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BDBM252279 US9458113, 1.34

SMILES: CC(C)N1CCC(C1)NC(=O)c1cc(ccc1C1N(C)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N

InChI Key: InChIKey=UHZSWBRJPOUPKX-UHFFFAOYNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 252279   
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))
BDBM252279
PNG
(US9458113, 1.34)
Show SMILES CC(C)N1CCC(C1)NC(=O)c1cc(ccc1C1N(C)C(=O)N(C2=C1C(=O)CC2)c1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1/C30H30F3N5O3/c1-17(2)37-12-11-20(16-37)35-28(40)23-13-18(15-34)7-8-22(23)27-26-24(9-10-25(26)39)38(29(41)36(27)3)21-6-4-5-19(14-21)30(31,32)33/h4-8,13-14,17,20,27H,9-12,16H2,1-3H3,(H,35,40)
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MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 10.9n/an/an/an/a7.525



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...


US Patent US9458113 (2016)


BindingDB Entry DOI: 10.7270/Q2Z31XMZ
More data for this
Ligand-Target Pair