Found 9 hits Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50318567' 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)) | BDBM50318567
(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)Show InChI InChI=1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20) | PDB MMDB
UniProtKB/SwissProt
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of PARP1 (unknown origin) |
J Med Chem 56: 1341-5 (2013)
Article DOI: 10.1021/jm301607v BindingDB Entry DOI: 10.7270/Q21N82DQ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50318567
(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)Show InChI InChI=1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20) | PDB MMDB
UniProtKB/SwissProt
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| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanyang Technological University
Curated by ChEMBL
| Assay Description Inhibition of PARP1 (unknown origin) |
J Med Chem 56: 4497-508 (2013)
Article DOI: 10.1021/jm400211f BindingDB Entry DOI: 10.7270/Q23R0V82 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50318567
(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)Show InChI InChI=1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20) | PDB MMDB
UniProtKB/SwissProt
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| n/a | n/a | 1.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of PARP1 autoPARsylation measuring nicotinamide concentration after 2 hrs by LC-MS analysis |
J Med Chem 55: 1127-36 (2012)
Article DOI: 10.1021/jm2011222 BindingDB Entry DOI: 10.7270/Q2BK1DCV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50318567
(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)Show InChI InChI=1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20) | PDB MMDB
UniProtKB/SwissProt
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| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description Inhibition of PARP1 (unknown origin) after 1 hr by spectrophotometry |
ACS Med Chem Lett 4: 1173-7 (2013)
Article DOI: 10.1021/ml400260b BindingDB Entry DOI: 10.7270/Q2XG9SKC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50318567
(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)Show InChI InChI=1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
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| n/a | n/a | 1.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of PARP1 (unknown origin) assessed as nicotinamide concentration by LC-MS analysis |
J Med Chem 56: 6495-511 (2013)
Article DOI: 10.1021/jm400807n BindingDB Entry DOI: 10.7270/Q24Q7WFB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50318567
(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)Show InChI InChI=1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
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| n/a | n/a | 1.37E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research Incorporated
Curated by ChEMBL
| Assay Description Inhibition of human PARP1 after 60 mins by LC-MS analysis |
J Med Chem 56: 7049-59 (2013)
Article DOI: 10.1021/jm400826j BindingDB Entry DOI: 10.7270/Q2KS6SZ5 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50318567
(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)Show InChI InChI=1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Abo Akademi University
Curated by ChEMBL
| Assay Description Inhibition of PARP1 |
J Med Chem 55: 1360-7 (2012)
Article DOI: 10.1021/jm201510p BindingDB Entry DOI: 10.7270/Q2WS8V8K |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50318567
(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)Show InChI InChI=1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description Inhibition of PARP1 (unknown origin) |
ACS Med Chem Lett 4: 1173-7 (2013)
Article DOI: 10.1021/ml400260b BindingDB Entry DOI: 10.7270/Q2XG9SKC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Poly [ADP-ribose] polymerase 1
(Homo sapiens (Human)) | BDBM50318567
(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)Show InChI InChI=1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20) | PDB MMDB
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | n/a | 620 | n/a | n/a | n/a | n/a | n/a |
Karolinska Institutet
Curated by ChEMBL
| Assay Description Binding affinity to PARP1 by isothermal titration calorimetry |
J Med Chem 53: 5352-5 (2010)
Article DOI: 10.1021/jm100249w BindingDB Entry DOI: 10.7270/Q2M32WQ5 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |