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
null
SMILES:
Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1ccc(cc1)S(N)(=O)=O
InChI Key:
Find this compound or compounds like it in BindingDB or PDB:
Substructure
Similarity at least:
must be >=0.5
Exact match
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found
8
hits for monomerid = 50555707
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Adenosine receptor A1
(Homo sapiens (Human))
BDBM50555707
(CHEMBL4741273)
Show SMILES
Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1ccc(cc1)S(N)(=O)=O
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
205
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Displacement of [3H]-CCPA from human A1 receptor stably expressed in CHO cell membranes by radioligand competitive binding assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112478
BindingDB Entry DOI:
10.7270/Q2571GPQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 12
(Homo sapiens (Human))
BDBM50555707
(CHEMBL4741273)
Show SMILES
Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1ccc(cc1)S(N)(=O)=O
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
602
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human CA12 incubated for 15 mins by stopped- flow CO2 hydrase assay method
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112478
BindingDB Entry DOI:
10.7270/Q2571GPQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2
(Homo sapiens (Human))
BDBM50555707
(CHEMBL4741273)
Show SMILES
Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1ccc(cc1)S(N)(=O)=O
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
703
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human CA2 incubated for 15 mins by stopped- flow CO2 hydrase assay method
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112478
BindingDB Entry DOI:
10.7270/Q2571GPQ
More data for this
Ligand-Target Pair
Adenosine receptor A2a
(Homo sapiens (Human))
BDBM50555707
(CHEMBL4741273)
Show SMILES
Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1ccc(cc1)S(N)(=O)=O
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
857
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Displacement of [3H]-NECA from human A2A receptor stably expressed in CHO cell membranes by radioligand competitive binding assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112478
BindingDB Entry DOI:
10.7270/Q2571GPQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 1
(Homo sapiens (Human))
BDBM50555707
(CHEMBL4741273)
Show SMILES
Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1ccc(cc1)S(N)(=O)=O
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
8.02E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human CA1 incubated for 15 mins by stopped- flow CO2 hydrase assay method
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112478
BindingDB Entry DOI:
10.7270/Q2571GPQ
More data for this
Ligand-Target Pair
Carbonic anhydrase 9
(Homo sapiens (Human))
BDBM50555707
(CHEMBL4741273)
Show SMILES
Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1ccc(cc1)S(N)(=O)=O
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
8.92E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human CA9 incubated for 15 mins by stopped- flow CO2 hydrase assay method
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112478
BindingDB Entry DOI:
10.7270/Q2571GPQ
More data for this
Ligand-Target Pair
Adenosine receptor A3
(Homo sapiens (Human))
BDBM50555707
(CHEMBL4741273)
Show SMILES
Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1ccc(cc1)S(N)(=O)=O
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
1.48E+4
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Displacement of [3H]-HEMADO from human A3 receptor stably expressed in CHO cell membranes by radioligand competitive binding assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112478
BindingDB Entry DOI:
10.7270/Q2571GPQ
More data for this
Ligand-Target Pair
Adenosine receptor A2b
(Homo sapiens (Human))
BDBM50555707
(CHEMBL4741273)
Show SMILES
Nc1nc(cn2c1nn(-c1ccccc1)c2=O)-c1ccc(cc1)S(N)(=O)=O
Show InChI
PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>3.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Antagonist activity at human A2B receptor expressed in CHO cell membrane assessed as reduction in NECA-stimulated AMP level by GloSensor CAMP assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112478
BindingDB Entry DOI:
10.7270/Q2571GPQ
More data for this
Ligand-Target Pair
Search and Browse
