Home
Info
Download
About us
Email us
Contribute data
Web Services
Beta Site
myBDB
logout
Search and Browse
Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
pH (Enzymatic Assay)
pH (ITC)
Substrate or Competitor
Compound Mol. Wt.
Chemical Structure
Pathways
Source Organism
Number of Compounds
Monomer List in csv
Het List in SDF
Compound
FDA Drugs
Important Compounds
Chemical Structure
Name
SMILES
Number of Data
/
Targets
Special tools
3D Structure Series
Find My Compound's Targets
Find Compounds for My Targets
Do Virtual Screening
SCOP
Citation
Author
Journal/Citation
Institution
PubMed
PubChem BioAssay
US Patent
Special Data Sets
D3R
Host Guest Systems
Prot-Lig Validation Sets
Other Databases
PDB
85%
100%
Seq ID
UniProtKB/Swiss-Prot
UniProtKB/TrEMBL
PubMed
Download
All Compounds & Data
Target Names &
Ki
IC50
Kd
EC50
ΔG°
ΔH°
-TΔS°
Enter Data
Deposition
Contribute data
Sent Comments
Compile Data Set for Download or QSAR
Found
2
hits of ki for monomerid = 50428854
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))
BDBM50428854
(CHEMBL1236924)
Show SMILES
Clc1ccc(c(Cl)c1)S(=O)(=O)Nc1cc(Cl)c(Oc2cnc3ccccc3c2)c(Cl)c1
Show InChI
InChI=1S/C21H12Cl4N2O3S/c22-13-5-6-20(16(23)8-13)31(28,29)27-14-9-17(24)21(18(25)10-14)30-15-7-12-3-1-2-4-19(12)26-11-15/h1-11,27H
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Similars
MMDB
PDB
Article
PubMed
10
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
The University of Tokyo
Curated by
ChEMBL
Assay Description
Displacement of [3H]rosiglitazone from PPARgamma (unknown origin)
Bioorg Med Chem
24:
5455
-
5461
(2016)
Article DOI:
10.1016/j.bmc.2016.08.067
BindingDB Entry DOI:
10.7270/Q21V5JGB
More data for this
Ligand-Target Pair
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human))
BDBM50428854
(CHEMBL1236924)
Show SMILES
Clc1ccc(c(Cl)c1)S(=O)(=O)Nc1cc(Cl)c(Oc2cnc3ccccc3c2)c(Cl)c1
Show InChI
InChI=1S/C21H12Cl4N2O3S/c22-13-5-6-20(16(23)8-13)31(28,29)27-14-9-17(24)21(18(25)10-14)30-15-7-12-3-1-2-4-19(12)26-11-15/h1-11,27H
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Similars
MMDB
PDB
Article
PubMed
10
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
The Scripps Research Institute
Curated by
ChEMBL
Assay Description
Displacement of [3H]rosiglitazone from human PPARgamma LBD expressed in HEK293 cells by filtration assay
J Med Chem
60:
4584
-
4593
(2017)
Article DOI:
10.1021/acs.jmedchem.6b01727
BindingDB Entry DOI:
10.7270/Q23J3G4S
More data for this
Ligand-Target Pair
3D Structure (crystal)