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SMILES: CCOC(=O)C(C)Cc1cnc(C(C)C)n1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=UQXPEJBBTNQSQJ-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50176177   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Malonyl-CoA decarboxylase, mitochondrial


(Homo sapiens (Human))
BDBM50176177
PNG
(CHEMBL377710 | ethyl 3-(1-(4-(1,1,1,3,3,3-hexafluo...)
Show SMILES CCOC(=O)C(C)Cc1cnc(C(C)C)n1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H24F6N2O3/c1-5-32-18(30)13(4)10-16-11-28-17(12(2)3)29(16)15-8-6-14(7-9-15)19(31,20(22,23)24)21(25,26)27/h6-9,11-13,31H,5,10H2,1-4H3
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 37n/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
Malonyl-CoA decarboxylase, mitochondrial


(Homo sapiens (Human))
BDBM50176177
PNG
(CHEMBL377710 | ethyl 3-(1-(4-(1,1,1,3,3,3-hexafluo...)
Show SMILES CCOC(=O)C(C)Cc1cnc(C(C)C)n1-c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H24F6N2O3/c1-5-32-18(30)13(4)10-16-11-28-17(12(2)3)29(16)15-8-6-14(7-9-15)19(31,20(22,23)24)21(25,26)27/h6-9,11-13,31H,5,10H2,1-4H3
PDB

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KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 3.70E+4n/an/an/an/an/an/a



Chugai Pharma USA, LLC

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human MCD MBP fusion protein


Bioorg Med Chem Lett 16: 695-700 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.020
BindingDB Entry DOI: 10.7270/Q2445M11
More data for this
Ligand-Target Pair