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SMILES: OC(=O)CC(NC(=O)c1cn(Cc2cn3cc(ccc3n2)C2CC2)nn1)c1ncn2ccc(Cl)c(F)c12

InChI Key: InChIKey=ZKQQNXGQJQBXIJ-UHFFFAOYSA-N

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 455214   
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))		BDBM455214
PNG
(US10730874, Compound I-227b)
Show SMILES OC(=O)CC(NC(=O)c1cn(Cc2cn3cc(ccc3n2)C2CC2)nn1)c1ncn2ccc(Cl)c(F)c12
Show InChI InChI=1S/C24H20ClFN8O3/c25-16-5-6-32-12-27-22(23(32)21(16)26)17(7-20(35)36)29-24(37)18-11-34(31-30-18)10-15-9-33-8-14(13-1-2-13)3-4-19(33)28-15/h3-6,8-9,11-13,17H,1-2,7,10H2,(H,29,37)(H,35,36)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 1.05E+3n/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