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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
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Ki
IC50
Kd
EC50
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PubMed code
25262940
Compile data set for download or QSAR
Found
3
hits of Enzyme Inhibition Constant Data
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human))
BDBM50102650
(CHEMBL3357979)
Show SMILES
CCCCCCCc1oc2cc(O)ccc2c(=O)c1-c1ccc(O)cc1
Show InChI
InChI=1S/C22H24O4/c1-2-3-4-5-6-7-19-21(15-8-10-16(23)11-9-15)22(25)18-13-12-17(24)14-20(18)26-19/h8-14,23-24H,2-7H2,1H3
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
n/a
n/a
5.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
University of Copenhagen
Curated by
ChEMBL
Assay Description
Competitive binding to human GST-tagged PPAR-gamma by TR-FRET assay
Bioorg Med Chem
22:
6105
-
11
(2014)
Article DOI:
10.1016/j.bmc.2014.08.037
BindingDB Entry DOI:
10.7270/Q2251KZX
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human))
BDBM50102652
(CHEMBL1373918)
Show SMILES
COc1ccc(cc1)C(C)C(=O)c1ccc(O)cc1O
Show InChI
InChI=1S/C16H16O4/c1-10(11-3-6-13(20-2)7-4-11)16(19)14-8-5-12(17)9-15(14)18/h3-10,17-18H,1-2H3
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
n/a
n/a
2.60E+4
n/a
n/a
n/a
n/a
n/a
n/a
University of Copenhagen
Curated by
ChEMBL
Assay Description
Binding affinity to PPAR-gamma (unknown origin)
Bioorg Med Chem
22:
6105
-
11
(2014)
Article DOI:
10.1016/j.bmc.2014.08.037
BindingDB Entry DOI:
10.7270/Q2251KZX
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human))
BDBM50102651
(CHEMBL3343011)
Show SMILES
COc1ccc(cc1)C1COc2cc(O)ccc2C1=O
Show InChI
InChI=1S/C16H14O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-8,14,17H,9H2,1H3
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
n/a
n/a
1.24E+5
n/a
n/a
n/a
n/a
n/a
n/a
University of Copenhagen
Curated by
ChEMBL
Assay Description
Binding affinity to PPAR-gamma (unknown origin)
Bioorg Med Chem
22:
6105
-
11
(2014)
Article DOI:
10.1016/j.bmc.2014.08.037
BindingDB Entry DOI:
10.7270/Q2251KZX
More data for this
Ligand-Target Pair
*
indicates data uncertainty>20%
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