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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 50032888   
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))
BDBM50032888
PNG
(CHEMBL3342778 | US9290459, 6.3 | US9670166, 6.3)
Show SMILES FC(F)(F)c1cccc(c1)N1C2=C(C(N(CC(=O)N3CCC3)C1=O)c1ccc(cc1)C#N)C(=O)CC2 |c:12|
Show InChI InChI=1S/C26H21F3N4O3/c27-26(28,29)18-3-1-4-19(13-18)33-20-9-10-21(34)23(20)24(17-7-5-16(14-30)6-8-17)32(25(33)36)15-22(35)31-11-2-12-31/h1,3-8,13,24H,2,9-12,15H2
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US Patent
n/an/a 3.70n/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
Neutrophil elastase


(Homo sapiens (Human))
BDBM50032888
PNG
(CHEMBL3342778 | US9290459, 6.3 | US9670166, 6.3)
Show SMILES FC(F)(F)c1cccc(c1)N1C2=C(C(N(CC(=O)N3CCC3)C1=O)c1ccc(cc1)C#N)C(=O)CC2 |c:12|
Show InChI InChI=1S/C26H21F3N4O3/c27-26(28,29)18-3-1-4-19(13-18)33-20-9-10-21(34)23(20)24(17-7-5-16(14-30)6-8-17)32(25(33)36)15-22(35)31-11-2-12-31/h1,3-8,13,24H,2,9-12,15H2
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US Patent
n/an/a 3.70n/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))
BDBM50032888
PNG
(CHEMBL3342778 | US9290459, 6.3 | US9670166, 6.3)
Show SMILES FC(F)(F)c1cccc(c1)N1C2=C(C(N(CC(=O)N3CCC3)C1=O)c1ccc(cc1)C#N)C(=O)CC2 |c:12|
Show InChI InChI=1S/C26H21F3N4O3/c27-26(28,29)18-3-1-4-19(13-18)33-20-9-10-21(34)23(20)24(17-7-5-16(14-30)6-8-17)32(25(33)36)15-22(35)31-11-2-12-31/h1,3-8,13,24H,2,9-12,15H2
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Article
PubMed
n/an/a 3.70n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human neutrophil elastase using MeOSuc-Ala-Ala-Pro-Val-AMC as substrate after 15 mins by fluorescence assay


ACS Med Chem Lett 5: 1182-3 (2014)


Article DOI: 10.1021/ml500346u
BindingDB Entry DOI: 10.7270/Q2N29ZJC
More data for this
Ligand-Target Pair