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SMILES: OCCN(C(=O)N1CCOCC1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F

InChI Key: InChIKey=KFXNTVQJLUWUPO-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50183282   
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))
BDBM50183282
PNG
(CHEMBL204273 | N-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES OCCN(C(=O)N1CCOCC1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H18F6N2O4/c17-15(18,19)14(27,16(20,21)22)11-1-3-12(4-2-11)24(5-8-25)13(26)23-6-9-28-10-7-23/h1-4,25,27H,5-10H2
PDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 166n/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))
BDBM50183282
PNG
(CHEMBL204273 | N-(4-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES OCCN(C(=O)N1CCOCC1)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H18F6N2O4/c17-15(18,19)14(27,16(20,21)22)11-1-3-12(4-2-11)24(5-8-25)13(26)23-6-9-28-10-7-23/h1-4,25,27H,5-10H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 166n/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