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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50186068   
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))
BDBM50186068
PNG
(CHEMBL211767 | methyl 4-((N-(5-(1,1,1,3,3,3-hexafl...)
Show SMILES COC(=O)c1ccc(CN(C(=O)C(C)C)c2ncc(s2)C(O)(C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C19H18F6N2O4S/c1-10(2)14(28)27(9-11-4-6-12(7-5-11)15(29)31-3)16-26-8-13(32-16)17(30,18(20,21)22)19(23,24)25/h4-8,10,30H,9H2,1-3H3
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Article
PubMed
n/an/a 54n/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))
BDBM50186068
PNG
(CHEMBL211767 | methyl 4-((N-(5-(1,1,1,3,3,3-hexafl...)
Show SMILES COC(=O)c1ccc(CN(C(=O)C(C)C)c2ncc(s2)C(O)(C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C19H18F6N2O4S/c1-10(2)14(28)27(9-11-4-6-12(7-5-11)15(29)31-3)16-26-8-13(32-16)17(30,18(20,21)22)19(23,24)25/h4-8,10,30H,9H2,1-3H3
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antibodypedia
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 54n/an/an/an/an/an/a



Chugai Pharma LLC.

Curated by ChEMBL


Assay Description
Inhibition of MCD


Bioorg Med Chem Lett 16: 3484-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.03.100
BindingDB Entry DOI: 10.7270/Q2FJ2GCN
More data for this
Ligand-Target Pair