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3 similar compounds to monomer 50306253

Compile data set for download or QSAR
Wt: 306.3
BDBM50306272
Wt: 331.3
BDBM50306250
Wt: 307.3
BDBM50306252

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50306272,50306250,50306252   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50306272
PNG
(1-(2-phenylacetyl)-2,3,9,9a-tetrahydro-1H-benzo[de...)
Show SMILES O=C(Cc1ccccc1)N1CCc2cccc3C(=O)NCC1c23
Show InChI InChI=1S/C19H18N2O2/c22-17(11-13-5-2-1-3-6-13)21-10-9-14-7-4-8-15-18(14)16(21)12-20-19(15)23/h1-8,16H,9-12H2,(H,20,23)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8n/an/an/an/an/an/a



IRBM-Merck Research Laboratories Rome

Curated by ChEMBL


Assay Description
Inhibition of human PARP1 by scintillation proximity assay


Bioorg Med Chem Lett 20: 448-52 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.002
BindingDB Entry DOI: 10.7270/Q2GT5N91
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50306250
PNG
(4-(2-oxo-2-(7-oxo-2,3,7,8,9,9a-hexahydro-1H-benzo[...)
Show SMILES O=C(Cc1ccc(cc1)C#N)N1CCc2cccc3C(=O)NCC1c23
Show InChI InChI=1S/C20H17N3O2/c21-11-14-6-4-13(5-7-14)10-18(24)23-9-8-15-2-1-3-16-19(15)17(23)12-22-20(16)25/h1-7,17H,8-10,12H2,(H,22,25)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9n/an/an/an/an/an/a



IRBM-Merck Research Laboratories Rome

Curated by ChEMBL


Assay Description
Inhibition of human PARP1 by scintillation proximity assay


Bioorg Med Chem Lett 20: 448-52 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.002
BindingDB Entry DOI: 10.7270/Q2GT5N91
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50306272
PNG
(1-(2-phenylacetyl)-2,3,9,9a-tetrahydro-1H-benzo[de...)
Show SMILES O=C(Cc1ccccc1)N1CCc2cccc3C(=O)NCC1c23
Show InChI InChI=1S/C19H18N2O2/c22-17(11-13-5-2-1-3-6-13)21-10-9-14-7-4-8-15-18(14)16(21)12-20-19(15)23/h1-8,16H,9-12H2,(H,20,23)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 230n/an/an/an/a



IRBM-Merck Research Laboratories Rome

Curated by ChEMBL


Assay Description
Inhibition of PARP1 in human HeLa cells assessed as inhibition of hydrogen peroxide-induced poly(ADP-ribosyl)ation


Bioorg Med Chem Lett 20: 448-52 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.002
BindingDB Entry DOI: 10.7270/Q2GT5N91
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50306250
PNG
(4-(2-oxo-2-(7-oxo-2,3,7,8,9,9a-hexahydro-1H-benzo[...)
Show SMILES O=C(Cc1ccc(cc1)C#N)N1CCc2cccc3C(=O)NCC1c23
Show InChI InChI=1S/C20H17N3O2/c21-11-14-6-4-13(5-7-14)10-18(24)23-9-8-15-2-1-3-16-19(15)17(23)12-22-20(16)25/h1-7,17H,8-10,12H2,(H,22,25)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 200n/an/an/an/a



IRBM-Merck Research Laboratories Rome

Curated by ChEMBL


Assay Description
Inhibition of PARP1 in human HeLa cells assessed as inhibition of hydrogen peroxide-induced poly(ADP-ribosyl)ation


Bioorg Med Chem Lett 20: 448-52 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.002
BindingDB Entry DOI: 10.7270/Q2GT5N91
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50306252
PNG
(1-(2-(pyridin-4-yl)acetyl)-2,3,9,9a-tetrahydro-1H-...)
Show SMILES O=C(Cc1ccncc1)N1CCc2cccc3C(=O)NCC1c23
Show InChI InChI=1S/C18H17N3O2/c22-16(10-12-4-7-19-8-5-12)21-9-6-13-2-1-3-14-17(13)15(21)11-20-18(14)23/h1-5,7-8,15H,6,9-11H2,(H,20,23)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 4.60E+3n/an/an/an/a



IRBM-Merck Research Laboratories Rome

Curated by ChEMBL


Assay Description
Inhibition of PARP1 in human HeLa cells assessed as inhibition of hydrogen peroxide-induced poly(ADP-ribosyl)ation


Bioorg Med Chem Lett 20: 448-52 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.002
BindingDB Entry DOI: 10.7270/Q2GT5N91
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50306252
PNG
(1-(2-(pyridin-4-yl)acetyl)-2,3,9,9a-tetrahydro-1H-...)
Show SMILES O=C(Cc1ccncc1)N1CCc2cccc3C(=O)NCC1c23
Show InChI InChI=1S/C18H17N3O2/c22-16(10-12-4-7-19-8-5-12)21-9-6-13-2-1-3-14-17(13)15(21)11-20-18(14)23/h1-5,7-8,15H,6,9-11H2,(H,20,23)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



IRBM-Merck Research Laboratories Rome

Curated by ChEMBL


Assay Description
Inhibition of human PARP1 by scintillation proximity assay


Bioorg Med Chem Lett 20: 448-52 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.002
BindingDB Entry DOI: 10.7270/Q2GT5N91
More data for this
Ligand-Target Pair