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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasma kallikrein' and Ligand = 'BDBM50032867'   
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))
BDBM50032867
PNG
(CHEMBL3355689)
Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1c[nH]c(n1)-c1ccccc1 |r,wU:5.8,wD:11.11,2.1,(30.81,-41.17,;29.49,-41.94,;28.15,-41.17,;28.15,-39.63,;26.82,-38.86,;25.48,-39.63,;25.48,-41.17,;26.82,-41.94,;24.15,-38.86,;24.15,-37.32,;22.81,-39.63,;21.48,-38.86,;21.48,-37.32,;20.14,-36.55,;18.82,-37.32,;17.48,-36.55,;17.48,-35.01,;18.82,-34.24,;20.14,-35.01,;20.19,-39.7,;20.11,-41.24,;18.62,-41.63,;17.78,-40.34,;18.76,-39.14,;16.25,-40.26,;15.4,-41.55,;13.87,-41.47,;13.17,-40.1,;14.01,-38.81,;15.54,-38.89,)|
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Article
PubMed
4.50E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human plasma kallikrein using H-D-Pro-Phe-Arg-pNA as substrate


J Med Chem 57: 9915-32 (2014)


Article DOI: 10.1021/jm5010607
BindingDB Entry DOI: 10.7270/Q2RV0Q9S
More data for this
Ligand-Target Pair