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SMILES: FC(F)(F)c1cccc(c1)N1C2=C([C@H](N(C(=O)NC3CS(=O)(=O)C3)C1=O)c1ccc(cc1)C#N)C(=O)CC2

InChI Key: InChIKey=SDBSCZKUJXFACU-JOCHJYFZSA-N

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 211885   
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))
BDBM211885
PNG
(US9290459, 45.6 | US9670166, 45.6)
Show SMILES FC(F)(F)c1cccc(c1)N1C2=C([C@H](N(C(=O)NC3CS(=O)(=O)C3)C1=O)c1ccc(cc1)C#N)C(=O)CC2 |r,c:12|
Show InChI InChI=1S/C25H19F3N4O5S/c26-25(27,28)16-2-1-3-18(10-16)31-19-8-9-20(33)21(19)22(15-6-4-14(11-29)5-7-15)32(24(31)35)23(34)30-17-12-38(36,37)13-17/h1-7,10,17,22H,8-9,12-13H2,(H,30,34)/t22-/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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



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 US9670166 (2017)


BindingDB Entry DOI: 10.7270/Q25Q4T8F
More data for this
Ligand-Target Pair
Neutrophil elastase


(Homo sapiens (Human))
BDBM211885
PNG
(US9290459, 45.6 | US9670166, 45.6)
Show SMILES FC(F)(F)c1cccc(c1)N1C2=C([C@H](N(C(=O)NC3CS(=O)(=O)C3)C1=O)c1ccc(cc1)C#N)C(=O)CC2 |r,c:12|
Show InChI InChI=1S/C25H19F3N4O5S/c26-25(27,28)16-2-1-3-18(10-16)31-19-8-9-20(33)21(19)22(15-6-4-14(11-29)5-7-15)32(24(31)35)23(34)30-17-12-38(36,37)13-17/h1-7,10,17,22H,8-9,12-13H2,(H,30,34)/t22-/m1/s1
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/a7.525



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 US9290459 (2016)


BindingDB Entry DOI: 10.7270/Q2KS6QD5
More data for this
Ligand-Target Pair