BDBM50257014 (4-Chloro-2-trifluoromethyl-phenyl)-carbamic acid 1-[(3-dimethylcarbamoyl-(1S)-1-phenethyl-allylcarbamoyl)-methyl]-(3R)-2-oxo-5-phenyl-2,3-dihydro-1Hbenzo[e][1,4]diazepin-3-ylmethyl ester::CHEMBL453738

SMILES: CN(C)C(=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=WNAGPXLWCXTEKT-ZVYOEZKJSA-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 = 50257014   

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))	BDBM50257014 ((4-Chloro-2-trifluoromethyl-phenyl)-carbamic acid ...) Show SMILES CN(C)C(=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:29| Show InChI InChI=1S/C40H37ClF3N5O5/c1-48(2)36(51)22-20-29(19-17-26-11-5-3-6-12-26)45-35(50)24-49-34-16-10-9-15-30(34)37(27-13-7-4-8-14-27)46-33(38(49)52)25-54-39(53)47-32-21-18-28(41)23-31(32)40(42,43)44/h3-16,18,20-23,29,33H,17,19,24-25H2,1-2H3,(H,45,50)(H,47,53)/b22-20+/t29-,33+/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	6.40E+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
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50257014 ((4-Chloro-2-trifluoromethyl-phenyl)-carbamic acid ...) Show SMILES CN(C)C(=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:29| Show InChI InChI=1S/C40H37ClF3N5O5/c1-48(2)36(51)22-20-29(19-17-26-11-5-3-6-12-26)45-35(50)24-49-34-16-10-9-15-30(34)37(27-13-7-4-8-14-27)46-33(38(49)52)25-54-39(53)47-32-21-18-28(41)23-31(32)40(42,43)44/h3-16,18,20-23,29,33H,17,19,24-25H2,1-2H3,(H,45,50)(H,47,53)/b22-20+/t29-,33+/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	7.40E+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