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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasma kallikrein' and Ligand = 'BDBM50525918'   
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))		BDBM50525918
PNG
(CHEMBL4473069)
Show SMILES Cl.NC(=N)c1ccc(CC2OB(O)c3cc(ccc23)C(F)(F)F)cc1OCc1cccnc1
Show InChI InChI=1S/C22H19BF3N3O3.ClH/c24-22(25,26)15-4-6-16-18(10-15)23(30)32-20(16)9-13-3-5-17(21(27)28)19(8-13)31-12-14-2-1-7-29-11-14;/h1-8,10-11,20,30H,9,12H2,(H3,27,28);1H
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 200n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human C-terminal 6-His-tagged KLKB1 (G20-A638 residues) expressed in mouse NS0 cells using PFR-AMC as substrate incubated for 40 mins b...

Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126675
BindingDB Entry DOI: 10.7270/Q2571GG1
More data for this
Ligand-Target Pair