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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kallikrein-7' and Ligand = 'BDBM50518308'   
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-7


(Homo sapiens (Human))
BDBM50518308
PNG
(CHEMBL4554224)
Show SMILES CC1=NC(CN1)c1cn(c2ccc(C)cc12)S(=O)(=O)c1ccccc1Br |t:1|
Show InChI InChI=1S/C19H18BrN3O2S/c1-12-7-8-18-14(9-12)15(17-10-21-13(2)22-17)11-23(18)26(24,25)19-6-4-3-5-16(19)20/h3-9,11,17H,10H2,1-2H3,(H,21,22)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 390n/an/an/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of thermolysin activated recombinant human C-terminal 10-His tagged KLK7 (E23 to H252 residues) using MOCAc-Arg-Pro-Lys-Pro-Val-Glu-Nva-Tr...


Bioorg Med Chem Lett 29: 334-338 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.011
BindingDB Entry DOI: 10.7270/Q27M0CB1
More data for this
Ligand-Target Pair
Kallikrein-7


(Mus musculus)
BDBM50518308
PNG
(CHEMBL4554224)
Show SMILES CC1=NC(CN1)c1cn(c2ccc(C)cc12)S(=O)(=O)c1ccccc1Br |t:1|
Show InChI InChI=1S/C19H18BrN3O2S/c1-12-7-8-18-14(9-12)15(17-10-21-13(2)22-17)11-23(18)26(24,25)19-6-4-3-5-16(19)20/h3-9,11,17H,10H2,1-2H3,(H,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 400n/an/an/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of enterokinase activated recombinant mouse C-terminal His6-tagged KLK7 (Gln22 to Arg249 residues) using MOCAc-Arg-Pro-Lys-Pro-Val-Glu-Nva...


Bioorg Med Chem Lett 29: 334-338 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.011
BindingDB Entry DOI: 10.7270/Q27M0CB1
More data for this
Ligand-Target Pair