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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 211748   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neutrophil elastase


(Homo sapiens (Human))
BDBM211748
PNG
(US9290459, 7.1A | US9670166, 7.1A)
Show SMILES CNC(=O)N1[C@@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N |r,t:6|
Show InChI InChI=1S/C23H17F3N4O3/c1-28-21(32)30-20(14-7-5-13(12-27)6-8-14)19-17(9-10-18(19)31)29(22(30)33)16-4-2-3-15(11-16)23(24,25)26/h2-8,11,20H,9-10H2,1H3,(H,28,32)/t20-/m1/s1
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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))
BDBM211748
PNG
(US9290459, 7.1A | US9670166, 7.1A)
Show SMILES CNC(=O)N1[C@@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N |r,t:6|
Show InChI InChI=1S/C23H17F3N4O3/c1-28-21(32)30-20(14-7-5-13(12-27)6-8-14)19-17(9-10-18(19)31)29(22(30)33)16-4-2-3-15(11-16)23(24,25)26/h2-8,11,20H,9-10H2,1H3,(H,28,32)/t20-/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