Found 89 hits of Enzyme Inhibition Constant Data 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)) | BDBM27566
(4-({3-[(4-cyclopropanecarbonylpiperazin-1-yl)carbo...)Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)C(=O)C1CC1 Show InChI InChI=1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30) | PDB
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Article
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| n/a | n/a | 6 | 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)) | BDBM50438239
(CHEMBL2407975)Show SMILES CCNC(=O)c1ccc(cc1)N1CCN(Cc2cc(C)c3OC(C)C(=O)Nc3c2)CC1 Show InChI InChI=1S/C24H30N4O3/c1-4-25-24(30)19-5-7-20(8-6-19)28-11-9-27(10-12-28)15-18-13-16(2)22-21(14-18)26-23(29)17(3)31-22/h5-8,13-14,17H,4,9-12,15H2,1-3H3,(H,25,30)(H,26,29) | PDB
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antibodypedia
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| CHEMBL
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PC sid
UniChem
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| n/a | n/a | 6 | 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 | |
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
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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)) | BDBM50438240
(CHEMBL2407974)Show SMILES CNC(=O)c1ccc(cc1)N1CCN(Cc2cc(C)c3OC(C)C(=O)Nc3c2)CC1 Show InChI InChI=1S/C23H28N4O3/c1-15-12-17(13-20-21(15)30-16(2)22(28)25-20)14-26-8-10-27(11-9-26)19-6-4-18(5-7-19)23(29)24-3/h4-7,12-13,16H,8-11,14H2,1-3H3,(H,24,29)(H,25,28) | PDB
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| n/a | n/a | 17 | 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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438241
(CHEMBL2407973)Show SMILES CCNC(=O)c1ccc(N2CCN(Cc3ccc4OC(C)C(=O)Nc4c3)CC2)c(Cl)c1 Show InChI InChI=1S/C23H27ClN4O3/c1-3-25-23(30)17-5-6-20(18(24)13-17)28-10-8-27(9-11-28)14-16-4-7-21-19(12-16)26-22(29)15(2)31-21/h4-7,12-13,15H,3,8-11,14H2,1-2H3,(H,25,30)(H,26,29) | PDB
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| n/a | n/a | 18 | 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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438242
(CHEMBL2407972)Show SMILES CCNC(=O)c1ccc(cc1)N1CCN(Cc2ccc3OC(C)C(=O)Nc3c2)CC1 Show InChI InChI=1S/C23H28N4O3/c1-3-24-23(29)18-5-7-19(8-6-18)27-12-10-26(11-13-27)15-17-4-9-21-20(14-17)25-22(28)16(2)30-21/h4-9,14,16H,3,10-13,15H2,1-2H3,(H,24,29)(H,25,28) | PDB
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PC cid
PC sid
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| n/a | n/a | 22 | 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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438263
(CHEMBL2407978)Show SMILES CCNC(=O)c1ccc(cc1)N1CCN(Cc2cc3NC(=O)C(C)Oc3c(OC)c2)CC1 Show InChI InChI=1S/C24H30N4O4/c1-4-25-24(30)18-5-7-19(8-6-18)28-11-9-27(10-12-28)15-17-13-20-22(21(14-17)31-3)32-16(2)23(29)26-20/h5-8,13-14,16H,4,9-12,15H2,1-3H3,(H,25,30)(H,26,29) | PDB
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antibodypedia
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| CHEMBL
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PC sid
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| Article
PubMed
| n/a | n/a | 23 | 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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438243
(CHEMBL2407971)Show SMILES CNC(=O)c1ccc(cc1)N1CCN(Cc2ccc3OC(C)C(=O)Nc3c2)CC1 Show InChI InChI=1S/C22H26N4O3/c1-15-21(27)24-19-13-16(3-8-20(19)29-15)14-25-9-11-26(12-10-25)18-6-4-17(5-7-18)22(28)23-2/h3-8,13,15H,9-12,14H2,1-2H3,(H,23,28)(H,24,27) | PDB
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PC sid
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PubMed
| n/a | n/a | 29 | 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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438264
(CHEMBL2407977)Show SMILES CNC(=O)c1ccc(cc1)N1CCN(Cc2cc3NC(=O)C(C)Oc3c(OC)c2)CC1 Show InChI InChI=1S/C23H28N4O4/c1-15-22(28)25-19-12-16(13-20(30-3)21(19)31-15)14-26-8-10-27(11-9-26)18-6-4-17(5-7-18)23(29)24-2/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,24,29)(H,25,28) | PDB
MMDB
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B.MOAD
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 29 | 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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438262
(CHEMBL2407979)Show SMILES COc1cc(CN2CCN(CC2)c2ccc(cc2)C(=O)NC2CC2)cc2NC(=O)C(C)Oc12 Show InChI InChI=1S/C25H30N4O4/c1-16-24(30)27-21-13-17(14-22(32-2)23(21)33-16)15-28-9-11-29(12-10-28)20-7-3-18(4-8-20)25(31)26-19-5-6-19/h3-4,7-8,13-14,16,19H,5-6,9-12,15H2,1-2H3,(H,26,31)(H,27,30) | PDB
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antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 30 | 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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438234
(CHEMBL2407987)Show SMILES CCNC(=O)c1ccc(N2CCN(Cc3cc4NC(=O)C(C)Oc4c(OC)c3)CC2)c(C)c1 Show InChI InChI=1S/C25H32N4O4/c1-5-26-25(31)19-6-7-21(16(2)12-19)29-10-8-28(9-11-29)15-18-13-20-23(22(14-18)32-4)33-17(3)24(30)27-20/h6-7,12-14,17H,5,8-11,15H2,1-4H3,(H,26,31)(H,27,30) | PDB
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B.MOAD
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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PubMed
| n/a | n/a | 32 | 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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438265
(CHEMBL2407976)Show SMILES CC1Oc2c(C)cc(CN3CCN(CC3)c3ccc(cc3)C(=O)NC3CC3)cc2NC1=O Show InChI InChI=1S/C25H30N4O3/c1-16-13-18(14-22-23(16)32-17(2)24(30)27-22)15-28-9-11-29(12-10-28)21-7-3-19(4-8-21)25(31)26-20-5-6-20/h3-4,7-8,13-14,17,20H,5-6,9-12,15H2,1-2H3,(H,26,31)(H,27,30) | PDB
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B.MOAD
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 33 | 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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50316226
((S)-2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-car...)Show SMILES NC(=O)c1cccc2cn(nc12)-c1ccc(cc1)[C@@H]1CCCNC1 |r| Show InChI InChI=1S/C19H20N4O/c20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24)/t14-/m1/s1 | PDB
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| PDB
Article
PubMed
| n/a | n/a | 35 | 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)) | BDBM50438232
(CHEMBL2407989)Show SMILES CCOc1cc(CN2CCN(CC2)c2ccc(cc2C)C(=O)NC)cc2NC(=O)C(C)Oc12 Show InChI InChI=1S/C25H32N4O4/c1-5-32-22-14-18(13-20-23(22)33-17(3)24(30)27-20)15-28-8-10-29(11-9-28)21-7-6-19(12-16(21)2)25(31)26-4/h6-7,12-14,17H,5,8-11,15H2,1-4H3,(H,26,31)(H,27,30) | PDB
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 35 | 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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438235
(CHEMBL2407986)Show SMILES CNC(=O)c1ccc(N2CCN(Cc3cc4NC(=O)C(C)Oc4c(OC)c3)CC2)c(C)c1 Show InChI InChI=1S/C24H30N4O4/c1-15-11-18(24(30)25-3)5-6-20(15)28-9-7-27(8-10-28)14-17-12-19-22(21(13-17)31-4)32-16(2)23(29)26-19/h5-6,11-13,16H,7-10,14H2,1-4H3,(H,25,30)(H,26,29) | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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PubMed
| n/a | n/a | 36 | 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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438238
(CHEMBL2407983)Show SMILES CNC(=O)c1ccc(N2CCN(Cc3cc(C)c4OC(C)C(=O)Nc4c3)CC2)c(C)c1 Show InChI InChI=1S/C24H30N4O3/c1-15-12-19(24(30)25-4)5-6-21(15)28-9-7-27(8-10-28)14-18-11-16(2)22-20(13-18)26-23(29)17(3)31-22/h5-6,11-13,17H,7-10,14H2,1-4H3,(H,25,30)(H,26,29) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 38 | 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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438230
(CHEMBL2407970)Show SMILES CCOc1cc(CN2CCN(CC2)c2ccc(cc2C)C(=O)NC2CC2)cc2NC(=O)C(C)Oc12 Show InChI InChI=1S/C27H34N4O4/c1-4-34-24-15-19(14-22-25(24)35-18(3)26(32)29-22)16-30-9-11-31(12-10-30)23-8-5-20(13-17(23)2)27(33)28-21-6-7-21/h5,8,13-15,18,21H,4,6-7,9-12,16H2,1-3H3,(H,28,33)(H,29,32) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 41 | 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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438261
(CHEMBL2407980)Show SMILES CNC(=O)c1ccc(N2CCN(Cc3cc(C)c4OC(C)C(=O)Nc4c3)CC2)c(Cl)c1 Show InChI InChI=1S/C23H27ClN4O3/c1-14-10-16(11-19-21(14)31-15(2)22(29)26-19)13-27-6-8-28(9-7-27)20-5-4-17(12-18(20)24)23(30)25-3/h4-5,10-12,15H,6-9,13H2,1-3H3,(H,25,30)(H,26,29) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 49 | 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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438236
(CHEMBL2407985)Show SMILES CC1Oc2c(C)cc(CN3CCN(CC3)c3ccc(cc3C)C(=O)NC3CC3)cc2NC1=O Show InChI InChI=1S/C26H32N4O3/c1-16-13-20(26(32)27-21-5-6-21)4-7-23(16)30-10-8-29(9-11-30)15-19-12-17(2)24-22(14-19)28-25(31)18(3)33-24/h4,7,12-14,18,21H,5-6,8-11,15H2,1-3H3,(H,27,32)(H,28,31) | PDB
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PubMed
| n/a | n/a | 52 | 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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438231
(CHEMBL2407969)Show SMILES CCNC(=O)c1ccc(N2CCN(Cc3cc4NC(=O)C(C)Oc4c(OCC)c3)CC2)c(C)c1 Show InChI InChI=1S/C26H34N4O4/c1-5-27-26(32)20-7-8-22(17(3)13-20)30-11-9-29(10-12-30)16-19-14-21-24(23(15-19)33-6-2)34-18(4)25(31)28-21/h7-8,13-15,18H,5-6,9-12,16H2,1-4H3,(H,27,32)(H,28,31) | PDB
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antibodypedia
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UniChem
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| Article
PubMed
| n/a | n/a | 55 | 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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438237
(CHEMBL2407984)Show SMILES CCNC(=O)c1ccc(N2CCN(Cc3cc(C)c4OC(C)C(=O)Nc4c3)CC2)c(C)c1 Show InChI InChI=1S/C25H32N4O3/c1-5-26-25(31)20-6-7-22(16(2)13-20)29-10-8-28(9-11-29)15-19-12-17(3)23-21(14-19)27-24(30)18(4)32-23/h6-7,12-14,18H,5,8-11,15H2,1-4H3,(H,26,31)(H,27,30) | PDB
MMDB
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antibodypedia
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| Article
PubMed
| n/a | n/a | 56 | 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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438259
(CHEMBL2407982)Show SMILES CC1Oc2c(C)cc(CN3CCN(CC3)c3ccc(cc3Cl)C(=O)NC3CC3)cc2NC1=O Show InChI InChI=1S/C25H29ClN4O3/c1-15-11-17(12-21-23(15)33-16(2)24(31)28-21)14-29-7-9-30(10-8-29)22-6-3-18(13-20(22)26)25(32)27-19-4-5-19/h3,6,11-13,16,19H,4-5,7-10,14H2,1-2H3,(H,27,32)(H,28,31) | PDB
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antibodypedia
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PubMed
| n/a | n/a | 76 | 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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438260
(CHEMBL2407981)Show SMILES CCNC(=O)c1ccc(N2CCN(Cc3cc(C)c4OC(C)C(=O)Nc4c3)CC2)c(Cl)c1 Show InChI InChI=1S/C24H29ClN4O3/c1-4-26-24(31)18-5-6-21(19(25)13-18)29-9-7-28(8-10-29)14-17-11-15(2)22-20(12-17)27-23(30)16(3)32-22/h5-6,11-13,16H,4,7-10,14H2,1-3H3,(H,26,31)(H,27,30) | PDB
MMDB
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antibodypedia
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| Article
PubMed
| n/a | n/a | 89 | 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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438233
(CHEMBL2407988)Show SMILES COc1cc(CN2CCN(CC2)c2ccc(cc2C)C(=O)NC2CC2)cc2NC(=O)C(C)Oc12 Show InChI InChI=1S/C26H32N4O4/c1-16-12-19(26(32)27-20-5-6-20)4-7-22(16)30-10-8-29(9-11-30)15-18-13-21-24(23(14-18)33-3)34-17(2)25(31)28-21/h4,7,12-14,17,20H,5-6,8-11,15H2,1-3H3,(H,27,32)(H,28,31) | PDB
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UniChem
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| Article
PubMed
| n/a | n/a | 147 | 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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438242
(CHEMBL2407972)Show SMILES CCNC(=O)c1ccc(cc1)N1CCN(Cc2ccc3OC(C)C(=O)Nc3c2)CC1 Show InChI InChI=1S/C23H28N4O3/c1-3-24-23(29)18-5-7-19(8-6-18)27-12-10-26(11-13-27)15-17-4-9-21-20(14-17)25-22(28)16(2)30-21/h4-9,14,16H,3,10-13,15H2,1-2H3,(H,24,29)(H,25,28) | PDB
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UniChem
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| Article
PubMed
| n/a | n/a | n/a | n/a | 4.20E+4 | 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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438240
(CHEMBL2407974)Show SMILES CNC(=O)c1ccc(cc1)N1CCN(Cc2cc(C)c3OC(C)C(=O)Nc3c2)CC1 Show InChI InChI=1S/C23H28N4O3/c1-15-12-17(13-20-21(15)30-16(2)22(28)25-20)14-26-8-10-27(11-9-26)19-6-4-18(5-7-19)23(29)24-3/h4-7,12-13,16H,8-11,14H2,1-3H3,(H,24,29)(H,25,28) | PDB
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antibodypedia
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.10E+4 | 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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50316226
((S)-2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-car...)Show SMILES NC(=O)c1cccc2cn(nc12)-c1ccc(cc1)[C@@H]1CCCNC1 |r| Show InChI InChI=1S/C19H20N4O/c20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24)/t14-/m1/s1 | PDB
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PC cid
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| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 3.10E+4 | 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)) | BDBM50438244
(CHEMBL2408002)Show SMILES CC1Oc2ccc(CN3CCC(=CC3)c3ccc(Cl)cc3)cc2NC1=O |c:11| Show InChI InChI=1S/C21H21ClN2O2/c1-14-21(25)23-19-12-15(2-7-20(19)26-14)13-24-10-8-17(9-11-24)16-3-5-18(22)6-4-16/h2-8,12,14H,9-11,13H2,1H3,(H,23,25) | PDB
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| PDB
Article
PubMed
| n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Binding affinity to catalytic domain of human PARP1 after 5 mins by surface plasmon resonance 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)) | BDBM50438246
(CHEMBL2408000)Show InChI InChI=1S/C21H24N2O2/c1-15-21(24)22-19-8-7-16(13-20(19)25-15)14-23-11-9-18(10-12-23)17-5-3-2-4-6-17/h2-8,13,15,18H,9-12,14H2,1H3,(H,22,24) | PDB
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antibodypedia
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Binding affinity to catalytic domain of human PARP1 after 5 mins by surface plasmon resonance 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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438251
(CHEMBL2407995)Show InChI InChI=1S/C17H18N2O2/c1-12-17(20)19-15-9-14(7-8-16(15)21-12)11-18-10-13-5-3-2-4-6-13/h2-9,12,18H,10-11H2,1H3,(H,19,20) | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 5.20E+3 | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Binding affinity to catalytic domain of human PARP1 after 5 mins by surface plasmon resonance 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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438252
(CHEMBL2407994)Show InChI InChI=1S/C16H16N2O2/c19-16-11-20-15-7-6-13(8-14(15)18-16)10-17-9-12-4-2-1-3-5-12/h1-8,17H,9-11H2,(H,18,19) | PDB
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Binding affinity to catalytic domain of human PARP1 after 5 mins by surface plasmon resonance 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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438259
(CHEMBL2407982)Show SMILES CC1Oc2c(C)cc(CN3CCN(CC3)c3ccc(cc3Cl)C(=O)NC3CC3)cc2NC1=O Show InChI InChI=1S/C25H29ClN4O3/c1-15-11-17(12-21-23(15)33-16(2)24(31)28-21)14-29-7-9-30(10-8-29)22-6-3-18(13-20(22)26)25(32)27-19-4-5-19/h3,6,11-13,16,19H,4-5,7-10,14H2,1-2H3,(H,27,32)(H,28,31) | PDB
MMDB
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B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 10 | 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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438263
(CHEMBL2407978)Show SMILES CCNC(=O)c1ccc(cc1)N1CCN(Cc2cc3NC(=O)C(C)Oc3c(OC)c2)CC1 Show InChI InChI=1S/C24H30N4O4/c1-4-25-24(30)18-5-7-19(8-6-18)28-11-9-27(10-12-28)15-17-13-20-22(21(14-17)31-3)32-16(2)23(29)26-20/h5-8,13-14,16H,4,9-12,15H2,1-3H3,(H,25,30)(H,26,29) | PDB
MMDB
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.51E+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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438265
(CHEMBL2407976)Show SMILES CC1Oc2c(C)cc(CN3CCN(CC3)c3ccc(cc3)C(=O)NC3CC3)cc2NC1=O Show InChI InChI=1S/C25H30N4O3/c1-16-13-18(14-22-23(16)32-17(2)24(30)27-22)15-28-9-11-29(12-10-28)21-7-3-19(4-8-21)25(31)26-20-5-6-20/h3-4,7-8,13-14,17,20H,5-6,9-12,15H2,1-2H3,(H,26,31)(H,27,30) | PDB
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B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.00E+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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438238
(CHEMBL2407983)Show SMILES CNC(=O)c1ccc(N2CCN(Cc3cc(C)c4OC(C)C(=O)Nc4c3)CC2)c(C)c1 Show InChI InChI=1S/C24H30N4O3/c1-15-12-19(24(30)25-4)5-6-21(15)28-9-7-27(8-10-28)14-18-11-16(2)22-20(13-18)26-23(29)17(3)31-22/h5-6,11-13,17H,7-10,14H2,1-4H3,(H,25,30)(H,26,29) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 9.00E+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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438239
(CHEMBL2407975)Show SMILES CCNC(=O)c1ccc(cc1)N1CCN(Cc2cc(C)c3OC(C)C(=O)Nc3c2)CC1 Show InChI InChI=1S/C24H30N4O3/c1-4-25-24(30)19-5-7-20(8-6-19)28-11-9-27(10-12-28)15-18-13-16(2)22-21(14-18)26-23(29)17(3)31-22/h5-8,13-14,17H,4,9-12,15H2,1-3H3,(H,25,30)(H,26,29) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 9.00E+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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438262
(CHEMBL2407979)Show SMILES COc1cc(CN2CCN(CC2)c2ccc(cc2)C(=O)NC2CC2)cc2NC(=O)C(C)Oc12 Show InChI InChI=1S/C25H30N4O4/c1-16-24(30)27-21-13-17(14-22(32-2)23(21)33-16)15-28-9-11-29(12-10-28)20-7-3-18(4-8-20)25(31)26-19-5-6-19/h3-4,7-8,13-14,16,19H,5-6,9-12,15H2,1-2H3,(H,26,31)(H,27,30) | PDB
MMDB
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B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.60E+4 | 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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438235
(CHEMBL2407986)Show SMILES CNC(=O)c1ccc(N2CCN(Cc3cc4NC(=O)C(C)Oc4c(OC)c3)CC2)c(C)c1 Show InChI InChI=1S/C24H30N4O4/c1-15-11-18(24(30)25-3)5-6-20(15)28-9-7-27(8-10-28)14-17-12-19-22(21(13-17)31-4)32-16(2)23(29)26-19/h5-6,11-13,16H,7-10,14H2,1-4H3,(H,25,30)(H,26,29) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.00E+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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438233
(CHEMBL2407988)Show SMILES COc1cc(CN2CCN(CC2)c2ccc(cc2C)C(=O)NC2CC2)cc2NC(=O)C(C)Oc12 Show InChI InChI=1S/C26H32N4O4/c1-16-12-19(26(32)27-20-5-6-20)4-7-22(16)30-10-8-29(9-11-30)15-18-13-21-24(23(14-18)33-3)34-17(2)25(31)28-21/h4,7,12-14,17,20H,5-6,8-11,15H2,1-3H3,(H,27,32)(H,28,31) | PDB
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antibodypedia
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 20 | 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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438255
(CHEMBL2407100)Show InChI InChI=1S/C9H7NO3/c11-4-6-1-2-8-7(3-6)10-9(12)5-13-8/h1-4H,5H2,(H,10,12) | PDB
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| Article
PubMed
| n/a | n/a | n/a | 1.70E+5 | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Binding affinity to catalytic domain of human PARP1 after 5 mins by surface plasmon resonance 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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438258
(CHEMBL460153)Show InChI InChI=1S/C8H7NO2/c10-8-5-11-7-4-2-1-3-6(7)9-8/h1-4H,5H2,(H,9,10) | PDB
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| Article
PubMed
| n/a | n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Binding affinity to catalytic domain of human PARP1 after 5 mins by surface plasmon resonance 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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438261
(CHEMBL2407980)Show SMILES CNC(=O)c1ccc(N2CCN(Cc3cc(C)c4OC(C)C(=O)Nc4c3)CC2)c(Cl)c1 Show InChI InChI=1S/C23H27ClN4O3/c1-14-10-16(11-19-21(14)31-15(2)22(29)26-19)13-27-6-8-28(9-7-27)20-5-4-17(12-18(20)24)23(30)25-3/h4-5,10-12,15H,6-9,13H2,1-3H3,(H,25,30)(H,26,29) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.40E+4 | 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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438239
(CHEMBL2407975)Show SMILES CCNC(=O)c1ccc(cc1)N1CCN(Cc2cc(C)c3OC(C)C(=O)Nc3c2)CC1 Show InChI InChI=1S/C24H30N4O3/c1-4-25-24(30)19-5-7-20(8-6-19)28-11-9-27(10-12-28)15-18-13-16(2)22-21(14-18)26-23(29)17(3)31-22/h5-8,13-14,17H,4,9-12,15H2,1-3H3,(H,25,30)(H,26,29) | PDB
MMDB
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 9.40E+4 | 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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438240
(CHEMBL2407974)Show SMILES CNC(=O)c1ccc(cc1)N1CCN(Cc2cc(C)c3OC(C)C(=O)Nc3c2)CC1 Show InChI InChI=1S/C23H28N4O3/c1-15-12-17(13-20-21(15)30-16(2)22(28)25-20)14-26-8-10-27(11-9-26)19-6-4-18(5-7-19)23(29)24-3/h4-7,12-13,16H,8-11,14H2,1-3H3,(H,24,29)(H,25,28) | PDB
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 7.50E+4 | 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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438267
(CHEMBL2408003)Show SMILES CC1Oc2cc(CN3CCC(=CC3)c3ccc(Cl)cc3)ccc2NC1=O |c:10| Show InChI InChI=1S/C21H21ClN2O2/c1-14-21(25)23-19-7-2-15(12-20(19)26-14)13-24-10-8-17(9-11-24)16-3-5-18(22)6-4-16/h2-8,12,14H,9-11,13H2,1H3,(H,23,25) | PDB
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Binding affinity to catalytic domain of human PARP1 after 5 mins by surface plasmon resonance 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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50316226
((S)-2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-car...)Show SMILES NC(=O)c1cccc2cn(nc12)-c1ccc(cc1)[C@@H]1CCCNC1 |r| Show InChI InChI=1S/C19H20N4O/c20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24)/t14-/m1/s1 | PDB
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| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 200 | 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)) | BDBM50438234
(CHEMBL2407987)Show SMILES CCNC(=O)c1ccc(N2CCN(Cc3cc4NC(=O)C(C)Oc4c(OC)c3)CC2)c(C)c1 Show InChI InChI=1S/C25H32N4O4/c1-5-26-25(31)19-6-7-21(16(2)12-19)29-10-8-28(9-11-29)15-18-13-20-23(22(14-18)32-4)33-17(3)24(30)27-20/h6-7,12-14,17H,5,8-11,15H2,1-4H3,(H,26,31)(H,27,30) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 10 | 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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438237
(CHEMBL2407984)Show SMILES CCNC(=O)c1ccc(N2CCN(Cc3cc(C)c4OC(C)C(=O)Nc4c3)CC2)c(C)c1 Show InChI InChI=1S/C25H32N4O3/c1-5-26-25(31)20-6-7-22(16(2)13-20)29-10-8-28(9-11-29)15-19-12-17(3)23-21(14-19)27-24(30)18(4)32-23/h6-7,12-14,18H,5,8-11,15H2,1-4H3,(H,26,31)(H,27,30) | PDB
MMDB
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 9.00E+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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438230
(CHEMBL2407970)Show SMILES CCOc1cc(CN2CCN(CC2)c2ccc(cc2C)C(=O)NC2CC2)cc2NC(=O)C(C)Oc12 Show InChI InChI=1S/C27H34N4O4/c1-4-34-24-15-19(14-22-25(24)35-18(3)26(32)29-22)16-30-9-11-31(12-10-30)23-8-5-20(13-17(23)2)27(33)28-21-6-7-21/h5,8,13-15,18,21H,4,6-7,9-12,16H2,1-3H3,(H,28,33)(H,29,32) | PDB
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.00E+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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438248
(CHEMBL2407998)Show InChI InChI=1S/C20H22N2O2/c23-20-14-24-19-7-6-15(12-18(19)21-20)13-22-10-8-17(9-11-22)16-4-2-1-3-5-16/h1-7,12,17H,8-11,13-14H2,(H,21,23) | PDB
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | n/a | 296 | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Binding affinity to catalytic domain of human PARP1 after 5 mins by surface plasmon resonance 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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438257
(CHEMBL2407990)Show InChI InChI=1S/C9H9NO2/c1-6-9(11)10-7-4-2-3-5-8(7)12-6/h2-6H,1H3,(H,10,11) | PDB
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PC cid
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| Article
PubMed
| n/a | n/a | n/a | 3.20E+4 | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Binding affinity to catalytic domain of human PARP1 after 5 mins by surface plasmon resonance 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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438260
(CHEMBL2407981)Show SMILES CCNC(=O)c1ccc(N2CCN(Cc3cc(C)c4OC(C)C(=O)Nc4c3)CC2)c(Cl)c1 Show InChI InChI=1S/C24H29ClN4O3/c1-4-26-24(31)18-5-6-21(19(25)13-18)29-9-7-28(8-10-29)14-17-11-15(2)22-20(12-17)27-23(30)16(3)32-22/h5-6,11-13,16H,4,7-10,14H2,1-3H3,(H,26,31)(H,27,30) | PDB
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.40E+4 | 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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438233
(CHEMBL2407988)Show SMILES COc1cc(CN2CCN(CC2)c2ccc(cc2C)C(=O)NC2CC2)cc2NC(=O)C(C)Oc12 Show InChI InChI=1S/C26H32N4O4/c1-16-12-19(26(32)27-20-5-6-20)4-7-22(16)30-10-8-29(9-11-30)15-18-13-21-24(23(14-18)33-3)34-17(2)25(31)28-21/h4,7,12-14,17,20H,5-6,8-11,15H2,1-3H3,(H,27,32)(H,28,31) | PDB
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 7.70E+4 | 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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438234
(CHEMBL2407987)Show SMILES CCNC(=O)c1ccc(N2CCN(Cc3cc4NC(=O)C(C)Oc4c(OC)c3)CC2)c(C)c1 Show InChI InChI=1S/C25H32N4O4/c1-5-26-25(31)19-6-7-21(16(2)12-19)29-10-8-28(9-11-29)15-18-13-20-23(22(14-18)32-4)33-17(3)24(30)27-20/h6-7,12-14,17H,5,8-11,15H2,1-4H3,(H,26,31)(H,27,30) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 4.40E+4 | 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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438262
(CHEMBL2407979)Show SMILES COc1cc(CN2CCN(CC2)c2ccc(cc2)C(=O)NC2CC2)cc2NC(=O)C(C)Oc12 Show InChI InChI=1S/C25H30N4O4/c1-16-24(30)27-21-13-17(14-22(32-2)23(21)33-16)15-28-9-11-29(12-10-28)20-7-3-18(4-8-20)25(31)26-19-5-6-19/h3-4,7-8,13-14,16,19H,5-6,9-12,15H2,1-2H3,(H,26,31)(H,27,30) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.62E+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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM27566
(4-({3-[(4-cyclopropanecarbonylpiperazin-1-yl)carbo...)Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)C(=O)C1CC1 Show InChI InChI=1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30) | PDB
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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)) | BDBM50438230
(CHEMBL2407970)Show SMILES CCOc1cc(CN2CCN(CC2)c2ccc(cc2C)C(=O)NC2CC2)cc2NC(=O)C(C)Oc12 Show InChI InChI=1S/C27H34N4O4/c1-4-34-24-15-19(14-22-25(24)35-18(3)26(32)29-22)16-30-9-11-31(12-10-30)23-8-5-20(13-17(23)2)27(33)28-21-6-7-21/h5,8,13-15,18,21H,4,6-7,9-12,16H2,1-3H3,(H,28,33)(H,29,32) | PDB
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| n/a | n/a | n/a | n/a | 20 | 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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438231
(CHEMBL2407969)Show SMILES CCNC(=O)c1ccc(N2CCN(Cc3cc4NC(=O)C(C)Oc4c(OCC)c3)CC2)c(C)c1 Show InChI InChI=1S/C26H34N4O4/c1-5-27-26(32)20-7-8-22(17(3)13-20)30-11-9-29(10-12-30)16-19-14-21-24(23(15-19)33-6-2)34-18(4)25(31)28-21/h7-8,13-15,18H,5-6,9-12,16H2,1-4H3,(H,27,32)(H,28,31) | PDB
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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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438232
(CHEMBL2407989)Show SMILES CCOc1cc(CN2CCN(CC2)c2ccc(cc2C)C(=O)NC)cc2NC(=O)C(C)Oc12 Show InChI InChI=1S/C25H32N4O4/c1-5-32-22-14-18(13-20-23(22)33-17(3)24(30)27-20)15-28-8-10-29(11-9-28)21-7-6-19(12-16(21)2)25(31)26-4/h6-7,12-14,17H,5,8-11,15H2,1-4H3,(H,26,31)(H,27,30) | PDB
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| n/a | n/a | n/a | n/a | 20 | 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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438243
(CHEMBL2407971)Show SMILES CNC(=O)c1ccc(cc1)N1CCN(Cc2ccc3OC(C)C(=O)Nc3c2)CC1 Show InChI InChI=1S/C22H26N4O3/c1-15-21(27)24-19-13-16(3-8-20(19)29-15)14-25-9-11-26(12-10-25)18-6-4-17(5-7-18)22(28)23-2/h3-8,13,15H,9-12,14H2,1-2H3,(H,23,28)(H,24,27) | PDB
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| n/a | n/a | n/a | n/a | 1.50E+4 | 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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM27566
(4-({3-[(4-cyclopropanecarbonylpiperazin-1-yl)carbo...)Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)C(=O)C1CC1 Show InChI InChI=1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30) | PDB
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| n/a | n/a | n/a | n/a | 1.60E+4 | 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)) | BDBM50438247
(CHEMBL2407999)Show InChI InChI=1S/C21H24N2O2/c1-15-21(24)22-19-13-16(7-8-20(19)25-15)14-23-11-9-18(10-12-23)17-5-3-2-4-6-17/h2-8,13,15,18H,9-12,14H2,1H3,(H,22,24) | PDB
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| n/a | n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Binding affinity to catalytic domain of human PARP1 after 5 mins by surface plasmon resonance 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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438249
(CHEMBL2407997)Show InChI InChI=1S/C17H25N3O2/c1-12-17(21)18-15-10-13(4-5-16(15)22-12)11-20-8-6-14(7-9-20)19(2)3/h4-5,10,12,14H,6-9,11H2,1-3H3,(H,18,21) | PDB
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| n/a | n/a | n/a | 96 | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Binding affinity to catalytic domain of human PARP1 after 5 mins by surface plasmon resonance 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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438253
(CHEMBL2407993)Show InChI InChI=1S/C15H14N2O2/c18-15-10-19-14-7-6-11(8-13(14)17-15)9-16-12-4-2-1-3-5-12/h1-8,16H,9-10H2,(H,17,18) | PDB
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| n/a | n/a | n/a | 2.60E+4 | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Binding affinity to catalytic domain of human PARP1 after 5 mins by surface plasmon resonance 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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438256
(CHEMBL2407991)Show InChI InChI=1S/C10H11NO2/c1-10(2)9(12)11-7-5-3-4-6-8(7)13-10/h3-6H,1-2H3,(H,11,12) | PDB
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| n/a | n/a | n/a | >5.00E+5 | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Binding affinity to catalytic domain of human PARP1 after 5 mins by surface plasmon resonance 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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438232
(CHEMBL2407989)Show SMILES CCOc1cc(CN2CCN(CC2)c2ccc(cc2C)C(=O)NC)cc2NC(=O)C(C)Oc12 Show InChI InChI=1S/C25H32N4O4/c1-5-32-22-14-18(13-20-23(22)33-17(3)24(30)27-20)15-28-8-10-29(11-9-28)21-7-6-19(12-16(21)2)25(31)26-4/h6-7,12-14,17H,5,8-11,15H2,1-4H3,(H,26,31)(H,27,30) | PDB
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| n/a | n/a | n/a | n/a | 2.60E+4 | 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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438241
(CHEMBL2407973)Show SMILES CCNC(=O)c1ccc(N2CCN(Cc3ccc4OC(C)C(=O)Nc4c3)CC2)c(Cl)c1 Show InChI InChI=1S/C23H27ClN4O3/c1-3-25-23(30)17-5-6-20(18(24)13-17)28-10-8-27(9-11-28)14-16-4-7-21-19(12-16)26-22(29)15(2)31-21/h4-7,12-13,15H,3,8-11,14H2,1-2H3,(H,25,30)(H,26,29) | PDB
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| n/a | n/a | n/a | n/a | 1.00E+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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438266
(CHEMBL2408004)Show SMILES CCC1Oc2ccc(CN3CCC(=CC3)c3ccc(Cl)cc3)cc2NC1=O |c:12| Show InChI InChI=1S/C22H23ClN2O2/c1-2-20-22(26)24-19-13-15(3-8-21(19)27-20)14-25-11-9-17(10-12-25)16-4-6-18(23)7-5-16/h3-9,13,20H,2,10-12,14H2,1H3,(H,24,26) | PDB
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| n/a | n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Binding affinity to catalytic domain of human PARP1 after 5 mins by surface plasmon resonance 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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438254
(CHEMBL2407992)Show InChI InChI=1S/C10H11NO2/c1-2-7-3-4-9-8(5-7)11-10(12)6-13-9/h3-5H,2,6H2,1H3,(H,11,12) | PDB
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| n/a | n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Binding affinity to catalytic domain of human PARP1 after 5 mins by surface plasmon resonance 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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438265
(CHEMBL2407976)Show SMILES CC1Oc2c(C)cc(CN3CCN(CC3)c3ccc(cc3)C(=O)NC3CC3)cc2NC1=O Show InChI InChI=1S/C25H30N4O3/c1-16-13-18(14-22-23(16)32-17(2)24(30)27-22)15-28-9-11-29(12-10-28)21-7-3-19(4-8-21)25(31)26-20-5-6-20/h3-4,7-8,13-14,17,20H,5-6,9-12,15H2,1-2H3,(H,26,31)(H,27,30) | PDB
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| n/a | n/a | n/a | n/a | 5.00E+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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438236
(CHEMBL2407985)Show SMILES CC1Oc2c(C)cc(CN3CCN(CC3)c3ccc(cc3C)C(=O)NC3CC3)cc2NC1=O Show InChI InChI=1S/C26H32N4O3/c1-16-13-20(26(32)27-21-5-6-21)4-7-23(16)30-10-8-29(9-11-30)15-19-12-17(2)24-22(14-19)28-25(31)18(3)33-24/h4,7,12-14,18,21H,5-6,8-11,15H2,1-3H3,(H,27,32)(H,28,31) | PDB
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| n/a | n/a | n/a | n/a | 1.00E+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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438238
(CHEMBL2407983)Show SMILES CNC(=O)c1ccc(N2CCN(Cc3cc(C)c4OC(C)C(=O)Nc4c3)CC2)c(C)c1 Show InChI InChI=1S/C24H30N4O3/c1-15-12-19(24(30)25-4)5-6-21(15)28-9-7-27(8-10-28)14-18-11-16(2)22-20(13-18)26-23(29)17(3)31-22/h5-6,11-13,17H,7-10,14H2,1-4H3,(H,25,30)(H,26,29) | PDB
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| n/a | n/a | n/a | n/a | 7.80E+4 | 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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438259
(CHEMBL2407982)Show SMILES CC1Oc2c(C)cc(CN3CCN(CC3)c3ccc(cc3Cl)C(=O)NC3CC3)cc2NC1=O Show InChI InChI=1S/C25H29ClN4O3/c1-15-11-17(12-21-23(15)33-16(2)24(31)28-21)14-29-7-9-30(10-8-29)22-6-3-18(13-20(22)26)25(32)27-19-4-5-19/h3,6,11-13,16,19H,4-5,7-10,14H2,1-2H3,(H,27,32)(H,28,31) | PDB
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | n/a | n/a | 4.30E+4 | 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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438261
(CHEMBL2407980)Show SMILES CNC(=O)c1ccc(N2CCN(Cc3cc(C)c4OC(C)C(=O)Nc4c3)CC2)c(Cl)c1 Show InChI InChI=1S/C23H27ClN4O3/c1-14-10-16(11-19-21(14)31-15(2)22(29)26-19)13-27-6-8-28(9-7-27)20-5-4-17(12-18(20)24)23(30)25-3/h4-5,10-12,15H,6-9,13H2,1-3H3,(H,25,30)(H,26,29) | PDB
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 4.50E+4 | 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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438243
(CHEMBL2407971)Show SMILES CNC(=O)c1ccc(cc1)N1CCN(Cc2ccc3OC(C)C(=O)Nc3c2)CC1 Show InChI InChI=1S/C22H26N4O3/c1-15-21(27)24-19-13-16(3-8-20(19)29-15)14-25-9-11-26(12-10-25)18-6-4-17(5-7-18)22(28)23-2/h3-8,13,15H,9-12,14H2,1-2H3,(H,23,28)(H,24,27) | PDB
MMDB
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B.MOAD
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.40E+4 | 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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438236
(CHEMBL2407985)Show SMILES CC1Oc2c(C)cc(CN3CCN(CC3)c3ccc(cc3C)C(=O)NC3CC3)cc2NC1=O Show InChI InChI=1S/C26H32N4O3/c1-16-13-20(26(32)27-21-5-6-21)4-7-23(16)30-10-8-29(9-11-30)15-19-12-17(2)24-22(14-19)28-25(31)18(3)33-24/h4,7,12-14,18,21H,5-6,8-11,15H2,1-3H3,(H,27,32)(H,28,31) | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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PubMed
| n/a | n/a | n/a | n/a | 1.80E+4 | 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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438241
(CHEMBL2407973)Show SMILES CCNC(=O)c1ccc(N2CCN(Cc3ccc4OC(C)C(=O)Nc4c3)CC2)c(Cl)c1 Show InChI InChI=1S/C23H27ClN4O3/c1-3-25-23(30)17-5-6-20(18(24)13-17)28-10-8-27(9-11-28)14-16-4-7-21-19(12-16)26-22(29)15(2)31-21/h4-7,12-13,15H,3,8-11,14H2,1-2H3,(H,25,30)(H,26,29) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 4.00E+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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438250
(CHEMBL2407996)Show InChI InChI=1S/C16H23N3O2/c1-18(2)13-5-7-19(8-6-13)10-12-3-4-15-14(9-12)17-16(20)11-21-15/h3-4,9,13H,5-8,10-11H2,1-2H3,(H,17,20) | PDB
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antibodypedia
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| CHEMBL
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PC sid
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Similars
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PubMed
| n/a | n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Binding affinity to catalytic domain of human PARP1 after 5 mins by surface plasmon resonance 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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438263
(CHEMBL2407978)Show SMILES CCNC(=O)c1ccc(cc1)N1CCN(Cc2cc3NC(=O)C(C)Oc3c(OC)c2)CC1 Show InChI InChI=1S/C24H30N4O4/c1-4-25-24(30)18-5-7-19(8-6-18)28-11-9-27(10-12-28)15-17-13-20-22(21(14-17)31-3)32-16(2)23(29)26-20/h5-8,13-14,16H,4,9-12,15H2,1-3H3,(H,25,30)(H,26,29) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.60E+4 | 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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438264
(CHEMBL2407977)Show SMILES CNC(=O)c1ccc(cc1)N1CCN(Cc2cc3NC(=O)C(C)Oc3c(OC)c2)CC1 Show InChI InChI=1S/C23H28N4O4/c1-15-22(28)25-19-12-16(13-20(30-3)21(19)31-15)14-26-8-10-27(11-9-26)18-6-4-17(5-7-18)23(29)24-2/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,24,29)(H,25,28) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.70E+4 | 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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438231
(CHEMBL2407969)Show SMILES CCNC(=O)c1ccc(N2CCN(Cc3cc4NC(=O)C(C)Oc4c(OCC)c3)CC2)c(C)c1 Show InChI InChI=1S/C26H34N4O4/c1-5-27-26(32)20-7-8-22(17(3)13-20)30-11-9-29(10-12-30)16-19-14-21-24(23(15-19)33-6-2)34-18(4)25(31)28-21/h7-8,13-15,18H,5-6,9-12,16H2,1-4H3,(H,27,32)(H,28,31) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.00E+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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438264
(CHEMBL2407977)Show SMILES CNC(=O)c1ccc(cc1)N1CCN(Cc2cc3NC(=O)C(C)Oc3c(OC)c2)CC1 Show InChI InChI=1S/C23H28N4O4/c1-15-22(28)25-19-12-16(13-20(30-3)21(19)31-15)14-26-8-10-27(11-9-26)18-6-4-17(5-7-18)23(29)24-2/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,24,29)(H,25,28) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.51E+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 | |
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
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| 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)) | BDBM50438235
(CHEMBL2407986)Show SMILES CNC(=O)c1ccc(N2CCN(Cc3cc4NC(=O)C(C)Oc4c(OC)c3)CC2)c(C)c1 Show InChI InChI=1S/C24H30N4O4/c1-15-11-18(24(30)25-3)5-6-20(15)28-9-7-27(8-10-28)14-17-12-19-22(21(13-17)31-4)32-16(2)23(29)26-19/h5-6,11-13,16H,7-10,14H2,1-4H3,(H,25,30)(H,26,29) | PDB
MMDB
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B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | n/a | n/a | 60 | 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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438242
(CHEMBL2407972)Show SMILES CCNC(=O)c1ccc(cc1)N1CCN(Cc2ccc3OC(C)C(=O)Nc3c2)CC1 Show InChI InChI=1S/C23H28N4O3/c1-3-24-23(29)18-5-7-19(8-6-18)27-12-10-26(11-13-27)15-17-4-9-21-20(14-17)25-22(28)16(2)30-21/h4-9,14,16H,3,10-13,15H2,1-2H3,(H,24,29)(H,25,28) | PDB
MMDB
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.50E+4 | 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 | |
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
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| 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)) | BDBM50438245
(CHEMBL2408001)Show SMILES Clc1ccc(cc1)C1=CCN(Cc2ccc3OCC(=O)Nc3c2)CC1 |t:8| Show InChI InChI=1S/C20H19ClN2O2/c21-17-4-2-15(3-5-17)16-7-9-23(10-8-16)12-14-1-6-19-18(11-14)22-20(24)13-25-19/h1-7,11H,8-10,12-13H2,(H,22,24) | PDB
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PubMed
| n/a | n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a |
Takeda California
Curated by ChEMBL
| Assay Description
Binding affinity to catalytic domain of human PARP1 after 5 mins by surface plasmon resonance 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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438237
(CHEMBL2407984)Show SMILES CCNC(=O)c1ccc(N2CCN(Cc3cc(C)c4OC(C)C(=O)Nc4c3)CC2)c(C)c1 Show InChI InChI=1S/C25H32N4O3/c1-5-26-25(31)20-6-7-22(16(2)13-20)29-10-8-28(9-11-29)15-19-12-17(3)23-21(14-19)27-24(30)18(4)32-23/h6-7,12-14,18H,5,8-11,15H2,1-4H3,(H,26,31)(H,27,30) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 5.50E+4 | 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 | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50438260
(CHEMBL2407981)Show SMILES CCNC(=O)c1ccc(N2CCN(Cc3cc(C)c4OC(C)C(=O)Nc4c3)CC2)c(Cl)c1 Show InChI InChI=1S/C24H29ClN4O3/c1-4-26-24(31)18-5-6-21(19(25)13-18)29-9-7-28(8-10-29)14-17-11-15(2)22-20(12-17)27-23(30)16(3)32-22/h5-6,11-13,16H,4,7-10,14H2,1-3H3,(H,26,31)(H,27,30) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 4.70E+4 | 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 | |
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