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Compile Data Set for Download or QSAR

Found 3 hits of ic50 data for polymerid = 4585   
Target
(Institution)
LigandTarget
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
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

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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)

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

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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)

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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Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
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)

More data for this
Ligand-Target Pair