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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 2' and Ligand = 'BDBM207617'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))
BDBM207617
PNG
(US9260440, 62 | US9617273, Example 62)
Show SMILES CC(C)(N)C(=O)N1Cc2[nH]c3cccc4c3c2c(C1)n[nH]c4=O
Show InChI InChI=1S/C16H17N5O2/c1-16(2,17)15(23)21-6-10-13-11(7-21)19-20-14(22)8-4-3-5-9(18-10)12(8)13/h3-5,18H,6-7,17H2,1-2H3,(H,20,22)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
PARP-2 and PARP-3 enzymatic assays were conducted using commercial PARP-2/PARP-3 Chemiluminescent Assay Kit (BPS Biosciences) and the protocols with ...


US Patent US9260440 (2016)


BindingDB Entry DOI: 10.7270/Q2QV3KBD
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))
BDBM207617
PNG
(US9260440, 62 | US9617273, Example 62)
Show SMILES CC(C)(N)C(=O)N1Cc2[nH]c3cccc4c3c2c(C1)n[nH]c4=O
Show InChI InChI=1S/C16H17N5O2/c1-16(2,17)15(23)21-6-10-13-11(7-21)19-20-14(22)8-4-3-5-9(18-10)12(8)13/h3-5,18H,6-7,17H2,1-2H3,(H,20,22)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PARP-2 (unknown origin) pre-incubated for 30 mins before addition of activated DNA and NAD by chemiluminescent assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01346
BindingDB Entry DOI: 10.7270/Q2474FGF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))
BDBM207617
PNG
(US9260440, 62 | US9617273, Example 62)
Show SMILES CC(C)(N)C(=O)N1Cc2[nH]c3cccc4c3c2c(C1)n[nH]c4=O
Show InChI InChI=1S/C16H17N5O2/c1-16(2,17)15(23)21-6-10-13-11(7-21)19-20-14(22)8-4-3-5-9(18-10)12(8)13/h3-5,18H,6-7,17H2,1-2H3,(H,20,22)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.00E+3n/an/an/an/an/an/a



BeiGene, Ltd.

US Patent


Assay Description
PARP-2 and PARP-3 enzymatic assays were conducted using commercial PARP-2/PARP-3 Chemiluminescent Assay Kit (BPS Biosciences) and the protocols with ...


US Patent US9617273 (2017)


BindingDB Entry DOI: 10.7270/Q2CN75ZV
More data for this
Ligand-Target Pair