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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
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Name
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/
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85%
100%
Seq ID
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All Compounds & Data
Target Names &
Ki
IC50
Kd
EC50
ΔG°
ΔH°
-TΔS°
Enter Data
Deposition
Contribute data
Sent Comments
null
SMILES:
CC#Cc1ccc2c(nc(CSc3ncccn3)[nH]c2=O)c1C
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
9
hits for monomerid = 50594012
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 PARP11
(Homo sapiens)
BDBM50594012
(CHEMBL5191676)
Show SMILES
CC#Cc1ccc2c(nc(CSc3ncccn3)[nH]c2=O)c1C
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
14
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))
BDBM50594012
(CHEMBL5191676)
Show SMILES
CC#Cc1ccc2c(nc(CSc3ncccn3)[nH]c2=O)c1C
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
9.28E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00281
BindingDB Entry DOI:
10.7270/Q26D5Z03
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP14
(Homo sapiens (Human))
BDBM50594012
(CHEMBL5191676)
Show SMILES
CC#Cc1ccc2c(nc(CSc3ncccn3)[nH]c2=O)c1C
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
2.86E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00281
BindingDB Entry DOI:
10.7270/Q26D5Z03
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP11
(Homo sapiens)
BDBM50594012
(CHEMBL5191676)
Show SMILES
CC#Cc1ccc2c(nc(CSc3ncccn3)[nH]c2=O)c1C
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
14
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00281
BindingDB Entry DOI:
10.7270/Q26D5Z03
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP15
(Homo sapiens (Human))
BDBM50594012
(CHEMBL5191676)
Show SMILES
CC#Cc1ccc2c(nc(CSc3ncccn3)[nH]c2=O)c1C
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
Purchase
MCE
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
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00281
BindingDB Entry DOI:
10.7270/Q26D5Z03
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2
(Homo sapiens (Human))
BDBM50594012
(CHEMBL5191676)
Show SMILES
CC#Cc1ccc2c(nc(CSc3ncccn3)[nH]c2=O)c1C
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
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
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00281
BindingDB Entry DOI:
10.7270/Q26D5Z03
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP3
(Homo sapiens (Human))
BDBM50594012
(CHEMBL5191676)
Show SMILES
CC#Cc1ccc2c(nc(CSc3ncccn3)[nH]c2=O)c1C
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
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
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00281
BindingDB Entry DOI:
10.7270/Q26D5Z03
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human))
BDBM50594012
(CHEMBL5191676)
Show SMILES
CC#Cc1ccc2c(nc(CSc3ncccn3)[nH]c2=O)c1C
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
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
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00281
BindingDB Entry DOI:
10.7270/Q26D5Z03
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human))
BDBM50594012
(CHEMBL5191676)
Show SMILES
CC#Cc1ccc2c(nc(CSc3ncccn3)[nH]c2=O)c1C
Show InChI
PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
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
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00281
BindingDB Entry DOI:
10.7270/Q26D5Z03
More data for this
Ligand-Target Pair
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