BDBM50036122 CHEMBL11336::{2-(4-Fluoro-phenyl)-6-oxo-1-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-1,6-dihydro-pyrimidin-5-yl}-carbamic acid methyl ester

SMILES: COC(=O)Nc1cnc(-c2ccc(F)cc2)n(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)c1=O

InChI Key: InChIKey=WRYIHTCWDNVQMS-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 = 50036122   

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))	BDBM50036122 (CHEMBL11336 | {2-(4-Fluoro-phenyl)-6-oxo-1-[(3,3,3...) Show SMILES COC(=O)Nc1cnc(-c2ccc(F)cc2)n(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)c1=O Show InChI InChI=1S/C20H20F4N4O5/c1-10(2)15(16(30)20(22,23)24)27-14(29)9-28-17(11-4-6-12(21)7-5-11)25-8-13(18(28)31)26-19(32)33-3/h4-8,10,15H,9H2,1-3H3,(H,26,32)(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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
Leukocyte elastase (Homo sapiens (Human))	BDBM50036122 (CHEMBL11336 | {2-(4-Fluoro-phenyl)-6-oxo-1-[(3,3,3...) Show SMILES COC(=O)Nc1cnc(-c2ccc(F)cc2)n(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)c1=O Show InChI InChI=1S/C20H20F4N4O5/c1-10(2)15(16(30)20(22,23)24)27-14(29)9-28-17(11-4-6-12(21)7-5-11)25-8-13(18(28)31)26-19(32)33-3/h4-8,10,15H,9H2,1-3H3,(H,26,32)(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Group Curated by ChEMBL					Assay Description Inhibition of Human Leukocyte Elastase (HLE)				J Med Chem 37: 1259-61 (1994) BindingDB Entry DOI: 10.7270/Q2251H7P
					More data for this Ligand-Target Pair