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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'acetyl-CoA acetyltransferase/HMG-CoA reductase'   
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
acetyl-CoA acetyltransferase/HMG-CoA reductase


(Enterococcus faecalis)
BDBM42076
PNG
(4-[[1-(2-chlorobenzyl)indol-3-yl]-(3-keto-5-methyl...)
Show SMILES Cc1[nH][nH]c(=O)c1C(c1cn(Cc2ccccc2Cl)c2ccccc12)c1c(C)[nH][nH]c1=O
Show InChI InChI=1S/C24H22ClN5O2/c1-13-20(23(31)28-26-13)22(21-14(2)27-29-24(21)32)17-12-30(19-10-6-4-8-16(17)19)11-15-7-3-5-9-18(15)25/h3-10,12,22H,11H2,1-2H3,(H2,26,28,31)(H2,27,29,32)
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 9.10E+4n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q20R9MTT
More data for this
Ligand-Target Pair
acetyl-CoA acetyltransferase/HMG-CoA reductase


(Enterococcus faecalis)
BDBM42077
PNG
(4-({[(2-phenyl-5H-chromeno[2,3-d]pyrimidin-4-yl)th...)
Show SMILES OC(=O)c1ccc(NC(=O)CSc2nc(nc3Oc4ccccc4Cc23)-c2ccccc2)cc1
Show InChI InChI=1S/C26H19N3O4S/c30-22(27-19-12-10-17(11-13-19)26(31)32)15-34-25-20-14-18-8-4-5-9-21(18)33-24(20)28-23(29-25)16-6-2-1-3-7-16/h1-13H,14-15H2,(H,27,30)(H,31,32)
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.64E+5n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q20R9MTT
More data for this
Ligand-Target Pair
acetyl-CoA acetyltransferase/HMG-CoA reductase


(Enterococcus faecalis)
BDBM4078
PNG
(6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...)
Show SMILES Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O
Show InChI InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H
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CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PCBioAssay
n/an/a 1.27E+6n/an/an/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q20R9MTT
More data for this
Ligand-Target Pair