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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
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Target Names &
Ki
IC50
Kd
EC50
ΔG°
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Deposition
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Sent Comments
null
SMILES:
O[C@@H]1[C@@H](CNC(=O)c2ccccc12)c1ccccc1
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
4
hits for monomerid = 50594268
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 PARP3
(Homo sapiens (Human))
BDBM50594268
(CHEMBL5178746)
Show SMILES
O[C@@H]1[C@@H](CNC(=O)c2ccccc12)c1ccccc1 |r|
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
3.10E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c01897
BindingDB Entry DOI:
10.7270/Q2BZ6B2P
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP3
(Homo sapiens (Human))
BDBM50594268
(CHEMBL5178746)
Show SMILES
O[C@@H]1[C@@H](CNC(=O)c2ccccc12)c1ccccc1 |r|
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
3.10E+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 PARP16
(Homo sapiens (Human))
BDBM50594268
(CHEMBL5178746)
Show SMILES
O[C@@H]1[C@@H](CNC(=O)c2ccccc12)c1ccccc1 |r|
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
2.96E+5
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 PARP16
(Homo sapiens (Human))
BDBM50594268
(CHEMBL5178746)
Show SMILES
O[C@@H]1[C@@H](CNC(=O)c2ccccc12)c1ccccc1 |r|
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
2.96E+5
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c01897
BindingDB Entry DOI:
10.7270/Q2BZ6B2P
More data for this
Ligand-Target Pair
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