BindingDB logo
myBDB logout

null

SMILES: CC(C)C(NC(=O)CN1CCc2c([nH]c3ccc(Cl)cc23)C1=O)C(=O)C(F)(F)F

InChI Key: InChIKey=LQDUUYPWLMAYCF-UHFFFAOYSA-N

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 = 50036061   
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
Neutrophil elastase


(Homo sapiens (Human))		BDBM50036061
PNG
(2-(6-Chloro-1-oxo-1,3,4,9-tetrahydro-beta-carbolin...)
Show SMILES CC(C)C(NC(=O)CN1CCc2c([nH]c3ccc(Cl)cc23)C1=O)C(=O)C(F)(F)F
Show InChI InChI=1S/C19H19ClF3N3O3/c1-9(2)15(17(28)19(21,22)23)25-14(27)8-26-6-5-11-12-7-10(20)3-4-13(12)24-16(11)18(26)29/h3-4,7,9,15,24H,5-6,8H2,1-2H3,(H,25,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
 1.00E+3n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukocyte elastase (HLE) mediated hydrolysis of the synthetic substrate MeOSuc-Ala-Ala-Pro-Val-pNA

J Med Chem 38: 86-97 (1995)


BindingDB Entry DOI: 10.7270/Q2TD9WDR
More data for this
Ligand-Target Pair