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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kallikrein-1 (KLK1)' and Ligand = 'BDBM50147085'   
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
Kallikrein-1 (KLK1)


(Homo sapiens (Human))
BDBM50147085
PNG
(7-METHOXY-8-[1-(METHYLSULFONYL)-1H-PYRAZOL-4-YL]NA...)
Show SMILES COc1ccc2ccc(cc2c1-c1cnn(c1)S(C)(=O)=O)C(N)=N
Show InChI InChI=1S/C16H16N4O3S/c1-23-14-6-5-10-3-4-11(16(17)18)7-13(10)15(14)12-8-19-20(9-12)24(2,21)22/h3-9H,1-2H3,(H3,17,18)
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PC cid
PC sid
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Article
PubMed
1.40E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards P-kallikrein


Bioorg Med Chem Lett 14: 3063-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.030
BindingDB Entry DOI: 10.7270/Q29K49PG
More data for this
Ligand-Target Pair