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Compile Data Set for Download or QSAR

Found 3 hits of affinity data for UniProtKB/TrEMBL: B0K020   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
CDGSH iron-sulfur domain-containing protein 1


(Rattus norvegicus)
BDBM50350486
PNG
(CHEMBL602048)
Show SMILES CC(C)(C)c1cc(Cc2sc(=O)[nH]c2O)cc(c1O)C(C)(C)C
Show InChI InChI=1S/C18H25NO3S/c1-17(2,3)11-7-10(8-12(14(11)20)18(4,5)6)9-13-15(21)19-16(22)23-13/h7-8,20-21H,9H2,1-6H3,(H,19,22)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 900n/an/an/an/an/an/a



Northeastern Ohio Universities

Curated by ChEMBL


Assay Description
Displacement of [3H]rosiglitazone from rat liver mitochondrial mitoNEET by scintillation counting


Bioorg Med Chem Lett 20: 819-23 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.088
BindingDB Entry DOI: 10.7270/Q2280BFZ
More data for this
Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1


(Rattus norvegicus)
BDBM50103521
PNG
(Actos | CHEBI:8228 | Duetact | PIOGLITAZONE | Piog...)
Show SMILES CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1
Show InChI InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,17H,2,9-11H2,1H3,(H,21,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Northeastern Ohio Universities

Curated by ChEMBL


Assay Description
Displacement of [3H]rosiglitazone from rat liver mitochondrial mitoNEET by scintillation counting


Bioorg Med Chem Lett 20: 819-23 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.088
BindingDB Entry DOI: 10.7270/Q2280BFZ
More data for this
Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1


(Rattus norvegicus)
BDBM50030474
PNG
(Avandamet | Avandaryl | Avandia | BRL-49653 | CHEB...)
Show SMILES CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1
Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

DrugBank
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



Northeastern Ohio Universities

Curated by ChEMBL


Assay Description
Displacement of [3H]rosiglitazone from rat liver mitochondrial mitoNEET by scintillation counting


Bioorg Med Chem Lett 20: 819-23 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.088
BindingDB Entry DOI: 10.7270/Q2280BFZ
More data for this
Ligand-Target Pair