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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'CDGSH iron-sulfur domain-containing protein 1' and Ligand = 'BDBM50202146'   
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
CDGSH iron-sulfur domain-containing protein 1


(Homo sapiens (Human))
BDBM50202146
PNG
(5-(4-(benzyloxy)-3-methoxybenzylidene)-2-thioxothi...)
Show SMILES COc1cc(C=C2SC(S)=NC2=O)ccc1OCc1ccccc1 |w:5.4,c:9|
Show InChI InChI=1S/C18H15NO3S2/c1-21-15-9-13(10-16-17(20)19-18(23)24-16)7-8-14(15)22-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,19,20,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
33n/an/an/an/an/an/an/an/a



West Virginia University

Curated by ChEMBL


Assay Description
Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi...


Bioorg Med Chem Lett 26: 5350-5353 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.009
BindingDB Entry DOI: 10.7270/Q2ZP483C
More data for this
Ligand-Target Pair
CDGSH iron-sulfur domain-containing protein 1


(Homo sapiens (Human))
BDBM50202146
PNG
(5-(4-(benzyloxy)-3-methoxybenzylidene)-2-thioxothi...)
Show SMILES COc1cc(C=C2SC(S)=NC2=O)ccc1OCc1ccccc1 |w:5.4,c:9|
Show InChI InChI=1S/C18H15NO3S2/c1-21-15-9-13(10-16-17(20)19-18(23)24-16)7-8-14(15)22-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,19,20,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 770n/an/an/an/an/an/a



West Virginia University

Curated by ChEMBL


Assay Description
Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichi...


Bioorg Med Chem Lett 26: 5350-5353 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.009
BindingDB Entry DOI: 10.7270/Q2ZP483C
More data for this
Ligand-Target Pair