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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasma kallikrein' and Ligand = 'BDBM50136582'   
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))
BDBM50136582
PNG
(CHEMBL3754712)
Show SMILES Oc1cc(=O)[nH]c2ccc(NC(=O)[C@H](Cc3ccccc3)NC(=O)\C=C\c3cc(Cl)ccc3-n3cnnn3)cc12 |r|
Show InChI InChI=1/C28H22ClN7O4/c29-19-7-10-24(36-16-30-34-35-36)18(13-19)6-11-26(38)33-23(12-17-4-2-1-3-5-17)28(40)31-20-8-9-22-21(14-20)25(37)15-27(39)32-22/h1-11,13-16,23H,12H2,(H,31,40)(H,33,38)(H2,32,37,39)/b11-6+/t23-/s2
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
PubMed
28n/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