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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Glutathione S-transferase kappa 1' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Glutathione S-transferase kappa 1


(Homo sapiens)
BDBM50422268
PNG
(GLUTATHIONE | GSH)
Show SMILES N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O
Show InChI InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
DrugBank
Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Université Sidi Mohamed Ben Abdellah

Curated by ChEMBL


Assay Description
Affinity towards recombinant Glutathione S-transferase (GST) Enzyme.


Citation and Details
More data for this
Ligand-Target Pair
Glutathione S-transferase kappa 1


(Homo sapiens)
BDBM50064878
PNG
(5-Mercaptomethyl-undecanedioic acid | CHEMBL75497)
Show SMILES OC(=O)CCCCCC(CS)CCCC(O)=O
Show InChI InChI=1S/C12H22O4S/c13-11(14)7-3-1-2-5-10(9-17)6-4-8-12(15)16/h10,17H,1-9H2,(H,13,14)(H,15,16)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 5.20E+3n/an/an/an/an/an/a



Université Sidi Mohamed Ben Abdellah

Curated by ChEMBL


Assay Description
Affinity towards recombinant Glutathione S-transferase (GST) Enzyme.


Citation and Details
More data for this
Ligand-Target Pair
Glutathione S-transferase kappa 1


(Homo sapiens)
BDBM50064879
PNG
(5-Mercaptomethyl-decanedioic acid | CHEMBL73552)
Show SMILES OC(=O)CCCCC(CS)CCCC(O)=O
Show InChI InChI=1S/C11H20O4S/c12-10(13)6-2-1-4-9(8-16)5-3-7-11(14)15/h9,16H,1-8H2,(H,12,13)(H,14,15)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.01E+4n/an/an/an/an/an/a



Université Sidi Mohamed Ben Abdellah

Curated by ChEMBL


Assay Description
Affinity towards recombinant Glutathione S-transferase (GST) Enzyme.


Citation and Details
More data for this
Ligand-Target Pair
Glutathione S-transferase kappa 1


(Homo sapiens)
BDBM50064881
PNG
(4-Mercaptomethyl-decanedioic acid | CHEMBL76285)
Show SMILES OC(=O)CCCCCC(CS)CCC(O)=O
Show InChI InChI=1S/C11H20O4S/c12-10(13)5-3-1-2-4-9(8-16)6-7-11(14)15/h9,16H,1-8H2,(H,12,13)(H,14,15)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.80E+6n/an/an/an/an/an/a



Université Sidi Mohamed Ben Abdellah

Curated by ChEMBL


Assay Description
Affinity towards recombinant Glutathione S-transferase (GST) Enzyme.


Citation and Details
More data for this
Ligand-Target Pair