BindingDB logo
myBDB logout

BDBM251842 US9475779, D.4.2

SMILES: CNC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1cncc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N

InChI Key: InChIKey=OSWFEXNREYKYAD-UHFFFAOYNA-N

Data: 1 IC50

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 = 251842   
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))
BDBM251842
PNG
(US9475779, D.4.2)
Show SMILES CNC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1cncc(c1)C(F)(F)F)c1ccc(cc1S(C)(=O)=O)C#N
Show InChI InChI=1/C23H18F3N5O5S/c1-28-21(33)31-20(15-4-3-12(9-27)7-18(15)37(2,35)36)19-16(5-6-17(19)32)30(22(31)34)14-8-13(10-29-11-14)23(24,25)26/h3-4,7-8,10-11,20H,5-6H2,1-2H3,(H,28,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/a7.525



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


US Patent US9475779 (2016)


BindingDB Entry DOI: 10.7270/Q2QJ7G77
More data for this
Ligand-Target Pair