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SMILES: CCOC(=O)C(C)(C)Oc1cc(cn2cc(Cn3cc(nn3)C(=O)NCc3ncn4ccc(Cl)c(F)c34)nc12)C1CC1

InChI Key: InChIKey=MZULJSVETYOZBO-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 455208   
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))
BDBM455208
PNG
(US10730874, Compound I-223 | US11352356, Compound ...)
Show SMILES CCOC(=O)C(C)(C)Oc1cc(cn2cc(Cn3cc(nn3)C(=O)NCc3ncn4ccc(Cl)c(F)c34)nc12)C1CC1
Show InChI InChI=1S/C28H28ClFN8O4/c1-4-41-27(40)28(2,3)42-22-9-17(16-5-6-16)11-37-12-18(33-25(22)37)13-38-14-21(34-35-38)26(39)31-10-20-24-23(30)19(29)7-8-36(24)15-32-20/h7-9,11-12,14-16H,4-6,10,13H2,1-3H3,(H,31,39)
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))
BDBM455208
PNG
(US10730874, Compound I-223 | US11352356, Compound ...)
Show SMILES CCOC(=O)C(C)(C)Oc1cc(cn2cc(Cn3cc(nn3)C(=O)NCc3ncn4ccc(Cl)c(F)c34)nc12)C1CC1
Show InChI InChI=1S/C28H28ClFN8O4/c1-4-41-27(40)28(2,3)42-22-9-17(16-5-6-16)11-37-12-18(33-25(22)37)13-38-14-21(34-35-38)26(39)31-10-20-24-23(30)19(29)7-8-36(24)15-32-20/h7-9,11-12,14-16H,4-6,10,13H2,1-3H3,(H,31,39)
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