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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Malonyl-CoA decarboxylase, mitochondrial' and Ligand = 'BDBM50183286'   
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
Malonyl-CoA decarboxylase, mitochondrial


(Homo sapiens (Human))
BDBM50183286
PNG
(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N,...)
Show SMILES CC(C)CN(CC(C)C)C(=O)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H23F6NO2/c1-11(2)9-25(10-12(3)4)15(26)13-5-7-14(8-6-13)16(27,17(19,20)21)18(22,23)24/h5-8,11-12,27H,9-10H2,1-4H3
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.0700n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of MCD


J Med Chem 49: 1517-25 (2006)


Article DOI: 10.1021/jm050109n
BindingDB Entry DOI: 10.7270/Q2C828XZ
More data for this
Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial


(Homo sapiens (Human))
BDBM50183286
PNG
(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N,...)
Show SMILES CC(C)CN(CC(C)C)C(=O)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H23F6NO2/c1-11(2)9-25(10-12(3)4)15(26)13-5-7-14(8-6-13)16(27,17(19,20)21)18(22,23)24/h5-8,11-12,27H,9-10H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 70n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MCD


Bioorg Med Chem 15: 4470-81 (2007)


Article DOI: 10.1016/j.bmc.2007.04.025
BindingDB Entry DOI: 10.7270/Q2KH0N1C
More data for this
Ligand-Target Pair