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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 = 'BDBM50198766'   
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))
BDBM50198766
PNG
(CHEMBL3982310)
Show SMILES COc1cccc2CC(Oc12)C(=O)C1=C(O)C(=O)N(C1c1ccco1)c1nc(C)c(C)s1 |c:15|
Show InChI InChI=1S/C23H20N2O6S/c1-11-12(2)32-23(24-11)25-18(14-8-5-9-30-14)17(20(27)22(25)28)19(26)16-10-13-6-4-7-15(29-3)21(13)31-16/h4-9,16,18,27H,10H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
141n/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))
BDBM50198766
PNG
(CHEMBL3982310)
Show SMILES COc1cccc2CC(Oc12)C(=O)C1=C(O)C(=O)N(C1c1ccco1)c1nc(C)c(C)s1 |c:15|
Show InChI InChI=1S/C23H20N2O6S/c1-11-12(2)32-23(24-11)25-18(14-8-5-9-30-14)17(20(27)22(25)28)19(26)16-10-13-6-4-7-15(29-3)21(13)31-16/h4-9,16,18,27H,10H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 3.30E+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