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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 211775   
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))
BDBM211775
PNG
(US9290459, 15.4A | US9670166, 15.4A)
Show SMILES CS(=O)(=O)c1cc(ccc1[C@H]1NC(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)F)C#N |r,c:16|
Show InChI InChI=1S/C22H17F2N3O4S/c1-32(30,31)18-9-12(11-25)5-6-15(18)20-19-16(7-8-17(19)28)27(22(29)26-20)14-4-2-3-13(10-14)21(23)24/h2-6,9-10,20-21H,7-8H2,1H3,(H,26,29)/t20-/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
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PC cid
PC sid
UniChem
US Patent
n/an/a 2.90n/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))
BDBM211775
PNG
(US9290459, 15.4A | US9670166, 15.4A)
Show SMILES CS(=O)(=O)c1cc(ccc1[C@H]1NC(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)F)C#N |r,c:16|
Show InChI InChI=1S/C22H17F2N3O4S/c1-32(30,31)18-9-12(11-25)5-6-15(18)20-19-16(7-8-17(19)28)27(22(29)26-20)14-4-2-3-13(10-14)21(23)24/h2-6,9-10,20-21H,7-8H2,1H3,(H,26,29)/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 2.90n/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