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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
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Important Compounds
Chemical Structure
Name
SMILES
Number of Data
/
Targets
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Citation
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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:
NC(=O)c1ccc(OCC2CCC2)cc1
InChI Key:
PDB links:
1
PDB ID matches this monomer.
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
13
hits for monomerid = 50593992
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
Protein mono-ADP-ribosyltransferase PARP10
(Homo sapiens (Human))
BDBM50593992
(CHEMBL5186967)
Show SMILES
NC(=O)c1ccc(OCC2CCC2)cc1
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/a
n/a
290
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114362
BindingDB Entry DOI:
10.7270/Q20V8HSS
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP10
(Homo sapiens (Human))
BDBM50593992
(CHEMBL5186967)
Show SMILES
NC(=O)c1ccc(OCC2CCC2)cc1
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/a
n/a
288
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114362
BindingDB Entry DOI:
10.7270/Q20V8HSS
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP15
(Homo sapiens (Human))
BDBM50593992
(CHEMBL5186967)
Show SMILES
NC(=O)c1ccc(OCC2CCC2)cc1
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/a
n/a
2.40E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114362
BindingDB Entry DOI:
10.7270/Q20V8HSS
More data for this
Ligand-Target Pair
3D Structure (crystal)
Protein mono-ADP-ribosyltransferase PARP15
(Homo sapiens (Human))
BDBM50593992
(CHEMBL5186967)
Show SMILES
NC(=O)c1ccc(OCC2CCC2)cc1
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/a
n/a
2.40E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114362
BindingDB Entry DOI:
10.7270/Q20V8HSS
More data for this
Ligand-Target Pair
3D Structure (crystal)
Protein mono-ADP-ribosyltransferase PARP14
(Homo sapiens (Human))
BDBM50593992
(CHEMBL5186967)
Show SMILES
NC(=O)c1ccc(OCC2CCC2)cc1
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114362
BindingDB Entry DOI:
10.7270/Q20V8HSS
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2
(Homo sapiens (Human))
BDBM50593992
(CHEMBL5186967)
Show SMILES
NC(=O)c1ccc(OCC2CCC2)cc1
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/a
n/a
3.80E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114362
BindingDB Entry DOI:
10.7270/Q20V8HSS
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP16
(Homo sapiens (Human))
BDBM50593992
(CHEMBL5186967)
Show SMILES
NC(=O)c1ccc(OCC2CCC2)cc1
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114362
BindingDB Entry DOI:
10.7270/Q20V8HSS
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human))
BDBM50593992
(CHEMBL5186967)
Show SMILES
NC(=O)c1ccc(OCC2CCC2)cc1
Show InChI
PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/a
n/a
>1.00E+5
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114362
BindingDB Entry DOI:
10.7270/Q20V8HSS
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP3
(Homo sapiens (Human))
BDBM50593992
(CHEMBL5186967)
Show SMILES
NC(=O)c1ccc(OCC2CCC2)cc1
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/a
n/a
>1.00E+5
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114362
BindingDB Entry DOI:
10.7270/Q20V8HSS
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP4
(Homo sapiens (Human))
BDBM50593992
(CHEMBL5186967)
Show SMILES
NC(=O)c1ccc(OCC2CCC2)cc1
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/a
n/a
>1.00E+5
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114362
BindingDB Entry DOI:
10.7270/Q20V8HSS
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human))
BDBM50593992
(CHEMBL5186967)
Show SMILES
NC(=O)c1ccc(OCC2CCC2)cc1
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/a
n/a
>1.00E+5
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114362
BindingDB Entry DOI:
10.7270/Q20V8HSS
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP12
(Homo sapiens (Human))
BDBM50593992
(CHEMBL5186967)
Show SMILES
NC(=O)c1ccc(OCC2CCC2)cc1
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114362
BindingDB Entry DOI:
10.7270/Q20V8HSS
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2
(Homo sapiens (Human))
BDBM50593992
(CHEMBL5186967)
Show SMILES
NC(=O)c1ccc(OCC2CCC2)cc1
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/a
n/a
>1.00E+5
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114362
BindingDB Entry DOI:
10.7270/Q20V8HSS
More data for this
Ligand-Target Pair
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