BindingDB PrimarySearch

BDBM50257016 (4-Chloro-2-trifluoromethyl-phenyl)-carbamic acid (3R)-2-oxo-1-[(4-oxo-pent-2-enylcarbamoyl)-methyl]-5-phenyl-2,3-dihydro-1Hbenzo[e][1,4]diazepin-3-ylmethyl ester::CHEMBL509518

SMILES: CC(=O)CC=CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccccc1

InChI Key: InChIKey=ZWAVSBHNASNYEB-RUZDIDTESA-N

Data: 4 KI

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50257016
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Procathepsin L (Homo sapiens (Human))	BDBM50257016 ((4-Chloro-2-trifluoromethyl-phenyl)-carbamic acid ...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of cathepsin L (unknown origin)				J Med Chem 52: 2157-60 (2009) Article DOI: 10.1021/jm900047j BindingDB Entry DOI: 10.7270/Q2BG2NX8
University of Messina Curated by ChEMBL					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50257016 ((4-Chloro-2-trifluoromethyl-phenyl)-carbamic acid ...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of human cathepsin-B using Cbz-Phe-Arg-AMC as substrate by spectrofluorometer analysis				Eur J Med Chem 46: 2058-65 (2011) Article DOI: 10.1016/j.ejmech.2011.02.058 BindingDB Entry DOI: 10.7270/Q2CC114D
University of Messina Curated by ChEMBL					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50257016 ((4-Chloro-2-trifluoromethyl-phenyl)-carbamic acid ...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of cathepsin B (unknown origin)				J Med Chem 52: 2157-60 (2009) Article DOI: 10.1021/jm900047j BindingDB Entry DOI: 10.7270/Q2BG2NX8
University of Messina Curated by ChEMBL					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50257016 ((4-Chloro-2-trifluoromethyl-phenyl)-carbamic acid ...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of human cathepsin L using Cbz-Phe-Arg-AMC as substrate by spectrofluorometer analysis				Eur J Med Chem 46: 2058-65 (2011) Article DOI: 10.1016/j.ejmech.2011.02.058 BindingDB Entry DOI: 10.7270/Q2CC114D
University of Messina Curated by ChEMBL					More data for this Ligand-Target Pair