BindingDB logo
myBDB logout

BDBM50051154 CHEMBL14176::{(R)-2,4,8-Trioxo-7-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-1,4,7,8-tetrahydro-2H-pyrido[3,4-d]pyrimidin-3-yl}-acetic acid tert-butyl ester

SMILES: CC(C)C(NC(=O)Cn1ccc2c([nH]c(=O)n(CC(=O)OC(C)(C)C)c2=O)c1=O)C(=O)C(F)(F)F

InChI Key: InChIKey=SIITZOXNLYNJJD-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 = 50051154   
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))		BDBM50051154
PNG
(CHEMBL14176 | {(R)-2,4,8-Trioxo-7-[(3,3,3-trifluor...)
Show SMILES CC(C)C(NC(=O)Cn1ccc2c([nH]c(=O)n(CC(=O)OC(C)(C)C)c2=O)c1=O)C(=O)C(F)(F)F
Show InChI InChI=1S/C21H25F3N4O7/c1-10(2)14(16(31)21(22,23)24)25-12(29)8-27-7-6-11-15(18(27)33)26-19(34)28(17(11)32)9-13(30)35-20(3,4)5/h6-7,10,14H,8-9H2,1-5H3,(H,25,29)(H,26,34)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
 290n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Human Neutrophil Elastase-catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-p- nitroanilide.

J Med Chem 39: 1112-24 (1996)


Article DOI: 10.1021/jm950684z
BindingDB Entry DOI: 10.7270/Q25Q4V6Z
More data for this
Ligand-Target Pair