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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasma kallikrein' and Ligand = 'BDBM108111'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Plasma kallikrein


(Homo sapiens (Human))
BDBM108111
PNG
(US8598206, Table 6, 20)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@H](CCC2CCNCC2)NC(=O)[C@H](NS(=O)(=O)Cc2ccccc2)c2ccccc2)cc1 |r|
Show InChI InChI=1S/C32H40N6O4S/c33-30(34)27-14-11-24(12-15-27)21-36-31(39)28(16-13-23-17-19-35-20-18-23)37-32(40)29(26-9-5-2-6-10-26)38-43(41,42)22-25-7-3-1-4-8-25/h1-12,14-15,23,28-29,35,38H,13,16-22H2,(H3,33,34)(H,36,39)(H,37,40)/t28-,29+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
20n/an/an/an/an/an/an/an/a



The Medicines Company (Leipzig) GmbH

US Patent


Assay Description
The inhibitory effect for the individual enzymes was determined in analogy to a previously disclosed method (Stürzebecher et al., J. Med. Chem.,...


US Patent US8598206 (2013)


BindingDB Entry DOI: 10.7270/Q25T3J5F
More data for this
Ligand-Target Pair