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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kallikrein-5' and Ligand = 'BDBM50525912'   
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-5


(Homo sapiens (Human))
BDBM50525912
PNG
(CHEMBL4543039)
Show SMILES Cl.NC(=N)c1ccc(CC2OB(O)c3cc(F)ccc23)cc1OCc1cccnc1
Show InChI InChI=1S/C21H19BFN3O3.ClH/c23-15-4-6-16-18(10-15)22(27)29-20(16)9-13-3-5-17(21(24)25)19(8-13)28-12-14-2-1-7-26-11-14;/h1-8,10-11,20,27H,9,12H2,(H3,24,25);1H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 6His-Q-FLAG-tagged KLK5 expressed in baculovirus infected Sf9 insect cells using (Tos-Gly-Pro-Arg)2[R110].2TFA as sub...


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
Kallikrein-5


(Homo sapiens (Human))
BDBM50525912
PNG
(CHEMBL4543039)
Show SMILES Cl.NC(=N)c1ccc(CC2OB(O)c3cc(F)ccc23)cc1OCc1cccnc1
Show InChI InChI=1S/C21H19BFN3O3.ClH/c23-15-4-6-16-18(10-15)22(27)29-20(16)9-13-3-5-17(21(24)25)19(8-13)28-12-14-2-1-7-26-11-14;/h1-8,10-11,20,27H,9,12H2,(H3,24,25);1H
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.30n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 6His-Q-FLAG-tagged KLK5 expressed in baculovirus infected Sf9 insect cells using (Tos-Gly-Pro-Arg)2[R110].2TFA as sub...


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