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Target
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Compile Data Set for Download or QSAR
Found
4
hits Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM553940'
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM553940
(US11325906, Example 4)
Show SMILES
CCc1cc2ncc(CN3CCN(CC3)c3ccc(nc3)C(=O)NC)cc2[nH]c1=O
Show InChI
PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
0.310
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmcl.2022.129046
BindingDB Entry DOI:
10.7270/Q2V41095
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human))
BDBM553940
(US11325906, Example 4)
Show SMILES
CCc1cc2ncc(CN3CCN(CC3)c3ccc(nc3)C(=O)NC)cc2[nH]c1=O
Show InChI
PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
0.650
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.bmcl.2022.129046
BindingDB Entry DOI:
10.7270/Q2V41095
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human))
BDBM553940
(US11325906, Example 4)
Show SMILES
CCc1cc2ncc(CN3CCN(CC3)c3ccc(nc3)C(=O)NC)cc2[nH]c1=O
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
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c01012
BindingDB Entry DOI:
10.7270/Q2Z03D7J
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human))
BDBM553940
(US11325906, Example 4)
Show SMILES
CCc1cc2ncc(CN3CCN(CC3)c3ccc(nc3)C(=O)NC)cc2[nH]c1=O
Show InChI
PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
US Patent
n/a
n/a
4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
PARP1: Recombinant full length 6HIS tagged PARP1 protein was diluted to 6 nM with 50 mM Tris pH 8, 0.001% Triton X100, 10 mM MgCl2, 150 mM NaCl and i...
Citation and Details
BindingDB Entry DOI:
10.7270/Q2348PKV
More data for this
Ligand-Target Pair
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