BDBM50037325 CHEMBL113261::{6-(4-Chloro-phenyl)-2-oxo-1-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-1,2-dihydro-pyridin-3-yl}-carbamic acid benzyl ester

SMILES: CC(C)C(NC(=O)Cn1c(ccc(NC(=O)OCc2ccccc2)c1=O)-c1ccc(Cl)cc1)C(=O)C(F)(F)F

InChI Key: InChIKey=ZZMAWDGUTREXEU-UHFFFAOYSA-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 = 50037325   

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
Leukocyte elastase (Homo sapiens (Human))	BDBM50037325 (CHEMBL113261 | {6-(4-Chloro-phenyl)-2-oxo-1-[(3,3,...) Show SMILES CC(C)C(NC(=O)Cn1c(ccc(NC(=O)OCc2ccccc2)c1=O)-c1ccc(Cl)cc1)C(=O)C(F)(F)F Show InChI InChI=1S/C27H25ClF3N3O5/c1-16(2)23(24(36)27(29,30)31)33-22(35)14-34-21(18-8-10-19(28)11-9-18)13-12-20(25(34)37)32-26(38)39-15-17-6-4-3-5-7-17/h3-13,16,23H,14-15H2,1-2H3,(H,32,38)(H,33,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Group Curated by ChEMBL					Assay Description Tested for inhibitory activity against human leukocyte elastase(HLE) enzyme				J Med Chem 37: 3303-12 (1994) BindingDB Entry DOI: 10.7270/Q2SB44SP
					More data for this Ligand-Target Pair
Chymotrypsin (Homo sapiens (Human))	BDBM50037325 (CHEMBL113261 | {6-(4-Chloro-phenyl)-2-oxo-1-[(3,3,...) Show SMILES CC(C)C(NC(=O)Cn1c(ccc(NC(=O)OCc2ccccc2)c1=O)-c1ccc(Cl)cc1)C(=O)C(F)(F)F Show InChI InChI=1S/C27H25ClF3N3O5/c1-16(2)23(24(36)27(29,30)31)33-22(35)14-34-21(18-8-10-19(28)11-9-18)13-12-20(25(34)37)32-26(38)39-15-17-6-4-3-5-7-17/h3-13,16,23H,14-15H2,1-2H3,(H,32,38)(H,33,35)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Group Curated by ChEMBL					Assay Description Tested for inhibitory activity against bovine pancreatic chymotrypsinogen				J Med Chem 37: 3303-12 (1994) BindingDB Entry DOI: 10.7270/Q2SB44SP
					More data for this Ligand-Target Pair