Found 29 hits Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM27135' Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM27135
(2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazo...)Show InChI InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m1/s1 | PDB MMDB
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| 5 | -46.9 | n/a | n/a | n/a | n/a | n/a | 8.0 | 22 |
Abbott Laboratories
| Assay Description PARP assays utilizing SPA bead-based detection were carried out in 96-well plates. After reaction was terminated, the reaction mixtures were transfer... |
J Med Chem 52: 514-23 (2009)
Article DOI: 10.1021/jm801171j BindingDB Entry DOI: 10.7270/Q2DN43CK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM27135
(2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazo...)Show InChI InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m1/s1 | PDB MMDB
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| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of PARP1 by scintillation counting |
J Med Chem 52: 6803-13 (2009)
Article DOI: 10.1021/jm900697r BindingDB Entry DOI: 10.7270/Q2DN4548 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM27135
(2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazo...)Show InChI InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m1/s1 | PDB MMDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of PARP1 (unknown origin) |
Bioorg Med Chem Lett 26: 4127-32 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.045 BindingDB Entry DOI: 10.7270/Q2DZ0CT9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM27135
(2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazo...)Show InChI InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m1/s1 | PDB MMDB
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| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of PARP-1 (unknown origin) after 1 hr in presence of NAD+/biotinylated NAD+/slDNA by ELISA |
Bioorg Med Chem 24: 4731-4740 (2016)
Article DOI: 10.1016/j.bmc.2016.08.016 BindingDB Entry DOI: 10.7270/Q2WS8XRP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM27135
(2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazo...)Show InChI InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m1/s1 | PDB MMDB
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| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description Inhibition of human full-length N-terminal GST-tagged PARP1 expressed in baculovirus infected Sf9 insect cells using histone as substrate measured af... |
J Med Chem 62: 5330-5357 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01709 BindingDB Entry DOI: 10.7270/Q2T156WF |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM27135
(2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazo...)Show InChI InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m1/s1 | PDB MMDB
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| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description Inhibition of human full-length N-terminal GST-tagged PARP1 expressed in baculovirus infected Sf9 insect cells using histone as substrate measured af... |
J Med Chem 62: 5330-5357 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01709 BindingDB Entry DOI: 10.7270/Q2T156WF |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM27135
(2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazo...)Show InChI InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m1/s1 | PDB MMDB
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| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Health& Science University
Curated by ChEMBL
| Assay Description Inhibition of full length recombinant human His6-tagged PARP1 expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by biotinylat... |
J Med Chem 60: 1262-1271 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00990 BindingDB Entry DOI: 10.7270/Q28054VV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM27135
(2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazo...)Show InChI InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m1/s1 | PDB MMDB
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| n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
BioMarin Pharmaceutical Inc.
Curated by ChEMBL
| Assay Description Inhibition of human PARP1 using [3H]NAD as substrate after 1 min by microplate scintillation counting analysis |
J Med Chem 59: 335-57 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01498 BindingDB Entry DOI: 10.7270/Q2K35WJR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM27135
(2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazo...)Show InChI InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m1/s1 | PDB MMDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Malaya
Curated by ChEMBL
| Assay Description Inhibition of PARP-1 (unknown origin) assessed as incorporation of biotinylated poly (ADP-ribose) onto histone protein after 60 mins by TACS-Sapphire... |
Bioorg Med Chem 23: 4669-80 (2015)
Article DOI: 10.1016/j.bmc.2015.05.051 BindingDB Entry DOI: 10.7270/Q2S75J2K |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM27135
(2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazo...)Show InChI InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m1/s1 | PDB MMDB
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description Inhibition of human PARP1 expressed in Escherichia coli using biotinylated histone H1 as substrate measured in presence of [3H]NAD+ by topcount scint... |
J Med Chem 62: 5330-5357 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01709 BindingDB Entry DOI: 10.7270/Q2T156WF |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM27135
(2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazo...)Show InChI InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m1/s1 | PDB MMDB
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| n/a | n/a | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Medical Sciences& Peking Union Medical College
Curated by ChEMBL
| Assay Description Inhibition of recombinant human PARP1 expressed in Escherichia coli BL21(DE3) using histone as substrate measured after 1 hr in presence of biotinyla... |
Eur J Med Chem 132: 26-41 (2017)
Article DOI: 10.1016/j.ejmech.2017.03.013 BindingDB Entry DOI: 10.7270/Q2S184XW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM27135
(2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazo...)Show InChI InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m1/s1 | PDB MMDB
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| n/a | n/a | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Inhibition of recombinant human GST-fused PARP-1 expressed in Escherichia coli after 30 mins by fluorescence assay |
Bioorg Med Chem 22: 1089-103 (2014)
Article DOI: 10.1016/j.bmc.2013.12.031 BindingDB Entry DOI: 10.7270/Q2JS9RX4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM27135
(2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazo...)Show InChI InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m1/s1 | PDB MMDB
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
St. John's University
Curated by ChEMBL
| Assay Description Inhibition of PARP-1 (unknown origin) using biotinylated NAD+ as substrate after 60 mins by spectrophotometry |
J Med Chem 57: 5579-601 (2014)
Article DOI: 10.1021/jm5002502 BindingDB Entry DOI: 10.7270/Q28C9XSS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM27135
(2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazo...)Show InChI InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m1/s1 | PDB MMDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A.
Curated by ChEMBL
| Assay Description Inhibition of GST-tagged recombinant human PARP-1 expressed in Escherichia coli after 30 mins by fluorescence-based assay |
Bioorg Med Chem Lett 24: 462-6 (2014)
Article DOI: 10.1016/j.bmcl.2013.12.048 BindingDB Entry DOI: 10.7270/Q26H4JV0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM27135
(2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazo...)Show InChI InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m1/s1 | PDB MMDB
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| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description Inhibition of human PARP1 catalytic activity after 10 mins by ELISA |
Bioorg Med Chem Lett 23: 4501-5 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.055 BindingDB Entry DOI: 10.7270/Q2TT4SC9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM27135
(2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazo...)Show InChI InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m1/s1 | PDB MMDB
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| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of PARP1 (unknown origin) |
Bioorg Med Chem Lett 23: 1993-6 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.032 BindingDB Entry DOI: 10.7270/Q2736S9N |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM27135
(2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazo...)Show InChI InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m1/s1 | PDB MMDB
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| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Health& Science University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human His6-tagged PARP1 ADP-ribosyltransferase domain expressed in Escherichia coli BL21(DE3) preincubated for 15 mins foll... |
J Med Chem 60: 1262-1271 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00990 BindingDB Entry DOI: 10.7270/Q28054VV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM27135
(2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazo...)Show InChI InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m1/s1 | PDB MMDB
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| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of recombinant human PARP1 using histone as substrate after 1 hr in presence of NAD+ by ELISA |
Eur J Med Chem 145: 389-403 (2018)
Article DOI: 10.1016/j.ejmech.2018.01.018 BindingDB Entry DOI: 10.7270/Q2PG1VDR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM27135
(2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazo...)Show InChI InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m1/s1 | PDB MMDB
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| n/a | n/a | 132 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Medical Sciences& Peking Union Medical College
Curated by ChEMBL
| Assay Description Inhibition of recombinant human PARP1 expressed in Escherichia coli BL21(DE3) using sheared DNA as substrate measured after 1 hr in presence of NAD+ |
Eur J Med Chem 132: 26-41 (2017)
Article DOI: 10.1016/j.ejmech.2017.03.013 BindingDB Entry DOI: 10.7270/Q2S184XW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM27135
(2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazo...)Show InChI InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m1/s1 | PDB MMDB
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| n/a | n/a | 354 | n/a | n/a | n/a | n/a | n/a | n/a |
Health& Science University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human His6-tagged PARP1 C-3-zinc finger domain expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by... |
J Med Chem 60: 1262-1271 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00990 BindingDB Entry DOI: 10.7270/Q28054VV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM27135
(2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazo...)Show InChI InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m1/s1 | PDB MMDB
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| PDB Article PubMed
| n/a | n/a | 354 | n/a | n/a | n/a | n/a | n/a | n/a |
Health& Science University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human His6-tagged PARP1 C-3-zinc finger domain expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by... |
J Med Chem 60: 1262-1271 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00990 BindingDB Entry DOI: 10.7270/Q28054VV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM27135
(2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazo...)Show InChI InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 355 | n/a | n/a | n/a | n/a | n/a | n/a |
Health& Science University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human His6-tagged PARP1 C-3-zinc finger domain expressed in Escherichia coli BL21(DE3) preincubated for 15 mins followed by... |
J Med Chem 60: 1262-1271 (2017)
Article DOI: 10.1021/acs.jmedchem.6b00990 BindingDB Entry DOI: 10.7270/Q28054VV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM27135
(2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazo...)Show InChI InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 1.34E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of PARP1 in human A549 cells assessed as potentiation of TMZ-mediated cytotoxicity by measuring TMZ IC50 for growth inhibition at 0.5 uM b... |
Bioorg Med Chem Lett 26: 4127-32 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.045 BindingDB Entry DOI: 10.7270/Q2DZ0CT9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM27135
(2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazo...)Show InChI InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 5.90 | n/a | n/a | n/a | n/a |
BioMarin Pharmaceutical Inc.
Curated by ChEMBL
| Assay Description Inhibition of PARP in human LoVo cells assessed as inhibition of poly(ADP)-ribose polymerization for 30 mins by fluorescence assay |
J Med Chem 59: 335-57 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01498 BindingDB Entry DOI: 10.7270/Q2K35WJR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM27135
(2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazo...)Show InChI InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences Srl
Curated by ChEMBL
| Assay Description Binding affinity to recombinant human HisGST-tagged PARP-1 catalytic domain by surface plasmon resonance analysis |
J Med Chem 58: 6875-98 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00680 BindingDB Entry DOI: 10.7270/Q2JD4ZKF |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM27135
(2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazo...)Show InChI InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 1.60E+5 | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description Inhibition of PARP1 in human Jurkat cells assessed as reduction of cell viability after 96 hrs by MTS assay |
Bioorg Med Chem Lett 23: 4501-5 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.055 BindingDB Entry DOI: 10.7270/Q2TT4SC9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM27135
(2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazo...)Show InChI InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description Inhibition of PARP1 in human Jurkat cells assessed as reduction of cell viability after 96 hrs by MTS assay in presence of 100 uM of temozolomide |
Bioorg Med Chem Lett 23: 4501-5 (2013)
Article DOI: 10.1016/j.bmcl.2013.06.055 BindingDB Entry DOI: 10.7270/Q2TT4SC9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM27135
(2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazo...)Show InChI InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 400 | n/a | n/a | n/a | n/a |
TBA
| Assay Description Inhibition of human PARP-1 catalytic domain (662 to 1011 residues) expressed in Escherichia coli BL21(DE3) cells incubated for 0.5 hrs by fluorescenc... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c01346 BindingDB Entry DOI: 10.7270/Q2474FGF |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM27135
(2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazo...)Show InChI InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 2 | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibition of PARP1 in human C41 cells after 30 mins by cell-based assay |
J Med Chem 52: 6803-13 (2009)
Article DOI: 10.1021/jm900697r BindingDB Entry DOI: 10.7270/Q2DN4548 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |