BindingDB logo
myBDB logout

null

SMILES: CN1C(C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1-c1cnn(C)c1)C#N

InChI Key: InChIKey=MAIUKEWXJGYVRS-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 = 310063   
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))		BDBM310063
PNG
(US9657015, Example 26)
Show SMILES CN1C(C2=C(CCNC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1-c1cnn(C)c1)C#N |t:3|
Show InChI InChI=1S/C26H21F3N6O2/c1-33-14-16(13-32-33)20-10-15(12-30)6-7-19(20)23-22-21(8-9-31-24(22)36)35(25(37)34(23)2)18-5-3-4-17(11-18)26(27,28)29/h3-7,10-11,13-14,23H,8-9H2,1-2H3,(H,31,36)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Materials: Human neutrophil elastase was purchased from Calbiochem (Cat. No.: 324681) and the elastase substrate MeOSuc-Ala-Ala-Pro-Val-AMC from Bach...

US Patent US9657015 (2017)


BindingDB Entry DOI: 10.7270/Q28G8NRP
More data for this
Ligand-Target Pair