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SMILES: CCOC(=O)COc1cc(cn2cc(Cn3cc(nn3)C(=O)NCc3ncn4ccc(Cl)c(F)c34)nc12)C1CC1

InChI Key: InChIKey=FWUDJTOFXCGHCR-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 455189   
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
Plasma kallikrein


(Homo sapiens (Human))
BDBM455189
PNG
(US10730874, Compound I-207 | US11352356, Compound ...)
Show SMILES CCOC(=O)COc1cc(cn2cc(Cn3cc(nn3)C(=O)NCc3ncn4ccc(Cl)c(F)c34)nc12)C1CC1
Show InChI InChI=1S/C26H24ClFN8O4/c1-2-39-22(37)13-40-21-7-16(15-3-4-15)9-35-10-17(31-25(21)35)11-36-12-20(32-33-36)26(38)29-8-19-24-23(28)18(27)5-6-34(24)14-30-19/h5-7,9-10,12,14-15H,2-4,8,11,13H2,1H3,(H,29,38)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a<1n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM455189
PNG
(US10730874, Compound I-207 | US11352356, Compound ...)
Show SMILES CCOC(=O)COc1cc(cn2cc(Cn3cc(nn3)C(=O)NCc3ncn4ccc(Cl)c(F)c34)nc12)C1CC1
Show InChI InChI=1S/C26H24ClFN8O4/c1-2-39-22(37)13-40-21-7-16(15-3-4-15)9-35-10-17(31-25(21)35)11-36-12-20(32-33-36)26(38)29-8-19-24-23(28)18(27)5-6-34(24)14-30-19/h5-7,9-10,12,14-15H,2-4,8,11,13H2,1H3,(H,29,38)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a<1n/an/an/an/a



Shire Human Genetic Therapies, Inc.

US Patent


Assay Description
Example compounds were evaluated for inhibition of the human activated kallikrein enzyme in two formats of an assay employing a fluorogenic peptide s...


US Patent US10730874 (2020)

More data for this
Ligand-Target Pair