BDBM50036120 CHEMBL273449::{6-Oxo-2-phenyl-1-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-1,6-dihydro-pyrimidin-5-yl}-carbamic acid 2,2,2-trifluoro-ethyl ester

SMILES: CC(C)C(NC(=O)Cn1c(ncc(NC(=O)OCC(F)(F)F)c1=O)-c1ccccc1)C(=O)C(F)(F)F

InChI Key: InChIKey=SDJJCNOHFIHVDP-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50036120   

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))	BDBM50036120 (CHEMBL273449 | {6-Oxo-2-phenyl-1-[(3,3,3-trifluoro...) Show SMILES CC(C)C(NC(=O)Cn1c(ncc(NC(=O)OCC(F)(F)F)c1=O)-c1ccccc1)C(=O)C(F)(F)F Show InChI InChI=1S/C21H20F6N4O5/c1-11(2)15(16(33)21(25,26)27)30-14(32)9-31-17(12-6-4-3-5-7-12)28-8-13(18(31)34)29-19(35)36-10-20(22,23)24/h3-8,11,15H,9-10H2,1-2H3,(H,29,35)(H,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibition of human leukocyte elastase mediated hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-pNA				J Med Chem 38: 98-108 (1995) BindingDB Entry DOI: 10.7270/Q2JW8CX7
					More data for this Ligand-Target Pair