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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 = 'BDBM50198896'   
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))
BDBM50198896
PNG
(CHEMBL3917957)
Show SMILES CC(=O)NC1=NC(=O)\C(S1)=C/c1ccc(OCc2cccc(F)c2)c(Cl)c1 |t:4|
Show InChI InChI=1S/C19H14ClFN2O3S/c1-11(24)22-19-23-18(25)17(27-19)9-12-5-6-16(15(20)8-12)26-10-13-3-2-4-14(21)7-13/h2-9H,10H2,1H3,(H,22,23,24,25)/b17-9+
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
341n/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))
BDBM50198896
PNG
(CHEMBL3917957)
Show SMILES CC(=O)NC1=NC(=O)\C(S1)=C/c1ccc(OCc2cccc(F)c2)c(Cl)c1 |t:4|
Show InChI InChI=1S/C19H14ClFN2O3S/c1-11(24)22-19-23-18(25)17(27-19)9-12-5-6-16(15(20)8-12)26-10-13-3-2-4-14(21)7-13/h2-9H,10H2,1H3,(H,22,23,24,25)/b17-9+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.98E+3n/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