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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with all data for entry = 50047204   
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)
BDBM50154254
PNG
(CHEMBL3775705)
Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C26H34N2O6/c1-26(2,3)34-25(32)28-20(15-18-11-7-5-8-12-18)22(29)17-23(30)27-21(24(31)33-4)16-19-13-9-6-10-14-19/h5-14,20-22,29H,15-17H2,1-4H3,(H,27,30)(H,28,32)/t20-,21-,22-/m0/s1
PDB
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PC sid
UniChem

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Article
PubMed
120n/an/an/an/an/an/an/an/a



Universidade Federal Fluminense

Curated by ChEMBL


Assay Description
Competitive inhibition of human KLK5 using Abz-KLRSSKQ-EDDnp as substrate preincubated for 5 mins followed by substrate addition by Lineweaver-Burk p...


Eur J Med Chem 112: 39-47 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.060
BindingDB Entry DOI: 10.7270/Q2445PBW
More data for this
Ligand-Target Pair
Kallikrein 5


(Homo sapiens)
BDBM50154253
PNG
(CHEMBL3775377)
Show SMILES COC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C
Show InChI InChI=1S/C22H34N2O6/c1-14(2)19(20(27)29-6)24-18(26)13-17(25)16(12-15-10-8-7-9-11-15)23-21(28)30-22(3,4)5/h7-11,14,16-17,19,25H,12-13H2,1-6H3,(H,23,28)(H,24,26)/t16-,17-,19-/m0/s1
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
130n/an/an/an/an/an/an/an/a



Universidade Federal Fluminense

Curated by ChEMBL


Assay Description
Competitive inhibition of human KLK5 using Abz-KLRSSKQ-EDDnp as substrate preincubated for 5 mins followed by substrate addition by Lineweaver-Burk p...


Eur J Med Chem 112: 39-47 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.060
BindingDB Entry DOI: 10.7270/Q2445PBW
More data for this
Ligand-Target Pair
Kallikrein 5


(Homo sapiens)
BDBM50154252
PNG
(CHEMBL3774934)
Show SMILES COC(=O)[C@@H]1CCCN1C(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C22H32N2O6/c1-22(2,3)30-21(28)23-16(13-15-9-6-5-7-10-15)18(25)14-19(26)24-12-8-11-17(24)20(27)29-4/h5-7,9-10,16-18,25H,8,11-14H2,1-4H3,(H,23,28)/t16-,17-,18-/m0/s1
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
130n/an/an/an/an/an/an/an/a



Universidade Federal Fluminense

Curated by ChEMBL


Assay Description
Competitive inhibition of human KLK5 using Abz-KLRSSKQ-EDDnp as substrate preincubated for 5 mins followed by substrate addition by Lineweaver-Burk p...


Eur J Med Chem 112: 39-47 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.060
BindingDB Entry DOI: 10.7270/Q2445PBW
More data for this
Ligand-Target Pair
Kallikrein 5


(Homo sapiens)
BDBM50154254
PNG
(CHEMBL3775705)
Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C26H34N2O6/c1-26(2,3)34-25(32)28-20(15-18-11-7-5-8-12-18)22(29)17-23(30)27-21(24(31)33-4)16-19-13-9-6-10-14-19/h5-14,20-22,29H,15-17H2,1-4H3,(H,27,30)(H,28,32)/t20-,21-,22-/m0/s1
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 112n/an/an/an/an/an/a



Universidade Federal Fluminense

Curated by ChEMBL


Assay Description
Inhibition of human KLK5 using Abz-KLRSSKQ-EDDnp as substrate preincubated for 5 mins followed by substrate addition by spectrofluorimetric analysis


Eur J Med Chem 112: 39-47 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.060
BindingDB Entry DOI: 10.7270/Q2445PBW
More data for this
Ligand-Target Pair
Kallikrein 5


(Homo sapiens)
BDBM50154253
PNG
(CHEMBL3775377)
Show SMILES COC(=O)[C@@H](NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C
Show InChI InChI=1S/C22H34N2O6/c1-14(2)19(20(27)29-6)24-18(26)13-17(25)16(12-15-10-8-7-9-11-15)23-21(28)30-22(3,4)5/h7-11,14,16-17,19,25H,12-13H2,1-6H3,(H,23,28)(H,24,26)/t16-,17-,19-/m0/s1
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 115n/an/an/an/an/an/a



Universidade Federal Fluminense

Curated by ChEMBL


Assay Description
Inhibition of human KLK5 using Abz-KLRSSKQ-EDDnp as substrate preincubated for 5 mins followed by substrate addition by spectrofluorimetric analysis


Eur J Med Chem 112: 39-47 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.060
BindingDB Entry DOI: 10.7270/Q2445PBW
More data for this
Ligand-Target Pair
Kallikrein 5


(Homo sapiens)
BDBM50154252
PNG
(CHEMBL3774934)
Show SMILES COC(=O)[C@@H]1CCCN1C(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
Show InChI InChI=1S/C22H32N2O6/c1-22(2,3)30-21(28)23-16(13-15-9-6-5-7-10-15)18(25)14-19(26)24-12-8-11-17(24)20(27)29-4/h5-7,9-10,16-18,25H,8,11-14H2,1-4H3,(H,23,28)/t16-,17-,18-/m0/s1
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 122n/an/an/an/an/an/a



Universidade Federal Fluminense

Curated by ChEMBL


Assay Description
Inhibition of human KLK5 using Abz-KLRSSKQ-EDDnp as substrate preincubated for 5 mins followed by substrate addition by spectrofluorimetric analysis


Eur J Med Chem 112: 39-47 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.060
BindingDB Entry DOI: 10.7270/Q2445PBW
More data for this
Ligand-Target Pair