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SMILES: Brc1ccn2cnc(CNC(=O)c3cnn(Cc4cn5cc(cnc5n4)C4CC4)c3)c2c1

InChI Key: InChIKey=QPCNCZVIUOQTRX-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 455052   
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))		BDBM455052
PNG
(US10730874, Compound I-76)
Show SMILES Brc1ccn2cnc(CNC(=O)c3cnn(Cc4cn5cc(cnc5n4)C4CC4)c3)c2c1
Show InChI InChI=1S/C22H19BrN8O/c23-17-3-4-29-13-26-19(20(29)5-17)8-24-21(32)16-7-27-31(10-16)12-18-11-30-9-15(14-1-2-14)6-25-22(30)28-18/h3-7,9-11,13-14H,1-2,8,12H2,(H,24,32)
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)


BindingDB Entry DOI: 10.7270/Q2RN3BXC
More data for this
Ligand-Target Pair