Found 44 hits for monomerid = 50318567 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Poly [ADP-ribose] polymerase tankyrase-2
(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
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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| n/a | n/a | 9.60 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description Inhibition of human tankyrase2 after 2 hrs 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 tankyrase-2
(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
UniProtKB/SwissProt
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abo Akademi University
Curated by ChEMBL
| Assay Description Inhibition of TNKS2 |
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) |
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)
(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
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description Inhibition of human recombinant IMPDH2 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 | |
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 UniProtKB/TrEMBL
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| 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 tankyrase-2
(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
UniProtKB/SwissProt
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description Inhibition of tankyrase2 (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 tankyrase-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
UniProtKB/SwissProt
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description Inhibition of tankyrase1 (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 tankyrase-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
UniProtKB/SwissProt
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Perugia
Curated by ChEMBL
| Assay Description Inhibition of TNKS-1 (unknown origin) by TCF/beta-catenin-dependent reporter assay |
J Med Chem 57: 2807-12 (2014)
Article DOI: 10.1021/jm401356t BindingDB Entry DOI: 10.7270/Q2W37XT9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Poly [ADP-ribose] polymerase tankyrase-2
(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
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Perugia
Curated by ChEMBL
| Assay Description Inhibition of TNKS-2 (unknown origin) by TCF/beta-catenin-dependent reporter assay |
J Med Chem 57: 2807-12 (2014)
Article DOI: 10.1021/jm401356t BindingDB Entry DOI: 10.7270/Q2W37XT9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Poly [ADP-ribose] polymerase tankyrase-2
(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
UniProtKB/SwissProt
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description Inhibition of human TNKS2 catalytic activity |
Bioorg Med Chem 23: 3013-32 (2015)
Article DOI: 10.1016/j.bmc.2015.05.005 BindingDB Entry DOI: 10.7270/Q2X35072 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Poly [ADP-ribose] polymerase tankyrase-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
UniProtKB/SwissProt
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description Inhibition of human TNKS1 catalytic activity |
Bioorg Med Chem 23: 3013-32 (2015)
Article DOI: 10.1016/j.bmc.2015.05.005 BindingDB Entry DOI: 10.7270/Q2X35072 |
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 UniProtKB/TrEMBL
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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) |
Protein Wnt-3a
(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
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of WNT3A signaling in HEK293 cells by luciferase reporter gene assay in presence of forskolin |
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 | |
Poly [ADP-ribose] polymerase 2
(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
KEGG
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| n/a | n/a | 106 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of PARP2 (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 | |
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 UniProtKB/TrEMBL
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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 2
(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
KEGG
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| Article PubMed
| n/a | n/a | 106 | 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 PARP2 (unknown origin) 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 | |
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 UniProtKB/TrEMBL
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| PDB Article PubMed
| 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 6
(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) | KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
antibodypedia GoogleScholar AffyNet
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| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanyang Technological University
Curated by ChEMBL
| Assay Description Inhibition of PARP6 (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 | |
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)
(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
KEGG
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanyang Technological University
Curated by ChEMBL
| Assay Description Inhibition of PARP3 (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 | |
Poly [ADP-ribose] polymerase 2
(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
KEGG
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanyang Technological University
Curated by ChEMBL
| Assay Description Inhibition of PARP2 (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 | |
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 UniProtKB/TrEMBL
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 | 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 UniProtKB/TrEMBL
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 | 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 2
(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
KEGG
UniProtKB/SwissProt
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of PARP2 (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 | |
Poly [ADP-ribose] polymerase tankyrase-2
(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
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of N-terminal His6-tagged human TNKS2 (946 to 1162 amino acid residues) after 60 mins by autoparsylation assay |
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 tankyrase-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
UniProtKB/SwissProt
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| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of N-terminal His6-tagged human TNKS1 (1091 to 1325 amino acid residues) after 60 mins by autoparsylation assay |
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 UniProtKB/TrEMBL
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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 2
(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
KEGG
UniProtKB/SwissProt
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| n/a | n/a | 134 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of PARP2 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 | |
Potassium voltage-gated channel subfamily H member 2
(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
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of human ERG by radioligand binding assay |
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 | |
Axin-2
(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) | Reactome pathway KEGG
UniProtKB/SwissProt
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| n/a | n/a | n/a | n/a | 371 | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Stabilization of Axin2 in human SW480 cells after 24 hrs by sandwich ELISA |
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 | |
Poly [ADP-ribose] polymerase tankyrase-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
UniProtKB/SwissProt
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of GST-tagged TNKS1P catalytic domain 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 tankyrase-2
(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
UniProtKB/SwissProt
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of GST-tagged TNKS2P catalytic domain 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) |
Protein Wnt-3a
(Mus musculus) | 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
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of mouse Wnt3A signaling in human HEK293 cells after 1 day by super top flash luciferase reporter gene assay |
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 | |
Cytochrome P450 2C9
(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
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
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| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 |
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 | |
Cytochrome P450 3A4
(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
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
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| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 |
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 | |
Poly [ADP-ribose] polymerase tankyrase-2
(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
UniProtKB/SwissProt
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Karolinska Institutet
Curated by ChEMBL
| Assay Description Inhibition of TNKS2 |
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) |
Poly [ADP-ribose] polymerase tankyrase-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
UniProtKB/SwissProt
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Karolinska Institutet
Curated by ChEMBL
| Assay Description Inhibition of TNKS1 |
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) |
Poly [ADP-ribose] polymerase tankyrase-2
(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
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a |
Karolinska Institutet
Curated by ChEMBL
| Assay Description Binding affinity to TNKS2 |
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) |
Poly [ADP-ribose] polymerase tankyrase-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
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a |
Karolinska Institutet
Curated by ChEMBL
| Assay Description Binding affinity to TNKS1 |
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) |
Poly [ADP-ribose] polymerase tankyrase-2
(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
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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| PDB Article PubMed
| n/a | n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a |
Karolinska Institutet
Curated by ChEMBL
| Assay Description Binding affinity to full-length human recombinant TNSK2 expressed in Escherichia coli 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) |
Poly [ADP-ribose] polymerase tankyrase-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
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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| PDB Article PubMed
| n/a | n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a |
Karolinska Institutet
Curated by ChEMBL
| Assay Description Binding affinity to human recombinant TNSK1 expressed in Escherichia coli 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) |
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 UniProtKB/TrEMBL
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| 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) |
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 UniProtKB/TrEMBL
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| 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 2
(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
KEGG
UniProtKB/SwissProt
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 114 | n/a | n/a | n/a | n/a | n/a | n/a |
Abo Akademi University
Curated by ChEMBL
| Assay Description Inhibition of PARP2 |
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 | |
Poly [ADP-ribose] polymerase tankyrase-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
UniProtKB/SwissProt
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Abo Akademi University
Curated by ChEMBL
| Assay Description Inhibition of TNKS1 |
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 tankyrase-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
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL MCE MMDB PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bath
Curated by ChEMBL
| Assay Description Inhibition of human tankyrase1 after 30 mins 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) |