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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 211884   
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))
BDBM211884
PNG
(US9290459, 45.5 | US9670166, 45.5)
Show SMILES O[C@H]1COC[C@@H]1NC(=O)N1[C@@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N |r,t:12|
Show InChI InChI=1S/C26H21F3N4O5/c27-26(28,29)16-2-1-3-17(10-16)32-19-8-9-20(34)22(19)23(15-6-4-14(11-30)5-7-15)33(25(32)37)24(36)31-18-12-38-13-21(18)35/h1-7,10,18,21,23,35H,8-9,12-13H2,(H,31,36)/t18-,21-,23+/m0/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))
BDBM211884
PNG
(US9290459, 45.5 | US9670166, 45.5)
Show SMILES O[C@H]1COC[C@@H]1NC(=O)N1[C@@H](C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N |r,t:12|
Show InChI InChI=1S/C26H21F3N4O5/c27-26(28,29)16-2-1-3-17(10-16)32-19-8-9-20(34)22(19)23(15-6-4-14(11-30)5-7-15)33(25(32)37)24(36)31-18-12-38-13-21(18)35/h1-7,10,18,21,23,35H,8-9,12-13H2,(H,31,36)/t18-,21-,23+/m0/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