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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50202801   
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))
BDBM50202801
PNG
(CHEMBL245830 | N-(2-cyanoethyl)-N-phenyl-4-(2,2,2-...)
Show SMILES FC(F)(F)C(=O)c1ccc(cc1)C(=O)N(CCC#N)c1ccccc1
Show InChI InChI=1S/C18H13F3N2O2/c19-18(20,21)16(24)13-7-9-14(10-8-13)17(25)23(12-4-11-22)15-5-2-1-3-6-15/h1-3,5-10H,4,12H2
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 155n/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))
BDBM50202801
PNG
(CHEMBL245830 | N-(2-cyanoethyl)-N-phenyl-4-(2,2,2-...)
Show SMILES FC(F)(F)C(=O)c1ccc(cc1)C(=O)N(CCC#N)c1ccccc1
Show InChI InChI=1S/C18H13F3N2O2/c19-18(20,21)16(24)13-7-9-14(10-8-13)17(25)23(12-4-11-22)15-5-2-1-3-6-15/h1-3,5-10H,4,12H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 155n/an/an/an/an/an/a



Chugai Pharma USA, LLC.

Curated by ChEMBL


Assay Description
Inhibition of MBP fused human MCD


Bioorg Med Chem Lett 17: 1127-30 (2007)


Article DOI: 10.1016/j.bmcl.2006.09.023
BindingDB Entry DOI: 10.7270/Q2MP52XX
More data for this
Ligand-Target Pair