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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Kallikrein-7' and Ligand = 'BDBM50275974'   
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))
BDBM50275974
PNG
(CHEMBL4126936)
Show SMILES COc1ccc(Cl)cc1C[C@@H]1CN\C(CN([C@@H](C)C(=O)Nc2cccc(c2)-c2cnn(C)c2)C1=O)=N/N(C)C |r|
Show InChI InChI=1S/C28H34ClN7O3/c1-18(27(37)32-24-8-6-7-19(13-24)22-15-31-35(4)16-22)36-17-26(33-34(2)3)30-14-21(28(36)38)11-20-12-23(29)9-10-25(20)39-5/h6-10,12-13,15-16,18,21H,11,14,17H2,1-5H3,(H,30,33)(H,32,37)/t18-,21+/m0/s1
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Article
PubMed
n/an/a 58n/an/an/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His10-tagged KLK7 (E23 to H252 residues) using MOCAcArg-Pro-Lys-Pro-Val-Glu-Nva-Trp-Arg-Lys(Dnp)-NH2 as su...


Bioorg Med Chem 26: 3639-3653 (2018)


Article DOI: 10.1016/j.bmc.2018.05.044
BindingDB Entry DOI: 10.7270/Q27D2XNC
More data for this
Ligand-Target Pair
Kallikrein-7


(Homo sapiens (Human))
BDBM50275974
PNG
(CHEMBL4126936)
Show SMILES COc1ccc(Cl)cc1C[C@@H]1CN\C(CN([C@@H](C)C(=O)Nc2cccc(c2)-c2cnn(C)c2)C1=O)=N/N(C)C |r|
Show InChI InChI=1S/C28H34ClN7O3/c1-18(27(37)32-24-8-6-7-19(13-24)22-15-31-35(4)16-22)36-17-26(33-34(2)3)30-14-21(28(36)38)11-20-12-23(29)9-10-25(20)39-5/h6-10,12-13,15-16,18,21H,11,14,17H2,1-5H3,(H,30,33)(H,32,37)/t18-,21+/m0/s1
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Article
PubMed
n/an/a 58n/an/an/an/an/an/a



Asubio Pharma Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human KLK7 using MOCAc-Arg-Pro-Lys-Pro-Val-Glu-Nva-Trp-Arg-Lys(Dnp)-NH2 as substrate preincubated for 10 mins followed by s...


Bioorg Med Chem Lett 28: 1371-1375 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.011
BindingDB Entry DOI: 10.7270/Q2222XD7
More data for this
Ligand-Target Pair
Kallikrein-7


(Mus musculus)
BDBM50275974
PNG
(CHEMBL4126936)
Show SMILES COc1ccc(Cl)cc1C[C@@H]1CN\C(CN([C@@H](C)C(=O)Nc2cccc(c2)-c2cnn(C)c2)C1=O)=N/N(C)C |r|
Show InChI InChI=1S/C28H34ClN7O3/c1-18(27(37)32-24-8-6-7-19(13-24)22-15-31-35(4)16-22)36-17-26(33-34(2)3)30-14-21(28(36)38)11-20-12-23(29)9-10-25(20)39-5/h6-10,12-13,15-16,18,21H,11,14,17H2,1-5H3,(H,30,33)(H,32,37)/t18-,21+/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of mouse KLK7 using MOCAcArg-Pro-Lys-Pro-Val-Glu-Nva-Trp-Arg-Lys(Dnp)-NH2 as substrate preincubated for 10 mins followed by substrate addi...


Bioorg Med Chem 26: 3639-3653 (2018)


Article DOI: 10.1016/j.bmc.2018.05.044
BindingDB Entry DOI: 10.7270/Q27D2XNC
More data for this
Ligand-Target Pair