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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasma kallikrein' and Ligand = 'BDBM50136613'   
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))
BDBM50136613
PNG
(CHEMBL3753374)
Show SMILES OC(=O)c1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)c1 |r|
Show InChI InChI=1/C26H21ClN6O4/c27-20-10-11-23(33-16-28-31-32-33)18(14-20)9-12-24(34)30-22(13-17-5-2-1-3-6-17)25(35)29-21-8-4-7-19(15-21)26(36)37/h1-12,14-16,22H,13H2,(H,29,35)(H,30,34)(H,36,37)/b12-9+/t22-/s2
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
PubMed
270n/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