BDBM50257015 (4S)-4-{2-[3-(4-Chloro-2-trifluoromethyl-phenylcarbamoyloxymethyl)-(3R)-2-oxo-5-phenyl-2,3-dihydro-benzo[e][1,4]diazepin-1-yl]-acetylamino}-6-phenyl-hex-2-enoic acid methyl ester::CHEMBL453473

SMILES: COC(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccccc1

InChI Key: InChIKey=ZSTUCVJIVAHYMQ-JGQLGTQQSA-N

Data: 2 KI

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 2 hits for monomerid = 50257015   

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
Procathepsin L (Homo sapiens (Human))	BDBM50257015 ((4S)-4-{2-[3-(4-Chloro-2-trifluoromethyl-phenylcar...) Show SMILES COC(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccccc1 |r,c:28| Show InChI InChI=1S/C39H34ClF3N4O6/c1-52-35(49)21-19-28(18-16-25-10-4-2-5-11-25)44-34(48)23-47-33-15-9-8-14-29(33)36(26-12-6-3-7-13-26)45-32(37(47)50)24-53-38(51)46-31-20-17-27(40)22-30(31)39(41,42)43/h2-15,17,19-22,28,32H,16,18,23-24H2,1H3,(H,44,48)(H,46,51)/b21-19+/t28-,32+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70E+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
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50257015 ((4S)-4-{2-[3-(4-Chloro-2-trifluoromethyl-phenylcar...) Show SMILES COC(=O)\C=C\[C@H](CCc1ccccc1)NC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccccc1 |r,c:28| Show InChI InChI=1S/C39H34ClF3N4O6/c1-52-35(49)21-19-28(18-16-25-10-4-2-5-11-25)44-34(48)23-47-33-15-9-8-14-29(33)36(26-12-6-3-7-13-26)45-32(37(47)50)24-53-38(51)46-31-20-17-27(40)22-30(31)39(41,42)43/h2-15,17,19-22,28,32H,16,18,23-24H2,1H3,(H,44,48)(H,46,51)/b21-19+/t28-,32+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.37E+4	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
					More data for this Ligand-Target Pair