new BindingDB logo
myBDB logout

PubMed code 23849206

Compile data set for download or QSAR
Found 22 hits of Enzyme Inhibition Constant Data   
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 (PARP2)


(Mus musculus (Mouse))
BDBM50438603
PNG
(CHEMBL2414044)
Show SMILES Cc1ccc(cc1)-c1cc2c(N)cccc2c(=O)[nH]1
Show InChI InChI=1S/C16H14N2O/c1-10-5-7-11(8-6-10)15-9-13-12(16(19)18-15)3-2-4-14(13)17/h2-9H,17H2,1H3,(H,18,19)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 120n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of mouse PARP-2


Bioorg Med Chem 21: 5218-27 (2013)


Article DOI: 10.1016/j.bmc.2013.06.031
BindingDB Entry DOI: 10.7270/Q2BP047D
More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 2 (PARP2)


(Mus musculus (Mouse))
BDBM50438601
PNG
(CHEMBL2414046)
Show SMILES Nc1cccc2c1cc([nH]c2=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H11ClN2O/c16-10-6-4-9(5-7-10)14-8-12-11(15(19)18-14)2-1-3-13(12)17/h1-8H,17H2,(H,18,19)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 160n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of mouse PARP-2


Bioorg Med Chem 21: 5218-27 (2013)


Article DOI: 10.1016/j.bmc.2013.06.031
BindingDB Entry DOI: 10.7270/Q2BP047D
More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 2 (PARP2)


(Mus musculus (Mouse))
BDBM50438605
PNG
(CHEMBL2414042)
Show SMILES Nc1cccc2c1cc([nH]c2=O)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C16H11F3N2O/c17-16(18,19)10-6-4-9(5-7-10)14-8-12-11(15(22)21-14)2-1-3-13(12)20/h1-8H,20H2,(H,21,22)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 170n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of mouse PARP-2


Bioorg Med Chem 21: 5218-27 (2013)


Article DOI: 10.1016/j.bmc.2013.06.031
BindingDB Entry DOI: 10.7270/Q2BP047D
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50438600
PNG
(CHEMBL2414048)
Show SMILES Cc1cc2c(N)cccc2c(=O)[nH]1
Show InChI InChI=1S/C10H10N2O/c1-6-5-8-7(10(13)12-6)3-2-4-9(8)11/h2-5H,11H2,1H3,(H,12,13)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 230n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human PARP-1 assessed as synthesis of [3H]-ADP-ribose polymers from [3H]-NAD+ by scintillation proximity assay


Bioorg Med Chem 21: 5218-27 (2013)


Article DOI: 10.1016/j.bmc.2013.06.031
BindingDB Entry DOI: 10.7270/Q2BP047D
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Bos taurus)
BDBM27503
PNG
(5-AIQ | 5-amino-1,2-dihydroisoquinolin-1-one | 5-a...)
Show SMILES Nc1cccc2c1cc[nH]c2=O
Show InChI InChI=1S/C9H8N2O/c10-8-3-1-2-7-6(8)4-5-11-9(7)12/h1-5H,10H2,(H,11,12)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 250n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of calf thymus PARP-1


Bioorg Med Chem 21: 5218-27 (2013)


Article DOI: 10.1016/j.bmc.2013.06.031
BindingDB Entry DOI: 10.7270/Q2BP047D
More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 2 (PARP2)


(Mus musculus (Mouse))
BDBM50438600
PNG
(CHEMBL2414048)
Show SMILES Cc1cc2c(N)cccc2c(=O)[nH]1
Show InChI InChI=1S/C10H10N2O/c1-6-5-8-7(10(13)12-6)3-2-4-9(8)11/h2-5H,11H2,1H3,(H,12,13)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 260n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of mouse PARP-2


Bioorg Med Chem 21: 5218-27 (2013)


Article DOI: 10.1016/j.bmc.2013.06.031
BindingDB Entry DOI: 10.7270/Q2BP047D
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM27503
PNG
(5-AIQ | 5-amino-1,2-dihydroisoquinolin-1-one | 5-a...)
Show SMILES Nc1cccc2c1cc[nH]c2=O
Show InChI InChI=1S/C9H8N2O/c10-8-3-1-2-7-6(8)4-5-11-9(7)12/h1-5H,10H2,(H,11,12)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 300n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of PARP-1 (unknown origin) in broken nuclear preparation


Bioorg Med Chem 21: 5218-27 (2013)


Article DOI: 10.1016/j.bmc.2013.06.031
BindingDB Entry DOI: 10.7270/Q2BP047D
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50438608
PNG
(CHEMBL2414049)
Show SMILES CCCCCc1cc2c(N)cccc2c(=O)[nH]1
Show InChI InChI=1S/C14H18N2O/c1-2-3-4-6-10-9-12-11(14(17)16-10)7-5-8-13(12)15/h5,7-9H,2-4,6,15H2,1H3,(H,16,17)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 320n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human PARP-1 assessed as synthesis of [3H]-ADP-ribose polymers from [3H]-NAD+ by scintillation proximity assay


Bioorg Med Chem 21: 5218-27 (2013)


Article DOI: 10.1016/j.bmc.2013.06.031
BindingDB Entry DOI: 10.7270/Q2BP047D
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50438605
PNG
(CHEMBL2414042)
Show SMILES Nc1cccc2c1cc([nH]c2=O)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C16H11F3N2O/c17-16(18,19)10-6-4-9(5-7-10)14-8-12-11(15(22)21-14)2-1-3-13(12)20/h1-8H,20H2,(H,21,22)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 330n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human PARP-1 assessed as synthesis of [3H]-ADP-ribose polymers from [3H]-NAD+ by scintillation proximity assay


Bioorg Med Chem 21: 5218-27 (2013)


Article DOI: 10.1016/j.bmc.2013.06.031
BindingDB Entry DOI: 10.7270/Q2BP047D
More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 2 (PARP2)


(Mus musculus (Mouse))
BDBM50438604
PNG
(CHEMBL2414043)
Show SMILES Nc1cccc2c1cc([nH]c2=O)-c1ccccc1
Show InChI InChI=1S/C15H12N2O/c16-13-8-4-7-11-12(13)9-14(17-15(11)18)10-5-2-1-3-6-10/h1-9H,16H2,(H,17,18)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 480n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of mouse PARP-2


Bioorg Med Chem 21: 5218-27 (2013)


Article DOI: 10.1016/j.bmc.2013.06.031
BindingDB Entry DOI: 10.7270/Q2BP047D
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50438599
PNG
(CHEMBL2414051)
Show SMILES CCc1cc2c(N)cccc2c(=O)[nH]1
Show InChI InChI=1S/C11H12N2O/c1-2-7-6-9-8(11(14)13-7)4-3-5-10(9)12/h3-6H,2,12H2,1H3,(H,13,14)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 490n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human PARP-1 assessed as synthesis of [3H]-ADP-ribose polymers from [3H]-NAD+ by scintillation proximity assay


Bioorg Med Chem 21: 5218-27 (2013)


Article DOI: 10.1016/j.bmc.2013.06.031
BindingDB Entry DOI: 10.7270/Q2BP047D
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50438601
PNG
(CHEMBL2414046)
Show SMILES Nc1cccc2c1cc([nH]c2=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H11ClN2O/c16-10-6-4-9(5-7-10)14-8-12-11(15(19)18-14)2-1-3-13(12)17/h1-8H,17H2,(H,18,19)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 570n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human PARP-1 assessed as synthesis of [3H]-ADP-ribose polymers from [3H]-NAD+ by scintillation proximity assay


Bioorg Med Chem 21: 5218-27 (2013)


Article DOI: 10.1016/j.bmc.2013.06.031
BindingDB Entry DOI: 10.7270/Q2BP047D
More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 2 (PARP2)


(Mus musculus (Mouse))
BDBM50438602
PNG
(CHEMBL2414045)
Show SMILES COc1ccc(cc1)-c1cc2c(N)cccc2c(=O)[nH]1
Show InChI InChI=1S/C16H14N2O2/c1-20-11-7-5-10(6-8-11)15-9-13-12(16(19)18-15)3-2-4-14(13)17/h2-9H,17H2,1H3,(H,18,19)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 730n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of mouse PARP-2


Bioorg Med Chem 21: 5218-27 (2013)


Article DOI: 10.1016/j.bmc.2013.06.031
BindingDB Entry DOI: 10.7270/Q2BP047D
More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 2 (PARP2)


(Mus musculus (Mouse))
BDBM50438599
PNG
(CHEMBL2414051)
Show SMILES CCc1cc2c(N)cccc2c(=O)[nH]1
Show InChI InChI=1S/C11H12N2O/c1-2-7-6-9-8(11(14)13-7)4-3-5-10(9)12/h3-6H,2,12H2,1H3,(H,13,14)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 830n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of mouse PARP-2


Bioorg Med Chem 21: 5218-27 (2013)


Article DOI: 10.1016/j.bmc.2013.06.031
BindingDB Entry DOI: 10.7270/Q2BP047D
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50438603
PNG
(CHEMBL2414044)
Show SMILES Cc1ccc(cc1)-c1cc2c(N)cccc2c(=O)[nH]1
Show InChI InChI=1S/C16H14N2O/c1-10-5-7-11(8-6-10)15-9-13-12(16(19)18-15)3-2-4-14(13)17/h2-9H,17H2,1H3,(H,18,19)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 880n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human PARP-1 assessed as synthesis of [3H]-ADP-ribose polymers from [3H]-NAD+ by scintillation proximity assay


Bioorg Med Chem 21: 5218-27 (2013)


Article DOI: 10.1016/j.bmc.2013.06.031
BindingDB Entry DOI: 10.7270/Q2BP047D
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50438602
PNG
(CHEMBL2414045)
Show SMILES COc1ccc(cc1)-c1cc2c(N)cccc2c(=O)[nH]1
Show InChI InChI=1S/C16H14N2O2/c1-20-11-7-5-10(6-8-11)15-9-13-12(16(19)18-15)3-2-4-14(13)17/h2-9H,17H2,1H3,(H,18,19)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 900n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human PARP-1 assessed as synthesis of [3H]-ADP-ribose polymers from [3H]-NAD+ by scintillation proximity assay


Bioorg Med Chem 21: 5218-27 (2013)


Article DOI: 10.1016/j.bmc.2013.06.031
BindingDB Entry DOI: 10.7270/Q2BP047D
More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 2 (PARP2)


(Mus musculus (Mouse))
BDBM27503
PNG
(5-AIQ | 5-amino-1,2-dihydroisoquinolin-1-one | 5-a...)
Show SMILES Nc1cccc2c1cc[nH]c2=O
Show InChI InChI=1S/C9H8N2O/c10-8-3-1-2-7-6(8)4-5-11-9(7)12/h1-5H,10H2,(H,11,12)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.05E+3n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of mouse PARP-2


Bioorg Med Chem 21: 5218-27 (2013)


Article DOI: 10.1016/j.bmc.2013.06.031
BindingDB Entry DOI: 10.7270/Q2BP047D
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50438604
PNG
(CHEMBL2414043)
Show SMILES Nc1cccc2c1cc([nH]c2=O)-c1ccccc1
Show InChI InChI=1S/C15H12N2O/c16-13-8-4-7-11-12(13)9-14(17-15(11)18)10-5-2-1-3-6-10/h1-9H,16H2,(H,17,18)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 1.07E+3n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human PARP-1 assessed as synthesis of [3H]-ADP-ribose polymers from [3H]-NAD+ by scintillation proximity assay


Bioorg Med Chem 21: 5218-27 (2013)


Article DOI: 10.1016/j.bmc.2013.06.031
BindingDB Entry DOI: 10.7270/Q2BP047D
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50438606
PNG
(CHEMBL2414052)
Show SMILES CC(C)Cc1cc2c(N)cccc2c(=O)[nH]1
Show InChI InChI=1S/C13H16N2O/c1-8(2)6-9-7-11-10(13(16)15-9)4-3-5-12(11)14/h3-5,7-8H,6,14H2,1-2H3,(H,15,16)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.17E+3n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human PARP-1 assessed as synthesis of [3H]-ADP-ribose polymers from [3H]-NAD+ by scintillation proximity assay


Bioorg Med Chem 21: 5218-27 (2013)


Article DOI: 10.1016/j.bmc.2013.06.031
BindingDB Entry DOI: 10.7270/Q2BP047D
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM27503
PNG
(5-AIQ | 5-amino-1,2-dihydroisoquinolin-1-one | 5-a...)
Show SMILES Nc1cccc2c1cc[nH]c2=O
Show InChI InChI=1S/C9H8N2O/c10-8-3-1-2-7-6(8)4-5-11-9(7)12/h1-5H,10H2,(H,11,12)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human PARP-1 assessed as synthesis of [3H]-ADP-ribose polymers from [3H]-NAD+ by scintillation proximity assay


Bioorg Med Chem 21: 5218-27 (2013)


Article DOI: 10.1016/j.bmc.2013.06.031
BindingDB Entry DOI: 10.7270/Q2BP047D
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50438607
PNG
(CHEMBL2414050)
Show SMILES Nc1cccc2c1cc(Cc1ccccc1)[nH]c2=O
Show InChI InChI=1S/C16H14N2O/c17-15-8-4-7-13-14(15)10-12(18-16(13)19)9-11-5-2-1-3-6-11/h1-8,10H,9,17H2,(H,18,19)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.14E+3n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human PARP-1 assessed as synthesis of [3H]-ADP-ribose polymers from [3H]-NAD+ by scintillation proximity assay


Bioorg Med Chem 21: 5218-27 (2013)


Article DOI: 10.1016/j.bmc.2013.06.031
BindingDB Entry DOI: 10.7270/Q2BP047D
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50438609
PNG
(CHEMBL2414047)
Show SMILES Nc1cccc2c1cc([nH]c2=O)-c1cccs1
Show InChI InChI=1S/C13H10N2OS/c14-10-4-1-3-8-9(10)7-11(15-13(8)16)12-5-2-6-17-12/h1-7H,14H2,(H,15,16)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.61E+3n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human PARP-1 assessed as synthesis of [3H]-ADP-ribose polymers from [3H]-NAD+ by scintillation proximity assay


Bioorg Med Chem 21: 5218-27 (2013)


Article DOI: 10.1016/j.bmc.2013.06.031
BindingDB Entry DOI: 10.7270/Q2BP047D
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%