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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasma kallikrein' and Ligand = 'BDBM50136577'   
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))
BDBM50136577
PNG
(CHEMBL3752071)
Show SMILES Clc1ccc(c(CCNC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(cc2)-c2nnn[nH]2)c1)-n1cnnn1 |r|
Show InChI InChI=1/C26H23ClN10O2/c27-21-10-11-23(37-16-29-33-36-37)20(15-21)12-13-28-26(39)22(14-17-4-2-1-3-5-17)30-25(38)19-8-6-18(7-9-19)24-31-34-35-32-24/h1-11,15-16,22H,12-14H2,(H,28,39)(H,30,38)(H,31,32,34,35)/t22-/s2
PDB

UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>6.00E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human plasma kallikrein


Bioorg Med Chem Lett 26: 472-8 (2016)


BindingDB Entry DOI: 10.7270/Q27H1MFM
More data for this
Ligand-Target Pair