BindingDB logo
myBDB logout

BDBM50036097 CHEMBL276680::{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 pyridin-2-ylmethyl ester

SMILES: CC(C)C(NC(=O)Cn1c(ncc(NC(=O)OCc2ccccn2)c1=O)-c1ccc(F)cc1)C(=O)C(F)(F)F

InChI Key: InChIKey=VHVMNIVHKLTEOD-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 = 50036097   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Leukocyte elastase


(Homo sapiens (Human))		BDBM50036097
PNG
(CHEMBL276680 | {2-(4-Fluoro-phenyl)-6-oxo-1-[(3,3,...)
Show SMILES CC(C)C(NC(=O)Cn1c(ncc(NC(=O)OCc2ccccn2)c1=O)-c1ccc(F)cc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C25H23F4N5O5/c1-14(2)20(21(36)25(27,28)29)33-19(35)12-34-22(15-6-8-16(26)9-7-15)31-11-18(23(34)37)32-24(38)39-13-17-5-3-4-10-30-17/h3-11,14,20H,12-13H2,1-2H3,(H,32,38)(H,33,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
PubMed
 22n/an/an/an/an/an/an/an/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