001) BindingDB Entry DOI: 10.7270/Q2GQ6X2J
					More data for this Ligand-Target Pair