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BDBM187783 US9670166, 41.24

SMILES: O[C@H]1CCCCC1NC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N

InChI Key: InChIKey=VTLLQJBZQLMZMJ-CVCZCXRASA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 187783   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Leukocyte elastase


(Homo sapiens (Human))
BDBM187783
PNG
(US9670166, 41.24)
Show SMILES O[C@H]1CCCCC1NC(=O)N1C(C2=C(CCC2=O)N(C1=O)c1cccc(c1)C(F)(F)F)c1ccc(cc1)C#N
Show InChI InChI=1S/C28H25F3N4O4/c29-28(30,31)18-4-3-5-19(14-18)34-21-12-13-23(37)24(21)25(17-10-8-16(15-32)9-11-17)35(27(34)39)26(38)33-20-6-1-2-7-22(20)36/h3-5,8-11,14,20,22,25,36H,1-2,6-7,12-13H2,(H,33,38)/t20?,22-,25?/m0/s1
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MMDB

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PC cid
PC sid
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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