BindingDB logo
myBDB logout

BDBM50051138 2-[(R)-3-(4-Methoxy-benzyl)-2,4,8-trioxo-2,3,4,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-7-yl]-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide::CHEMBL416159

SMILES: COc1ccc(Cn2c(=O)[nH]c3c(ccn(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)c3=O)c2=O)cc1

InChI Key: InChIKey=PHJQRFRDGYRXSB-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 = 50051138   
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))		BDBM50051138
PNG
(2-[(R)-3-(4-Methoxy-benzyl)-2,4,8-trioxo-2,3,4,8-t...)
Show SMILES COc1ccc(Cn2c(=O)[nH]c3c(ccn(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)c3=O)c2=O)cc1
Show InChI InChI=1S/C23H23F3N4O6/c1-12(2)17(19(32)23(24,25)26)27-16(31)11-29-9-8-15-18(21(29)34)28-22(35)30(20(15)33)10-13-4-6-14(36-3)7-5-13/h4-9,12,17H,10-11H2,1-3H3,(H,27,31)(H,28,35)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
Article
PubMed
 100n/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