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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
pH (Enzymatic Assay)
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Substrate or Competitor
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85%
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Seq ID
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Target Names &
Ki
IC50
Kd
EC50
ΔG°
ΔH°
-TΔS°
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Deposition
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Sent Comments
null
SMILES:
CNC(=O)c1ccc(cn1)N1CCN(Cc2ccc3nc(CCF)c(=O)[nH]c3c2)CC1
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
6
hits for monomerid = 553962
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
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human))
BDBM553962
(US11325906, Example 25)
Show SMILES
CNC(=O)c1ccc(cn1)N1CCN(Cc2ccc3nc(CCF)c(=O)[nH]c3c2)CC1
Show InChI
PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
2
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2
(Homo sapiens (Human))
BDBM553962
(US11325906, Example 25)
Show SMILES
CNC(=O)c1ccc(cn1)N1CCN(Cc2ccc3nc(CCF)c(=O)[nH]c3c2)CC1
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
6.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human))
BDBM553962
(US11325906, Example 25)
Show SMILES
CNC(=O)c1ccc(cn1)N1CCN(Cc2ccc3nc(CCF)c(=O)[nH]c3c2)CC1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
>4.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human))
BDBM553962
(US11325906, Example 25)
Show SMILES
CNC(=O)c1ccc(cn1)N1CCN(Cc2ccc3nc(CCF)c(=O)[nH]c3c2)CC1
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
>1.00E+5
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP6
(Homo sapiens (Human))
BDBM553962
(US11325906, Example 25)
Show SMILES
CNC(=O)c1ccc(cn1)N1CCN(Cc2ccc3nc(CCF)c(=O)[nH]c3c2)CC1
Show InChI
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
>1.00E+5
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP3
(Homo sapiens (Human))
BDBM553962
(US11325906, Example 25)
Show SMILES
CNC(=O)c1ccc(cn1)N1CCN(Cc2ccc3nc(CCF)c(=O)[nH]c3c2)CC1
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
4.30E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
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