BDBM50257013 (4-Chloro-2-trifluoromethyl-phenyl)-carbamic acid (3R)-2-oxo-1-{[4-oxo-(1S)-1-phenethylpent-2-enylcarbamoyl]-methyl}-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-ylmethylester::CHEMBL450459
SMILES: CC(=O)CC=C(CCc1ccccc1)NC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccccc1
InChI Key: InChIKey=XEFWDFYWYXYAQE-MGBGTMOVSA-N
Data: 2 KI
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)) | BDBM50257013 ((4-Chloro-2-trifluoromethyl-phenyl)-carbamic acid ...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 7.50E+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)) | BDBM50257013 ((4-Chloro-2-trifluoromethyl-phenyl)-carbamic acid ...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 8.40E+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 |