Found 67 hits Enz. Inhib. hit(s) with all data for entry = 50040015 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)) | BDBM50387945
(CHEMBL2058927 | US9283222, 511)Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCN(CC1)c1cnccn1 Show InChI InChI=1S/C23H24FN7O2/c24-18-4-3-15(13-19-21-16(2-1-5-27-21)22(32)29-28-19)12-17(18)23(33)31-10-8-30(9-11-31)20-14-25-6-7-26-20/h3-4,6-7,12,14,27H,1-2,5,8-11,13H2,(H,29,32) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.400 | 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 using [3H]NAD+ after 1 hr by scintillation counting |
Bioorg Med Chem 20: 4635-45 (2012)
Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50387946
(CHEMBL2058928 | US9283222, 536)Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C23H24FN7O2/c24-18-5-4-15(14-19-20-16(3-1-6-25-20)21(32)29-28-19)13-17(18)22(33)30-9-11-31(12-10-30)23-26-7-2-8-27-23/h2,4-5,7-8,13,25H,1,3,6,9-12,14H2,(H,29,32) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.400 | 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 using [3H]NAD+ after 1 hr by scintillation counting |
Bioorg Med Chem 20: 4635-45 (2012)
Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50387914
(CHEMBL2058682 | US9283222, 507)Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1N1C(=O)CCCC1=O Show InChI InChI=1S/C19H19FN4O3/c20-13-7-6-11(10-15(13)24-16(25)4-1-5-17(24)26)9-14-18-12(3-2-8-21-18)19(27)23-22-14/h6-7,10,21H,1-5,8-9H2,(H,23,27) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.700 | 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 using [3H]NAD+ after 1 hr by scintillation counting |
Bioorg Med Chem 20: 4635-45 (2012)
Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50387941
(CHEMBL2058922 | US9283222, 556)Show SMILES CS(=O)(=O)N1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3CCCNc23)ccc1F Show InChI InChI=1S/C20H24FN5O4S/c1-31(29,30)26-9-7-25(8-10-26)20(28)15-11-13(4-5-16(15)21)12-17-18-14(3-2-6-22-18)19(27)24-23-17/h4-5,11,22H,2-3,6-10,12H2,1H3,(H,24,27) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.700 | 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 using [3H]NAD+ after 1 hr by scintillation counting |
Bioorg Med Chem 20: 4635-45 (2012)
Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50387948
(CHEMBL2058925 | US9283222, 695)Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCN(CC1)c1cccnc1 Show InChI InChI=1S/C24H25FN6O2/c25-20-6-5-16(14-21-22-18(4-2-8-27-22)23(32)29-28-21)13-19(20)24(33)31-11-9-30(10-12-31)17-3-1-7-26-15-17/h1,3,5-7,13,15,27H,2,4,8-12,14H2,(H,29,32) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.900 | 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 using [3H]NAD+ after 1 hr by scintillation counting |
Bioorg Med Chem 20: 4635-45 (2012)
Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50387935
(CHEMBL2058916 | US9283222, 607)Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCNC(=O)C1 Show InChI InChI=1S/C19H20FN5O3/c20-14-4-3-11(8-13(14)19(28)25-7-6-21-16(26)10-25)9-15-17-12(2-1-5-22-17)18(27)24-23-15/h3-4,8,22H,1-2,5-7,9-10H2,(H,21,26)(H,24,27) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.900 | 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 using [3H]NAD+ after 1 hr by scintillation counting |
Bioorg Med Chem 20: 4635-45 (2012)
Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50387938
(CHEMBL2058919)Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCN(CC1)C(=O)C(F)(F)F Show InChI InChI=1S/C21H21F4N5O3/c22-15-4-3-12(11-16-17-13(2-1-5-26-17)18(31)28-27-16)10-14(15)19(32)29-6-8-30(9-7-29)20(33)21(23,24)25/h3-4,10,26H,1-2,5-9,11H2,(H,28,31) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.900 | 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 using [3H]NAD+ after 1 hr by scintillation counting |
Bioorg Med Chem 20: 4635-45 (2012)
Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50387939
(CHEMBL2058920 | US9283222, 551)Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCN(CC1)C(=O)c1ccccc1 Show InChI InChI=1S/C26H26FN5O3/c27-21-9-8-17(16-22-23-19(7-4-10-28-23)24(33)30-29-22)15-20(21)26(35)32-13-11-31(12-14-32)25(34)18-5-2-1-3-6-18/h1-3,5-6,8-9,15,28H,4,7,10-14,16H2,(H,30,33) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.900 | 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 using [3H]NAD+ after 1 hr by scintillation counting |
Bioorg Med Chem 20: 4635-45 (2012)
Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50387944
(CHEMBL2058926 | US9283222, 545)Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCN(CC1)c1ccccn1 Show InChI InChI=1S/C24H25FN6O2/c25-19-7-6-16(15-20-22-17(4-3-9-27-22)23(32)29-28-20)14-18(19)24(33)31-12-10-30(11-13-31)21-5-1-2-8-26-21/h1-2,5-8,14,27H,3-4,9-13,15H2,(H,29,32) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.900 | 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 using [3H]NAD+ after 1 hr by scintillation counting |
Bioorg Med Chem 20: 4635-45 (2012)
Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50387940
(CHEMBL2058921 | US9283222, 512)Show SMILES CN(C)C(=O)N1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3CCCNc23)ccc1F Show InChI InChI=1S/C22H27FN6O3/c1-27(2)22(32)29-10-8-28(9-11-29)21(31)16-12-14(5-6-17(16)23)13-18-19-15(4-3-7-24-19)20(30)26-25-18/h5-6,12,24H,3-4,7-11,13H2,1-2H3,(H,26,30) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.20 | 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 using [3H]NAD+ after 1 hr by scintillation counting |
Bioorg Med Chem 20: 4635-45 (2012)
Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50387942
(CHEMBL2058923 | US9283222, 546)Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCN(CC1)c1ccccc1 Show InChI InChI=1S/C25H26FN5O2/c26-21-9-8-17(16-22-23-19(7-4-10-27-23)24(32)29-28-22)15-20(21)25(33)31-13-11-30(12-14-31)18-5-2-1-3-6-18/h1-3,5-6,8-9,15,27H,4,7,10-14,16H2,(H,29,32) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.20 | 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 using [3H]NAD+ after 1 hr by scintillation counting |
Bioorg Med Chem 20: 4635-45 (2012)
Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50387943
(CHEMBL2058924 | US9283222, 510)Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCN(CC1)c1ccncc1 Show InChI InChI=1S/C24H25FN6O2/c25-20-4-3-16(15-21-22-18(2-1-7-27-22)23(32)29-28-21)14-19(20)24(33)31-12-10-30(11-13-31)17-5-8-26-9-6-17/h3-6,8-9,14,27H,1-2,7,10-13,15H2,(H,29,32) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.20 | 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 using [3H]NAD+ after 1 hr by scintillation counting |
Bioorg Med Chem 20: 4635-45 (2012)
Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50387936
(CHEMBL2058917 | US9283222, 506)Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCN(CC1)C(=O)C1CC1 Show InChI InChI=1S/C23H26FN5O3/c24-18-6-3-14(13-19-20-16(2-1-7-25-20)21(30)27-26-19)12-17(18)23(32)29-10-8-28(9-11-29)22(31)15-4-5-15/h3,6,12,15,25H,1-2,4-5,7-11,13H2,(H,27,30) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.30 | 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 using [3H]NAD+ after 1 hr by scintillation counting |
Bioorg Med Chem 20: 4635-45 (2012)
Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50387925
(CHEMBL2058688 | US9283222, 479)Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1NC(=O)CCC(=O)c1ccccc1 Show InChI InChI=1S/C24H23FN4O3/c25-18-9-8-15(14-20-23-17(7-4-12-26-23)24(32)29-28-20)13-19(18)27-22(31)11-10-21(30)16-5-2-1-3-6-16/h1-3,5-6,8-9,13,26H,4,7,10-12,14H2,(H,27,31)(H,29,32) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.30 | 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 using [3H]NAD+ after 1 hr by scintillation counting |
Bioorg Med Chem 20: 4635-45 (2012)
Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50387937
(CHEMBL2058918 | US9283222, 559)Show SMILES CC(=O)N1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3CCCNc23)ccc1F Show InChI InChI=1S/C21H24FN5O3/c1-13(28)26-7-9-27(10-8-26)21(30)16-11-14(4-5-17(16)22)12-18-19-15(3-2-6-23-19)20(29)25-24-18/h4-5,11,23H,2-3,6-10,12H2,1H3,(H,25,29) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.30 | 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 using [3H]NAD+ after 1 hr by scintillation counting |
Bioorg Med Chem 20: 4635-45 (2012)
Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50387924
(CHEMBL2058687 | US9283222, 474)Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1NC(=O)CCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C25H26FN5O3/c26-19-12-11-16(15-21-24-18(8-5-13-27-24)25(34)31-30-21)14-20(19)29-23(33)10-4-9-22(32)28-17-6-2-1-3-7-17/h1-3,6-7,11-12,14,27H,4-5,8-10,13,15H2,(H,28,32)(H,29,33)(H,31,34) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.40 | 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 using [3H]NAD+ after 1 hr by scintillation counting |
Bioorg Med Chem 20: 4635-45 (2012)
Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50387916
(CHEMBL2058681)Show SMILES Oc1ccc(O)n1-c1cc(Cc2n[nH]c(=O)c3CCCNc23)ccc1F |(12.24,-8.93,;13.39,-9.95,;14.9,-9.63,;15.67,-10.96,;14.64,-12.11,;14.96,-13.61,;13.25,-11.48,;11.91,-12.25,;10.58,-11.49,;9.26,-12.26,;7.93,-11.49,;7.93,-9.95,;9.26,-9.18,;9.25,-7.64,;7.92,-6.88,;7.92,-5.34,;6.6,-7.65,;5.27,-6.87,;3.94,-7.65,;3.94,-9.19,;5.27,-9.95,;6.6,-9.18,;9.25,-13.8,;10.58,-14.57,;11.92,-13.8,;13.25,-14.57,)| Show InChI InChI=1S/C18H17FN4O3/c19-12-4-3-10(9-14(12)23-15(24)5-6-16(23)25)8-13-17-11(2-1-7-20-17)18(26)22-21-13/h3-6,9,20,24-25H,1-2,7-8H2,(H,22,26) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.40 | 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 using [3H]NAD+ after 1 hr by scintillation counting |
Bioorg Med Chem 20: 4635-45 (2012)
Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50387931
(CHEMBL2058912 | US9283222, 708)Show SMILES NC1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3CCCNc23)ccc1F Show InChI InChI=1S/C20H24FN5O2/c21-16-4-3-12(10-15(16)20(28)26-8-5-13(22)6-9-26)11-17-18-14(2-1-7-23-18)19(27)25-24-17/h3-4,10,13,23H,1-2,5-9,11,22H2,(H,25,27) | PDB
MMDB
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| 1.60 | 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 using [3H]NAD+ after 1 hr by scintillation counting |
Bioorg Med Chem 20: 4635-45 (2012)
Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50387930
(CHEMBL2058911 | US9283222, 617)Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCNCC1 Show InChI InChI=1S/C19H22FN5O2/c20-15-4-3-12(10-14(15)19(27)25-8-6-21-7-9-25)11-16-17-13(2-1-5-22-17)18(26)24-23-16/h3-4,10,21-22H,1-2,5-9,11H2,(H,24,26) | PDB
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| 1.80 | 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 using [3H]NAD+ after 1 hr by scintillation counting |
Bioorg Med Chem 20: 4635-45 (2012)
Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50387934
(CHEMBL2058915 | US9283222, 564)Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCN(CC1)C1CCCC1 Show InChI InChI=1S/C24H30FN5O2/c25-20-8-7-16(15-21-22-18(6-3-9-26-22)23(31)28-27-21)14-19(20)24(32)30-12-10-29(11-13-30)17-4-1-2-5-17/h7-8,14,17,26H,1-6,9-13,15H2,(H,28,31) | PDB
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| Article
PubMed
| 2.5 | 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 using [3H]NAD+ after 1 hr by scintillation counting |
Bioorg Med Chem 20: 4635-45 (2012)
Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50387918
(CHEMBL2058680 | US9283222, 459)Show InChI InChI=1S/C17H17FN4O2/c18-12-4-3-10(9-14(12)22-7-5-15(22)23)8-13-16-11(2-1-6-19-16)17(24)21-20-13/h3-4,9,19H,1-2,5-8H2,(H,21,24) | PDB
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| 3 | 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 using [3H]NAD+ after 1 hr by scintillation counting |
Bioorg Med Chem 20: 4635-45 (2012)
Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50387929
(CHEMBL2058693 | US9283222, 563)Show SMILES CN1CCN(CCNC(=O)c2cc(Cc3n[nH]c(=O)c4CCCNc34)ccc2F)CC1 Show InChI InChI=1S/C22H29FN6O2/c1-28-9-11-29(12-10-28)8-7-25-21(30)17-13-15(4-5-18(17)23)14-19-20-16(3-2-6-24-20)22(31)27-26-19/h4-5,13,24H,2-3,6-12,14H2,1H3,(H,25,30)(H,27,31) | PDB
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| 3.5 | 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 using [3H]NAD+ after 1 hr by scintillation counting |
Bioorg Med Chem 20: 4635-45 (2012)
Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50387923
(CHEMBL2058686 | US9283222, 477)Show SMILES CC(=O)CCCC(=O)Nc1cc(Cc2n[nH]c(=O)c3CCCNc23)ccc1F Show InChI InChI=1S/C20H23FN4O3/c1-12(26)4-2-6-18(27)23-16-10-13(7-8-15(16)21)11-17-19-14(5-3-9-22-19)20(28)25-24-17/h7-8,10,22H,2-6,9,11H2,1H3,(H,23,27)(H,25,28) | PDB
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PubMed
| 4 | 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 using [3H]NAD+ after 1 hr by scintillation counting |
Bioorg Med Chem 20: 4635-45 (2012)
Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50387933
(CHEMBL2058914 | US9283222, 516)Show SMILES CN1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3CCCNc23)ccc1F Show InChI InChI=1S/C20H24FN5O2/c1-25-7-9-26(10-8-25)20(28)15-11-13(4-5-16(15)21)12-17-18-14(3-2-6-22-18)19(27)24-23-17/h4-5,11,22H,2-3,6-10,12H2,1H3,(H,24,27) | PDB
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| 6 | 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 using [3H]NAD+ after 1 hr by scintillation counting |
Bioorg Med Chem 20: 4635-45 (2012)
Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50387915
(CHEMBL2058679 | US9283222, 464)Show InChI InChI=1S/C18H19FN4O2/c19-13-6-5-11(10-15(13)23-8-2-4-16(23)24)9-14-17-12(3-1-7-20-17)18(25)22-21-14/h5-6,10,20H,1-4,7-9H2,(H,22,25) | PDB
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| 6 | 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 using [3H]NAD+ after 1 hr by scintillation counting |
Bioorg Med Chem 20: 4635-45 (2012)
Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50387947
(CHEMBL2058690 | US9283222, 470)Show InChI InChI=1S/C17H19FN4O2/c1-2-19-16(23)12-8-10(5-6-13(12)18)9-14-15-11(4-3-7-20-15)17(24)22-21-14/h5-6,8,20H,2-4,7,9H2,1H3,(H,19,23)(H,22,24) | PDB
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| 6 | 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 using [3H]NAD+ after 1 hr by scintillation counting |
Bioorg Med Chem 20: 4635-45 (2012)
Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50387932
(CHEMBL2058913 | US9283222, 638)Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCNC[C@H]1c1ccccc1 |r| Show InChI InChI=1S/C25H26FN5O2/c26-20-9-8-16(14-21-23-18(7-4-10-28-23)24(32)30-29-21)13-19(20)25(33)31-12-11-27-15-22(31)17-5-2-1-3-6-17/h1-3,5-6,8-9,13,22,27-28H,4,7,10-12,14-15H2,(H,30,32)/t22-/m0/s1 | PDB
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| 7 | 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 using [3H]NAD+ after 1 hr by scintillation counting |
Bioorg Med Chem 20: 4635-45 (2012)
Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50387920
(CHEMBL2058683)Show SMILES Cc1[nH]c(=O)n(c1O)-c1cc(Cc2n[nH]c(=O)c3CCCNc23)ccc1F |(4.55,-21.26,;3.02,-21.1,;2.24,-19.77,;.74,-20.1,;-.41,-19.07,;.59,-21.62,;1.99,-22.25,;2.31,-23.76,;-.74,-22.4,;-2.07,-21.63,;-3.4,-22.4,;-4.73,-21.63,;-4.73,-20.09,;-3.4,-19.33,;-3.4,-17.78,;-4.73,-17.02,;-4.73,-15.48,;-6.05,-17.79,;-7.38,-17.01,;-8.71,-17.79,;-8.71,-19.33,;-7.38,-20.09,;-6.06,-19.32,;-3.41,-23.94,;-2.07,-24.71,;-.74,-23.94,;.6,-24.71,)| Show InChI InChI=1S/C18H18FN5O3/c1-9-17(26)24(18(27)21-9)14-8-10(4-5-12(14)19)7-13-15-11(3-2-6-20-15)16(25)23-22-13/h4-5,8,20,26H,2-3,6-7H2,1H3,(H,21,27)(H,23,25) | PDB
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| 9 | 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 using [3H]NAD+ after 1 hr by scintillation counting |
Bioorg Med Chem 20: 4635-45 (2012)
Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50387928
(CHEMBL2058692 | US9283222, 472)Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)NCCN1CCCC1 Show InChI InChI=1S/C21H26FN5O2/c22-17-6-5-14(12-16(17)20(28)24-8-11-27-9-1-2-10-27)13-18-19-15(4-3-7-23-19)21(29)26-25-18/h5-6,12,23H,1-4,7-11,13H2,(H,24,28)(H,26,29) | PDB
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| 9 | 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 using [3H]NAD+ after 1 hr by scintillation counting |
Bioorg Med Chem 20: 4635-45 (2012)
Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50387922
(CHEMBL2058685 | US9283222, 476)Show SMILES COCCC(=O)Nc1cc(Cc2n[nH]c(=O)c3CCCNc23)ccc1F Show InChI InChI=1S/C18H21FN4O3/c1-26-8-6-16(24)21-14-9-11(4-5-13(14)19)10-15-17-12(3-2-7-20-17)18(25)23-22-15/h4-5,9,20H,2-3,6-8,10H2,1H3,(H,21,24)(H,23,25) | PDB
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| 12 | 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 using [3H]NAD+ after 1 hr by scintillation counting |
Bioorg Med Chem 20: 4635-45 (2012)
Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50387927
(CHEMBL2058691 | US9283222, 484)Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)NC1CC1 Show InChI InChI=1S/C18H19FN4O2/c19-14-6-3-10(8-13(14)17(24)21-11-4-5-11)9-15-16-12(2-1-7-20-16)18(25)23-22-15/h3,6,8,11,20H,1-2,4-5,7,9H2,(H,21,24)(H,23,25) | PDB
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| 14 | 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 using [3H]NAD+ after 1 hr by scintillation counting |
Bioorg Med Chem 20: 4635-45 (2012)
Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50387921
(CHEMBL2058684 | US9283222, 606)Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1N1C(=O)CCNC1=O Show InChI InChI=1S/C18H18FN5O3/c19-12-4-3-10(9-14(12)24-15(25)5-7-21-18(24)27)8-13-16-11(2-1-6-20-16)17(26)23-22-13/h3-4,9,20H,1-2,5-8H2,(H,21,27)(H,23,26) | PDB
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| 17 | 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 using [3H]NAD+ after 1 hr by scintillation counting |
Bioorg Med Chem 20: 4635-45 (2012)
Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50387926
(CHEMBL2058689)Show InChI InChI=1S/C15H15FN4O2/c16-11-4-3-8(6-10(11)14(17)21)7-12-13-9(2-1-5-18-13)15(22)20-19-12/h3-4,6,18H,1-2,5,7H2,(H2,17,21)(H,20,22) | PDB
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| 17 | 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 using [3H]NAD+ after 1 hr by scintillation counting |
Bioorg Med Chem 20: 4635-45 (2012)
Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50387917
(CHEMBL2058678 | US9283222, 467)Show InChI InChI=1S/C14H15FN4O/c15-10-4-3-8(6-11(10)16)7-12-13-9(2-1-5-17-13)14(20)19-18-12/h3-4,6,17H,1-2,5,7,16H2,(H,19,20) | PDB
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| 112 | 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 using [3H]NAD+ after 1 hr by scintillation counting |
Bioorg Med Chem 20: 4635-45 (2012)
Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50387919
(CHEMBL2058677 | US9283222, 414)Show InChI InChI=1S/C14H14FN3O/c15-10-5-3-9(4-6-10)8-12-13-11(2-1-7-16-13)14(19)18-17-12/h3-6,16H,1-2,7-8H2,(H,18,19) | PDB
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| 118 | 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 using [3H]NAD+ after 1 hr by scintillation counting |
Bioorg Med Chem 20: 4635-45 (2012)
Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50387915
(CHEMBL2058679 | US9283222, 464)Show InChI InChI=1S/C18H19FN4O2/c19-13-6-5-11(10-15(13)23-8-2-4-16(23)24)9-14-17-12(3-1-7-20-17)18(25)22-21-14/h5-6,10,20H,1-4,7-9H2,(H,22,25) | PDB
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| n/a | n/a | n/a | n/a | 11 | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 in H202-stimulated human C41 cells incubated for 30 mins prior to H2O2-treatment measured after 10 mins by FITC-based immunostain... |
Bioorg Med Chem 20: 4635-45 (2012)
Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50387918
(CHEMBL2058680 | US9283222, 459)Show InChI InChI=1S/C17H17FN4O2/c18-12-4-3-10(9-14(12)22-7-5-15(22)23)8-13-16-11(2-1-6-19-16)17(24)21-20-13/h3-4,9,19H,1-2,5-8H2,(H,21,24) | PDB
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| n/a | n/a | n/a | n/a | 22 | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 in H202-stimulated human C41 cells incubated for 30 mins prior to H2O2-treatment measured after 10 mins by FITC-based immunostain... |
Bioorg Med Chem 20: 4635-45 (2012)
Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50387916
(CHEMBL2058681)Show SMILES Oc1ccc(O)n1-c1cc(Cc2n[nH]c(=O)c3CCCNc23)ccc1F |(12.24,-8.93,;13.39,-9.95,;14.9,-9.63,;15.67,-10.96,;14.64,-12.11,;14.96,-13.61,;13.25,-11.48,;11.91,-12.25,;10.58,-11.49,;9.26,-12.26,;7.93,-11.49,;7.93,-9.95,;9.26,-9.18,;9.25,-7.64,;7.92,-6.88,;7.92,-5.34,;6.6,-7.65,;5.27,-6.87,;3.94,-7.65,;3.94,-9.19,;5.27,-9.95,;6.6,-9.18,;9.25,-13.8,;10.58,-14.57,;11.92,-13.8,;13.25,-14.57,)| Show InChI InChI=1S/C18H17FN4O3/c19-12-4-3-10(9-14(12)23-15(24)5-6-16(23)25)8-13-17-11(2-1-7-20-17)18(26)22-21-13/h3-6,9,20,24-25H,1-2,7-8H2,(H,22,26) | PDB
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| n/a | n/a | n/a | n/a | 56 | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 in H202-stimulated human C41 cells incubated for 30 mins prior to H2O2-treatment measured after 10 mins by FITC-based immunostain... |
Bioorg Med Chem 20: 4635-45 (2012)
Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50387914
(CHEMBL2058682 | US9283222, 507)Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1N1C(=O)CCCC1=O Show InChI InChI=1S/C19H19FN4O3/c20-13-7-6-11(10-15(13)24-16(25)4-1-5-17(24)26)9-14-18-12(3-2-8-21-18)19(27)23-22-14/h6-7,10,21H,1-5,8-9H2,(H,23,27) | PDB
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antibodypedia
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| n/a | n/a | n/a | n/a | 6 | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 in H202-stimulated human C41 cells incubated for 30 mins prior to H2O2-treatment measured after 10 mins by FITC-based immunostain... |
Bioorg Med Chem 20: 4635-45 (2012)
Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50387920
(CHEMBL2058683)Show SMILES Cc1[nH]c(=O)n(c1O)-c1cc(Cc2n[nH]c(=O)c3CCCNc23)ccc1F |(4.55,-21.26,;3.02,-21.1,;2.24,-19.77,;.74,-20.1,;-.41,-19.07,;.59,-21.62,;1.99,-22.25,;2.31,-23.76,;-.74,-22.4,;-2.07,-21.63,;-3.4,-22.4,;-4.73,-21.63,;-4.73,-20.09,;-3.4,-19.33,;-3.4,-17.78,;-4.73,-17.02,;-4.73,-15.48,;-6.05,-17.79,;-7.38,-17.01,;-8.71,-17.79,;-8.71,-19.33,;-7.38,-20.09,;-6.06,-19.32,;-3.41,-23.94,;-2.07,-24.71,;-.74,-23.94,;.6,-24.71,)| Show InChI InChI=1S/C18H18FN5O3/c1-9-17(26)24(18(27)21-9)14-8-10(4-5-12(14)19)7-13-15-11(3-2-6-20-15)16(25)23-22-13/h4-5,8,20,26H,2-3,6-7H2,1H3,(H,21,27)(H,23,25) | PDB
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antibodypedia
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| n/a | n/a | n/a | n/a | 271 | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 in H202-stimulated human C41 cells incubated for 30 mins prior to H2O2-treatment measured after 10 mins by FITC-based immunostain... |
Bioorg Med Chem 20: 4635-45 (2012)
Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50387922
(CHEMBL2058685 | US9283222, 476)Show SMILES COCCC(=O)Nc1cc(Cc2n[nH]c(=O)c3CCCNc23)ccc1F Show InChI InChI=1S/C18H21FN4O3/c1-26-8-6-16(24)21-14-9-11(4-5-13(14)19)10-15-17-12(3-2-7-20-17)18(25)23-22-15/h4-5,9,20H,2-3,6-8,10H2,1H3,(H,21,24)(H,23,25) | PDB
MMDB
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B.MOAD
antibodypedia
GoogleScholar
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| CHEMBL
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PC sid
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PubMed
| n/a | n/a | n/a | n/a | 134 | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 in H202-stimulated human C41 cells incubated for 30 mins prior to H2O2-treatment measured after 10 mins by FITC-based immunostain... |
Bioorg Med Chem 20: 4635-45 (2012)
Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50387923
(CHEMBL2058686 | US9283222, 477)Show SMILES CC(=O)CCCC(=O)Nc1cc(Cc2n[nH]c(=O)c3CCCNc23)ccc1F Show InChI InChI=1S/C20H23FN4O3/c1-12(26)4-2-6-18(27)23-16-10-13(7-8-15(16)21)11-17-19-14(5-3-9-22-19)20(28)25-24-17/h7-8,10,22H,2-6,9,11H2,1H3,(H,23,27)(H,25,28) | PDB
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| n/a | n/a | n/a | n/a | 27 | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 in H202-stimulated human C41 cells incubated for 30 mins prior to H2O2-treatment measured after 10 mins by FITC-based immunostain... |
Bioorg Med Chem 20: 4635-45 (2012)
Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50387924
(CHEMBL2058687 | US9283222, 474)Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1NC(=O)CCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C25H26FN5O3/c26-19-12-11-16(15-21-24-18(8-5-13-27-24)25(34)31-30-21)14-20(19)29-23(33)10-4-9-22(32)28-17-6-2-1-3-7-17/h1-3,6-7,11-12,14,27H,4-5,8-10,13,15H2,(H,28,32)(H,29,33)(H,31,34) | PDB
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antibodypedia
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| n/a | n/a | n/a | n/a | 16 | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 in H202-stimulated human C41 cells incubated for 30 mins prior to H2O2-treatment measured after 10 mins by FITC-based immunostain... |
Bioorg Med Chem 20: 4635-45 (2012)
Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50387925
(CHEMBL2058688 | US9283222, 479)Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1NC(=O)CCC(=O)c1ccccc1 Show InChI InChI=1S/C24H23FN4O3/c25-18-9-8-15(14-20-23-17(7-4-12-26-23)24(32)29-28-20)13-19(18)27-22(31)11-10-21(30)16-5-2-1-3-6-16/h1-3,5-6,8-9,13,26H,4,7,10-12,14H2,(H,27,31)(H,29,32) | PDB
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antibodypedia
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| n/a | n/a | n/a | n/a | 16 | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 in H202-stimulated human C41 cells incubated for 30 mins prior to H2O2-treatment measured after 10 mins by FITC-based immunostain... |
Bioorg Med Chem 20: 4635-45 (2012)
Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50387926
(CHEMBL2058689)Show InChI InChI=1S/C15H15FN4O2/c16-11-4-3-8(6-10(11)14(17)21)7-12-13-9(2-1-5-18-13)15(22)20-19-12/h3-4,6,18H,1-2,5,7H2,(H2,17,21)(H,20,22) | PDB
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antibodypedia
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| n/a | n/a | n/a | n/a | 122 | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 in H202-stimulated human C41 cells incubated for 30 mins prior to H2O2-treatment measured after 10 mins by FITC-based immunostain... |
Bioorg Med Chem 20: 4635-45 (2012)
Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50387947
(CHEMBL2058690 | US9283222, 470)Show InChI InChI=1S/C17H19FN4O2/c1-2-19-16(23)12-8-10(5-6-13(12)18)9-14-15-11(4-3-7-20-15)17(24)22-21-14/h5-6,8,20H,2-4,7,9H2,1H3,(H,19,23)(H,22,24) | PDB
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antibodypedia
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UniChem
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PubMed
| n/a | n/a | n/a | n/a | 45 | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 in H202-stimulated human C41 cells incubated for 30 mins prior to H2O2-treatment measured after 10 mins by FITC-based immunostain... |
Bioorg Med Chem 20: 4635-45 (2012)
Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50387927
(CHEMBL2058691 | US9283222, 484)Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)NC1CC1 Show InChI InChI=1S/C18H19FN4O2/c19-14-6-3-10(8-13(14)17(24)21-11-4-5-11)9-15-16-12(2-1-7-20-16)18(25)23-22-15/h3,6,8,11,20H,1-2,4-5,7,9H2,(H,21,24)(H,23,25) | PDB
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antibodypedia
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PubMed
| n/a | n/a | n/a | n/a | 82 | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 in H202-stimulated human C41 cells incubated for 30 mins prior to H2O2-treatment measured after 10 mins by FITC-based immunostain... |
Bioorg Med Chem 20: 4635-45 (2012)
Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50387928
(CHEMBL2058692 | US9283222, 472)Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)NCCN1CCCC1 Show InChI InChI=1S/C21H26FN5O2/c22-17-6-5-14(12-16(17)20(28)24-8-11-27-9-1-2-10-27)13-18-19-15(4-3-7-23-19)21(29)26-25-18/h5-6,12,23H,1-4,7-11,13H2,(H,24,28)(H,26,29) | PDB
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antibodypedia
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PubMed
| n/a | n/a | n/a | n/a | 111 | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 in H202-stimulated human C41 cells incubated for 30 mins prior to H2O2-treatment measured after 10 mins by FITC-based immunostain... |
Bioorg Med Chem 20: 4635-45 (2012)
Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50387929
(CHEMBL2058693 | US9283222, 563)Show SMILES CN1CCN(CCNC(=O)c2cc(Cc3n[nH]c(=O)c4CCCNc34)ccc2F)CC1 Show InChI InChI=1S/C22H29FN6O2/c1-28-9-11-29(12-10-28)8-7-25-21(30)17-13-15(4-5-18(17)23)14-19-20-16(3-2-6-24-20)22(31)27-26-19/h4-5,13,24H,2-3,6-12,14H2,1H3,(H,25,30)(H,27,31) | 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 | 290 | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 in H202-stimulated human C41 cells incubated for 30 mins prior to H2O2-treatment measured after 10 mins by FITC-based immunostain... |
Bioorg Med Chem 20: 4635-45 (2012)
Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7 |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50387931
(CHEMBL2058912 | US9283222, 708)Show SMILES NC1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3CCCNc23)ccc1F Show InChI InChI=1S/C20H24FN5O2/c21-16-4-3-12(10-15(16)20(28)26-8-5-13(22)6-9-26)11-17-18-14(2-1-7-23-18)19(27)25-24-17/h3-4,10,13,23H,1-2,5-9,11,22H2,(H,25,27) | PDB
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antibodypedia
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AffyNet
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PC cid
PC sid
UniChem
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PubMed
| n/a | n/a | n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PARP1 in H202-stimulated human C41 cells incubated for 30 mins prior to H2O2-treatment measured after 10 mins by FITC-based immunostain... |
Bioorg Med Chem 20: 4635-45 (2012)
Article DOI: 10.1016/j.bmc.2012.06.021
BindingDB Entry DOI: 10.7270/Q2PN96P7 |
More data for this
Ligand-Target Pair | |
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