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
Marvin 2D Structure
The following exact ligands are found in BindingDB
Wt: 264.2
BDBM50167074
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
3
hits in this display
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
Catechol O-methyltransferase
(Rattus norvegicus (Rat))
BDBM50167074
(CHEMBL3799913)
Show SMILES
Oc1cn(ccc1=O)-c1cc(ccn1)-c1ccccc1
Show InChI
InChI=1S/C16H12N2O2/c19-14-7-9-18(11-15(14)20)16-10-13(6-8-17-16)12-4-2-1-3-5-12/h1-11,20H
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
15
n/a
n/a
n/a
n/a
n/a
n/a
Merck& Co.
Curated by
ChEMBL
Assay Description
Inhibition of recombinant rat C-terminal His10-tagged MB-COMT transfected in Escherichia coli BL21-CodonPlus(DE3)-RIPL using SAM/dopamine as substrat...
Bioorg Med Chem Lett
26:
2952
-
2956
(2016)
Article DOI:
10.1016/j.bmcl.2016.03.095
BindingDB Entry DOI:
10.7270/Q2TM7D1B
More data for this
Ligand-Target Pair
Lanosterol synthase
(Rattus norvegicus)
BDBM50167074
(CHEMBL3799913)
Show SMILES
Oc1cn(ccc1=O)-c1cc(ccn1)-c1ccccc1
Show InChI
InChI=1S/C16H12N2O2/c19-14-7-9-18(11-15(14)20)16-10-13(6-8-17-16)12-4-2-1-3-5-12/h1-11,20H
PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
40
n/a
n/a
n/a
n/a
n/a
n/a
Merck& Co.
Curated by
ChEMBL
Assay Description
Inhibition of recombinant human C-terminal His6-tagged MB-COMT expressed in Bacmid using SAM/dopamine as substrate preincubated for 2 hrs followed by...
Bioorg Med Chem Lett
26:
2952
-
2956
(2016)
Article DOI:
10.1016/j.bmcl.2016.03.095
BindingDB Entry DOI:
10.7270/Q2TM7D1B
More data for this
Ligand-Target Pair
Lanosterol synthase
(Rattus norvegicus)
BDBM50167074
(CHEMBL3799913)
Show SMILES
Oc1cn(ccc1=O)-c1cc(ccn1)-c1ccccc1
Show InChI
InChI=1S/C16H12N2O2/c19-14-7-9-18(11-15(14)20)16-10-13(6-8-17-16)12-4-2-1-3-5-12/h1-11,20H
PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
3.02E+3
n/a
n/a
n/a
n/a
n/a
n/a
Merck& Co.
Curated by
ChEMBL
Assay Description
Inhibition of recombinant human C-terminal His6-tagged soluble COMT transfected in Escherichia coli BL21-Gold (DE3) using SAM/dopamine as substrate p...
Bioorg Med Chem Lett
26:
2952
-
2956
(2016)
Article DOI:
10.1016/j.bmcl.2016.03.095
BindingDB Entry DOI:
10.7270/Q2TM7D1B
More data for this
Ligand-Target Pair