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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 211741   
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))
BDBM211741
PNG
(US9290459, 7.5 | US9670166, 7.5)
Show SMILES CN(C)CCNC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N |t:10|
Show InChI InChI=1S/C26H24F3N5O3/c1-32(2)13-12-31-24(36)34-23(17-8-6-16(15-30)7-9-17)22-20(10-11-21(22)35)33(25(34)37)19-5-3-4-18(14-19)26(27,28)29/h3-9,14,23H,10-13H2,1-2H3,(H,31,36)
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MMDB

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B.MOAD
DrugBank
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AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.40n/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))
BDBM211741
PNG
(US9290459, 7.5 | US9670166, 7.5)
Show SMILES CN(C)CCNC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N |t:10|
Show InChI InChI=1S/C26H24F3N5O3/c1-32(2)13-12-31-24(36)34-23(17-8-6-16(15-30)7-9-17)22-20(10-11-21(22)35)33(25(34)37)19-5-3-4-18(14-19)26(27,28)29/h3-9,14,23H,10-13H2,1-2H3,(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 1.40n/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