Found 114 hits Enz. Inhib. hit(s) with all data for entry = 50049298 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 tankyrase-1
(Homo sapiens (Human)) | BDBM50238434
(CHEMBL4098952)Show SMILES O=C(N1CCN(CC1)c1ccncn1)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1 Show InChI InChI=1S/C23H20N10O/c34-23(32-13-11-31(12-14-32)20-9-10-24-15-25-20)16-5-7-17(8-6-16)26-21-22-28-29-30-33(22)19-4-2-1-3-18(19)27-21/h1-10,15H,11-14H2,(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
A GlaxoSmithKline Company
Curated by ChEMBL
| Assay Description
Binding affinity to TNKS1 in human HeLa cell extract after 2 hrs by HTS assay |
J Med Chem 60: 5455-5471 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00137
BindingDB Entry DOI: 10.7270/Q2X350RS |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50238419
(CHEMBL4060134)Show SMILES Cn1cnc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1 Show InChI InChI=1S/C24H22N10O2/c1-31-14-19(25-15-31)24(36)33-12-10-32(11-13-33)23(35)16-6-8-17(9-7-16)26-21-22-28-29-30-34(22)20-5-3-2-4-18(20)27-21/h2-9,14-15H,10-13H2,1H3,(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
A GlaxoSmithKline Company
Curated by ChEMBL
| Assay Description
Binding affinity to TNKS1 in human HeLa cell extract after 2 hrs by HTS assay |
J Med Chem 60: 5455-5471 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00137
BindingDB Entry DOI: 10.7270/Q2X350RS |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50238417
(CHEMBL4094551)Show SMILES O=C(N1CCN(CC1)C(=O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1)c1c[nH]cn1 Show InChI InChI=1S/C23H20N10O2/c34-22(31-9-11-32(12-10-31)23(35)18-13-24-14-25-18)15-5-7-16(8-6-15)26-20-21-28-29-30-33(21)19-4-2-1-3-17(19)27-20/h1-8,13-14H,9-12H2,(H,24,25)(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
A GlaxoSmithKline Company
Curated by ChEMBL
| Assay Description
Binding affinity to TNKS1 in human HeLa cell extract after 2 hrs by HTS assay |
J Med Chem 60: 5455-5471 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00137
BindingDB Entry DOI: 10.7270/Q2X350RS |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50238434
(CHEMBL4098952)Show SMILES O=C(N1CCN(CC1)c1ccncn1)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1 Show InChI InChI=1S/C23H20N10O/c34-23(32-13-11-31(12-14-32)20-9-10-24-15-25-20)16-5-7-17(8-6-16)26-21-22-28-29-30-33(22)19-4-2-1-3-18(19)27-21/h1-10,15H,11-14H2,(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
A GlaxoSmithKline Company
Curated by ChEMBL
| Assay Description
Inhibition of TNKS1 (unknown origin) expressed in HEK293 cells co-expressing TCF/LEF luciferase plasmid assessed as reduction in wnt3a ligand-induced... |
J Med Chem 60: 5455-5471 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00137
BindingDB Entry DOI: 10.7270/Q2X350RS |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50238433
(CHEMBL4080918)Show SMILES O=C(N1CCN(CC1)c1ccncc1)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1 Show InChI InChI=1S/C24H21N9O/c34-24(32-15-13-31(14-16-32)19-9-11-25-12-10-19)17-5-7-18(8-6-17)26-22-23-28-29-30-33(23)21-4-2-1-3-20(21)27-22/h1-12H,13-16H2,(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
A GlaxoSmithKline Company
Curated by ChEMBL
| Assay Description
Binding affinity to TNKS1 in human HeLa cell extract after 2 hrs by HTS assay |
J Med Chem 60: 5455-5471 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00137
BindingDB Entry DOI: 10.7270/Q2X350RS |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50238449
(CHEMBL4089774)Show InChI InChI=1S/C18H15N7O2/c26-16-11-27-10-9-24(16)13-7-5-12(6-8-13)19-17-18-21-22-23-25(18)15-4-2-1-3-14(15)20-17/h1-8H,9-11H2,(H,19,20) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
A GlaxoSmithKline Company
Curated by ChEMBL
| Assay Description
Binding affinity to TNKS1 in human HeLa cell extract after 2 hrs by HTS assay |
J Med Chem 60: 5455-5471 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00137
BindingDB Entry DOI: 10.7270/Q2X350RS |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50238448
(CHEMBL4083872)Show InChI InChI=1S/C18H15N7O/c26-16-6-3-11-24(16)13-9-7-12(8-10-13)19-17-18-21-22-23-25(18)15-5-2-1-4-14(15)20-17/h1-2,4-5,7-10H,3,6,11H2,(H,19,20) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
A GlaxoSmithKline Company
Curated by ChEMBL
| Assay Description
Binding affinity to TNKS1 in human HeLa cell extract after 2 hrs by HTS assay |
J Med Chem 60: 5455-5471 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00137
BindingDB Entry DOI: 10.7270/Q2X350RS |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50238418
(CHEMBL4096094)Show SMILES Cn1ccc(n1)C(=O)N1CCN(CC1)C(=O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1 Show InChI InChI=1S/C24H22N10O2/c1-31-11-10-19(28-31)24(36)33-14-12-32(13-15-33)23(35)16-6-8-17(9-7-16)25-21-22-27-29-30-34(22)20-5-3-2-4-18(20)26-21/h2-11H,12-15H2,1H3,(H,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
A GlaxoSmithKline Company
Curated by ChEMBL
| Assay Description
Binding affinity to TNKS1 in human HeLa cell extract after 2 hrs by HTS assay |
J Med Chem 60: 5455-5471 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00137
BindingDB Entry DOI: 10.7270/Q2X350RS |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50238416
(CHEMBL4087470)Show SMILES O=C(N1CCN(CC1)c1ncccn1)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1 Show InChI InChI=1S/C23H20N10O/c34-22(31-12-14-32(15-13-31)23-24-10-3-11-25-23)16-6-8-17(9-7-16)26-20-21-28-29-30-33(21)19-5-2-1-4-18(19)27-20/h1-11H,12-15H2,(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
A GlaxoSmithKline Company
Curated by ChEMBL
| Assay Description
Binding affinity to TNKS1 in human HeLa cell extract after 2 hrs by HTS assay |
J Med Chem 60: 5455-5471 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00137
BindingDB Entry DOI: 10.7270/Q2X350RS |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50238437
(CHEMBL4068794)Show SMILES O=C(N1CCN(CC1)C(=O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1)c1cc[nH]n1 Show InChI InChI=1S/C23H20N10O2/c34-22(31-11-13-32(14-12-31)23(35)18-9-10-24-27-18)15-5-7-16(8-6-15)25-20-21-28-29-30-33(21)19-4-2-1-3-17(19)26-20/h1-10H,11-14H2,(H,24,27)(H,25,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
A GlaxoSmithKline Company
Curated by ChEMBL
| Assay Description
Binding affinity to TNKS1 in human HeLa cell extract after 2 hrs by HTS assay |
J Med Chem 60: 5455-5471 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00137
BindingDB Entry DOI: 10.7270/Q2X350RS |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50238447
(CHEMBL4101869)Show InChI InChI=1S/C17H15N7O/c1-11(25)23(2)13-9-7-12(8-10-13)18-16-17-20-21-22-24(17)15-6-4-3-5-14(15)19-16/h3-10H,1-2H3,(H,18,19) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
A GlaxoSmithKline Company
Curated by ChEMBL
| Assay Description
Binding affinity against calf intestine adenosine deaminase enzyme |
J Med Chem 60: 5455-5471 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00137
BindingDB Entry DOI: 10.7270/Q2X350RS |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50238422
(CHEMBL4098529)Show SMILES CC(=O)N1CCN(CC1)C(=O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1 Show InChI InChI=1S/C21H20N8O2/c1-14(30)27-10-12-28(13-11-27)21(31)15-6-8-16(9-7-15)22-19-20-24-25-26-29(20)18-5-3-2-4-17(18)23-19/h2-9H,10-13H2,1H3,(H,22,23) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
A GlaxoSmithKline Company
Curated by ChEMBL
| Assay Description
Binding affinity to TNKS1 in human HeLa cell extract after 2 hrs by HTS assay |
J Med Chem 60: 5455-5471 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00137
BindingDB Entry DOI: 10.7270/Q2X350RS |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50238416
(CHEMBL4087470)Show SMILES O=C(N1CCN(CC1)c1ncccn1)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1 Show InChI InChI=1S/C23H20N10O/c34-22(31-12-14-32(15-13-31)23-24-10-3-11-25-23)16-6-8-17(9-7-16)26-20-21-28-29-30-33(21)19-5-2-1-4-18(19)27-20/h1-11H,12-15H2,(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
A GlaxoSmithKline Company
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged TNKS1 (1091 to 1325 residues) (unknown origin) assessed as reduction in PARsylation of GST-tev-Axin2 preincubated for 30 min... |
J Med Chem 60: 5455-5471 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00137
BindingDB Entry DOI: 10.7270/Q2X350RS |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50238436
(CHEMBL4079594)Show SMILES O=C(N1CCN(CC1)C(=O)c1ncccn1)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1 Show InChI InChI=1S/C24H20N10O2/c35-23(32-12-14-33(15-13-32)24(36)21-25-10-3-11-26-21)16-6-8-17(9-7-16)27-20-22-29-30-31-34(22)19-5-2-1-4-18(19)28-20/h1-11H,12-15H2,(H,27,28) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
A GlaxoSmithKline Company
Curated by ChEMBL
| Assay Description
Binding affinity to TNKS1 in human HeLa cell extract after 2 hrs by HTS assay |
J Med Chem 60: 5455-5471 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00137
BindingDB Entry DOI: 10.7270/Q2X350RS |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50238427
(CHEMBL4066552)Show SMILES COCCN(C)C(=O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1 Show InChI InChI=1S/C19H19N7O2/c1-25(11-12-28-2)19(27)13-7-9-14(10-8-13)20-17-18-22-23-24-26(18)16-6-4-3-5-15(16)21-17/h3-10H,11-12H2,1-2H3,(H,20,21) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
A GlaxoSmithKline Company
Curated by ChEMBL
| Assay Description
Binding affinity to TNKS1 in human HeLa cell extract after 2 hrs by HTS assay |
J Med Chem 60: 5455-5471 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00137
BindingDB Entry DOI: 10.7270/Q2X350RS |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50238416
(CHEMBL4087470)Show SMILES O=C(N1CCN(CC1)c1ncccn1)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1 Show InChI InChI=1S/C23H20N10O/c34-22(31-12-14-32(15-13-31)23-24-10-3-11-25-23)16-6-8-17(9-7-16)26-20-21-28-29-30-33(21)19-5-2-1-4-18(19)27-20/h1-11H,12-15H2,(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
A GlaxoSmithKline Company
Curated by ChEMBL
| Assay Description
Inhibition of TNKS1 (unknown origin) expressed in HEK293 cells co-expressing TCF/LEF luciferase plasmid assessed as reduction in wnt3a ligand-induced... |
J Med Chem 60: 5455-5471 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00137
BindingDB Entry DOI: 10.7270/Q2X350RS |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50238446
(CHEMBL4073498)Show InChI InChI=1S/C16H13N7O/c1-10(24)17-11-6-8-12(9-7-11)18-15-16-20-21-22-23(16)14-5-3-2-4-13(14)19-15/h2-9H,1H3,(H,17,24)(H,18,19) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
A GlaxoSmithKline Company
Curated by ChEMBL
| Assay Description
Binding affinity to TNKS1 in human HeLa cell extract after 2 hrs by HTS assay |
J Med Chem 60: 5455-5471 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00137
BindingDB Entry DOI: 10.7270/Q2X350RS |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50238430
(CHEMBL4096495)Show SMILES O=C(C1CC1)N1CCN(CC1)C(=O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1 Show InChI InChI=1S/C23H22N8O2/c32-22(15-5-6-15)29-11-13-30(14-12-29)23(33)16-7-9-17(10-8-16)24-20-21-26-27-28-31(21)19-4-2-1-3-18(19)25-20/h1-4,7-10,15H,5-6,11-14H2,(H,24,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
A GlaxoSmithKline Company
Curated by ChEMBL
| Assay Description
Binding affinity to TNKS1 in human HeLa cell extract after 2 hrs by HTS assay |
J Med Chem 60: 5455-5471 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00137
BindingDB Entry DOI: 10.7270/Q2X350RS |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50238435
(CHEMBL4066095)Show SMILES O=C(C1CCOCC1)N1CCN(CC1)C(=O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1 Show InChI InChI=1S/C25H26N8O3/c34-24(31-11-13-32(14-12-31)25(35)18-9-15-36-16-10-18)17-5-7-19(8-6-17)26-22-23-28-29-30-33(23)21-4-2-1-3-20(21)27-22/h1-8,18H,9-16H2,(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
A GlaxoSmithKline Company
Curated by ChEMBL
| Assay Description
Binding affinity to TNKS1 in human HeLa cell extract after 2 hrs by HTS assay |
J Med Chem 60: 5455-5471 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00137
BindingDB Entry DOI: 10.7270/Q2X350RS |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50238414
(CHEMBL4079993)Show SMILES O=C(N1CCN(CC1)c1cccnc1)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1 Show InChI InChI=1S/C24H21N9O/c34-24(32-14-12-31(13-15-32)19-4-3-11-25-16-19)17-7-9-18(10-8-17)26-22-23-28-29-30-33(23)21-6-2-1-5-20(21)27-22/h1-11,16H,12-15H2,(H,26,27) | PDB
UniProtKB/SwissProt
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A GlaxoSmithKline Company
Curated by ChEMBL
| Assay Description
Binding affinity to TNKS1 in human HeLa cell extract after 2 hrs by HTS assay |
J Med Chem 60: 5455-5471 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00137
BindingDB Entry DOI: 10.7270/Q2X350RS |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50238421
(CHEMBL4088369)Show SMILES Cn1cncc1C(=O)N1CCN(CC1)C(=O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1 Show InChI InChI=1S/C24H22N10O2/c1-31-15-25-14-20(31)24(36)33-12-10-32(11-13-33)23(35)16-6-8-17(9-7-16)26-21-22-28-29-30-34(22)19-5-3-2-4-18(19)27-21/h2-9,14-15H,10-13H2,1H3,(H,26,27) | PDB
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A GlaxoSmithKline Company
Curated by ChEMBL
| Assay Description
Binding affinity to TNKS1 in human HeLa cell extract after 2 hrs by HTS assay |
J Med Chem 60: 5455-5471 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00137
BindingDB Entry DOI: 10.7270/Q2X350RS |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50238431
(CHEMBL4069265)Show SMILES O=C(N1CCN(CC1)C1CCOCC1)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1 Show InChI InChI=1S/C24H26N8O2/c33-24(31-13-11-30(12-14-31)19-9-15-34-16-10-19)17-5-7-18(8-6-17)25-22-23-27-28-29-32(23)21-4-2-1-3-20(21)26-22/h1-8,19H,9-16H2,(H,25,26) | PDB
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A GlaxoSmithKline Company
Curated by ChEMBL
| Assay Description
Binding affinity to TNKS1 in human HeLa cell extract after 2 hrs by HTS assay |
J Med Chem 60: 5455-5471 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00137
BindingDB Entry DOI: 10.7270/Q2X350RS |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50238419
(CHEMBL4060134)Show SMILES Cn1cnc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1 Show InChI InChI=1S/C24H22N10O2/c1-31-14-19(25-15-31)24(36)33-12-10-32(11-13-33)23(35)16-6-8-17(9-7-16)26-21-22-28-29-30-34(22)20-5-3-2-4-18(20)27-21/h2-9,14-15H,10-13H2,1H3,(H,26,27) | PDB
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A GlaxoSmithKline Company
Curated by ChEMBL
| Assay Description
Inhibition of His-tagged TNKS1 (1091 to 1325 residues) (unknown origin) assessed as reduction in PARsylation of GST-tev-Axin2 preincubated for 30 min... |
J Med Chem 60: 5455-5471 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00137
BindingDB Entry DOI: 10.7270/Q2X350RS |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50238419
(CHEMBL4060134)Show SMILES Cn1cnc(c1)C(=O)N1CCN(CC1)C(=O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1 Show InChI InChI=1S/C24H22N10O2/c1-31-14-19(25-15-31)24(36)33-12-10-32(11-13-33)23(35)16-6-8-17(9-7-16)26-21-22-28-29-30-34(22)20-5-3-2-4-18(20)27-21/h2-9,14-15H,10-13H2,1H3,(H,26,27) | PDB
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A GlaxoSmithKline Company
Curated by ChEMBL
| Assay Description
Inhibition of TNKS1 (unknown origin) expressed in HEK293 cells co-expressing TCF/LEF luciferase plasmid assessed as reduction in wnt3a ligand-induced... |
J Med Chem 60: 5455-5471 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00137
BindingDB Entry DOI: 10.7270/Q2X350RS |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50238432
(CHEMBL4104232)Show SMILES O=C(N1CCN(CC1)c1ccccn1)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1 Show InChI InChI=1S/C24H21N9O/c34-24(32-15-13-31(14-16-32)21-7-3-4-12-25-21)17-8-10-18(11-9-17)26-22-23-28-29-30-33(23)20-6-2-1-5-19(20)27-22/h1-12H,13-16H2,(H,26,27) | PDB
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A GlaxoSmithKline Company
Curated by ChEMBL
| Assay Description
Binding affinity to TNKS1 in human HeLa cell extract after 2 hrs by HTS assay |
J Med Chem 60: 5455-5471 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00137
BindingDB Entry DOI: 10.7270/Q2X350RS |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50238428
(CHEMBL4087876)Show SMILES O=C(N1CCOCC1)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1 Show InChI InChI=1S/C19H17N7O2/c27-19(25-9-11-28-12-10-25)13-5-7-14(8-6-13)20-17-18-22-23-24-26(18)16-4-2-1-3-15(16)21-17/h1-8H,9-12H2,(H,20,21) | PDB
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A GlaxoSmithKline Company
Curated by ChEMBL
| Assay Description
Binding affinity to TNKS1 in human HeLa cell extract after 2 hrs by HTS assay |
J Med Chem 60: 5455-5471 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00137
BindingDB Entry DOI: 10.7270/Q2X350RS |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50238424
(CHEMBL4077695)Show SMILES O=C(N1CCNCC1)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1 Show InChI InChI=1S/C19H18N8O/c28-19(26-11-9-20-10-12-26)13-5-7-14(8-6-13)21-17-18-23-24-25-27(18)16-4-2-1-3-15(16)22-17/h1-8,20H,9-12H2,(H,21,22) | PDB
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A GlaxoSmithKline Company
Curated by ChEMBL
| Assay Description
Binding affinity to TNKS1 in human HeLa cell extract after 2 hrs by HTS assay |
J Med Chem 60: 5455-5471 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00137
BindingDB Entry DOI: 10.7270/Q2X350RS |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50238413
(CHEMBL4075167)Show SMILES O=C(N1CCCCC1)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1 Show InChI InChI=1S/C20H19N7O/c28-20(26-12-4-1-5-13-26)14-8-10-15(11-9-14)21-18-19-23-24-25-27(19)17-7-3-2-6-16(17)22-18/h2-3,6-11H,1,4-5,12-13H2,(H,21,22) | PDB
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A GlaxoSmithKline Company
Curated by ChEMBL
| Assay Description
Binding affinity to TNKS1 in human HeLa cell extract after 2 hrs by HTS assay |
J Med Chem 60: 5455-5471 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00137
BindingDB Entry DOI: 10.7270/Q2X350RS |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50238414
(CHEMBL4079993)Show SMILES O=C(N1CCN(CC1)c1cccnc1)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1 Show InChI InChI=1S/C24H21N9O/c34-24(32-14-12-31(13-15-32)19-4-3-11-25-16-19)17-7-9-18(10-8-17)26-22-23-28-29-30-33(23)21-6-2-1-5-20(21)27-22/h1-11,16H,12-15H2,(H,26,27) | PDB
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A GlaxoSmithKline Company
Curated by ChEMBL
| Assay Description
Inhibition of TNKS1 (unknown origin) expressed in HEK293 cells co-expressing TCF/LEF luciferase plasmid assessed as reduction in wnt3a ligand-induced... |
J Med Chem 60: 5455-5471 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00137
BindingDB Entry DOI: 10.7270/Q2X350RS |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50238445
(CHEMBL1516121)Show InChI InChI=1S/C16H15N7/c1-22(2)12-9-7-11(8-10-12)17-15-16-19-20-21-23(16)14-6-4-3-5-13(14)18-15/h3-10H,1-2H3,(H,17,18) | PDB
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A GlaxoSmithKline Company
Curated by ChEMBL
| Assay Description
Binding affinity to TNKS1 in human HeLa cell extract after 2 hrs by HTS assay |
J Med Chem 60: 5455-5471 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00137
BindingDB Entry DOI: 10.7270/Q2X350RS |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50238427
(CHEMBL4066552)Show SMILES COCCN(C)C(=O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1 Show InChI InChI=1S/C19H19N7O2/c1-25(11-12-28-2)19(27)13-7-9-14(10-8-13)20-17-18-22-23-24-26(18)16-6-4-3-5-15(16)21-17/h3-10H,11-12H2,1-2H3,(H,20,21) | PDB
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A GlaxoSmithKline Company
Curated by ChEMBL
| Assay Description
Inhibition of TNKS1 (unknown origin) expressed in HEK293 cells co-expressing TCF/LEF luciferase plasmid assessed as reduction in wnt3a ligand-induced... |
J Med Chem 60: 5455-5471 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00137
BindingDB Entry DOI: 10.7270/Q2X350RS |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50238447
(CHEMBL4101869)Show InChI InChI=1S/C17H15N7O/c1-11(25)23(2)13-9-7-12(8-10-13)18-16-17-20-21-22-24(17)15-6-4-3-5-14(15)19-16/h3-10H,1-2H3,(H,18,19) | PDB
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A GlaxoSmithKline Company
Curated by ChEMBL
| Assay Description
Inhibition of TNKS1 (unknown origin) expressed in HEK293 cells co-expressing TCF/LEF luciferase plasmid assessed as reduction in wnt3a ligand-induced... |
J Med Chem 60: 5455-5471 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00137
BindingDB Entry DOI: 10.7270/Q2X350RS |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50238418
(CHEMBL4096094)Show SMILES Cn1ccc(n1)C(=O)N1CCN(CC1)C(=O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1 Show InChI InChI=1S/C24H22N10O2/c1-31-11-10-19(28-31)24(36)33-14-12-32(13-15-33)23(35)16-6-8-17(9-7-16)25-21-22-27-29-30-34(22)20-5-3-2-4-18(20)26-21/h2-11H,12-15H2,1H3,(H,25,26) | PDB
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A GlaxoSmithKline Company
Curated by ChEMBL
| Assay Description
Inhibitory activity against human thymidylate synthase with variable concentration of N5, 10-CH2-H4PteGlu and fixed dUMP (100 uM) |
J Med Chem 60: 5455-5471 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00137
BindingDB Entry DOI: 10.7270/Q2X350RS |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50238448
(CHEMBL4083872)Show InChI InChI=1S/C18H15N7O/c26-16-6-3-11-24(16)13-9-7-12(8-10-13)19-17-18-21-22-23-25(18)15-5-2-1-4-14(15)20-17/h1-2,4-5,7-10H,3,6,11H2,(H,19,20) | PDB
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A GlaxoSmithKline Company
Curated by ChEMBL
| Assay Description
Inhibition of TNKS1 (unknown origin) expressed in HEK293 cells co-expressing TCF/LEF luciferase plasmid assessed as reduction in wnt3a ligand-induced... |
J Med Chem 60: 5455-5471 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00137
BindingDB Entry DOI: 10.7270/Q2X350RS |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50238432
(CHEMBL4104232)Show SMILES O=C(N1CCN(CC1)c1ccccn1)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1 Show InChI InChI=1S/C24H21N9O/c34-24(32-15-13-31(14-16-32)21-7-3-4-12-25-21)17-8-10-18(11-9-17)26-22-23-28-29-30-33(23)20-6-2-1-5-19(20)27-22/h1-12H,13-16H2,(H,26,27) | PDB
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A GlaxoSmithKline Company
Curated by ChEMBL
| Assay Description
Inhibition of TNKS1 (unknown origin) expressed in HEK293 cells co-expressing TCF/LEF luciferase plasmid assessed as reduction in wnt3a ligand-induced... |
J Med Chem 60: 5455-5471 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00137
BindingDB Entry DOI: 10.7270/Q2X350RS |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50238449
(CHEMBL4089774)Show InChI InChI=1S/C18H15N7O2/c26-16-11-27-10-9-24(16)13-7-5-12(6-8-13)19-17-18-21-22-23-25(18)15-4-2-1-3-14(15)20-17/h1-8H,9-11H2,(H,19,20) | PDB
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A GlaxoSmithKline Company
Curated by ChEMBL
| Assay Description
Inhibition of TNKS1 (unknown origin) expressed in HEK293 cells co-expressing TCF/LEF luciferase plasmid assessed as reduction in wnt3a ligand-induced... |
J Med Chem 60: 5455-5471 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00137
BindingDB Entry DOI: 10.7270/Q2X350RS |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50238422
(CHEMBL4098529)Show SMILES CC(=O)N1CCN(CC1)C(=O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1 Show InChI InChI=1S/C21H20N8O2/c1-14(30)27-10-12-28(13-11-27)21(31)15-6-8-16(9-7-15)22-19-20-24-25-26-29(20)18-5-3-2-4-17(18)23-19/h2-9H,10-13H2,1H3,(H,22,23) | PDB
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A GlaxoSmithKline Company
Curated by ChEMBL
| Assay Description
Inhibition of TNKS1 (unknown origin) expressed in HEK293 cells co-expressing TCF/LEF luciferase plasmid assessed as reduction in wnt3a ligand-induced... |
J Med Chem 60: 5455-5471 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00137
BindingDB Entry DOI: 10.7270/Q2X350RS |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50238433
(CHEMBL4080918)Show SMILES O=C(N1CCN(CC1)c1ccncc1)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1 Show InChI InChI=1S/C24H21N9O/c34-24(32-15-13-31(14-16-32)19-9-11-25-12-10-19)17-5-7-18(8-6-17)26-22-23-28-29-30-33(23)21-4-2-1-3-20(21)27-22/h1-12H,13-16H2,(H,26,27) | PDB
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A GlaxoSmithKline Company
Curated by ChEMBL
| Assay Description
Inhibition of TNKS1 (unknown origin) expressed in HEK293 cells co-expressing TCF/LEF luciferase plasmid assessed as reduction in wnt3a ligand-induced... |
J Med Chem 60: 5455-5471 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00137
BindingDB Entry DOI: 10.7270/Q2X350RS |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50238425
(CHEMBL4064332)Show InChI InChI=1S/C17H16N6/c1-11(2)12-7-9-13(10-8-12)18-16-17-20-21-22-23(17)15-6-4-3-5-14(15)19-16/h3-11H,1-2H3,(H,18,19) | PDB
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A GlaxoSmithKline Company
Curated by ChEMBL
| Assay Description
Binding affinity to TNKS1 in human HeLa cell extract after 2 hrs by HTS assay |
J Med Chem 60: 5455-5471 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00137
BindingDB Entry DOI: 10.7270/Q2X350RS |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50238440
(CHEMBL1503900)Show InChI InChI=1S/C15H12N6/c1-10-6-8-11(9-7-10)16-14-15-18-19-20-21(15)13-5-3-2-4-12(13)17-14/h2-9H,1H3,(H,16,17) | PDB
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A GlaxoSmithKline Company
Curated by ChEMBL
| Assay Description
Binding affinity to TNKS1 in human HeLa cell extract after 2 hrs by HTS assay |
J Med Chem 60: 5455-5471 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00137
BindingDB Entry DOI: 10.7270/Q2X350RS |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50238437
(CHEMBL4068794)Show SMILES O=C(N1CCN(CC1)C(=O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1)c1cc[nH]n1 Show InChI InChI=1S/C23H20N10O2/c34-22(31-11-13-32(14-12-31)23(35)18-9-10-24-27-18)15-5-7-16(8-6-15)25-20-21-28-29-30-33(21)19-4-2-1-3-17(19)26-20/h1-10H,11-14H2,(H,24,27)(H,25,26) | PDB
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A GlaxoSmithKline Company
Curated by ChEMBL
| Assay Description
Inhibition of TNKS1 (unknown origin) expressed in HEK293 cells co-expressing TCF/LEF luciferase plasmid assessed as reduction in wnt3a ligand-induced... |
J Med Chem 60: 5455-5471 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00137
BindingDB Entry DOI: 10.7270/Q2X350RS |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50238428
(CHEMBL4087876)Show SMILES O=C(N1CCOCC1)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1 Show InChI InChI=1S/C19H17N7O2/c27-19(25-9-11-28-12-10-25)13-5-7-14(8-6-13)20-17-18-22-23-24-26(18)16-4-2-1-3-15(16)21-17/h1-8H,9-12H2,(H,20,21) | PDB
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A GlaxoSmithKline Company
Curated by ChEMBL
| Assay Description
Inhibition of TNKS1 (unknown origin) expressed in HEK293 cells co-expressing TCF/LEF luciferase plasmid assessed as reduction in wnt3a ligand-induced... |
J Med Chem 60: 5455-5471 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00137
BindingDB Entry DOI: 10.7270/Q2X350RS |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50238442
(CHEMBL4078510)Show InChI InChI=1S/C15H9N7/c16-9-10-5-7-11(8-6-10)17-14-15-19-20-21-22(15)13-4-2-1-3-12(13)18-14/h1-8H,(H,17,18) | PDB
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A GlaxoSmithKline Company
Curated by ChEMBL
| Assay Description
Binding affinity to TNKS1 in human HeLa cell extract after 2 hrs by HTS assay |
J Med Chem 60: 5455-5471 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00137
BindingDB Entry DOI: 10.7270/Q2X350RS |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50238426
(CHEMBL4068660)Show InChI InChI=1S/C18H17N7O2/c1-27-11-10-19-18(26)12-6-8-13(9-7-12)20-16-17-22-23-24-25(17)15-5-3-2-4-14(15)21-16/h2-9H,10-11H2,1H3,(H,19,26)(H,20,21) | PDB
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A GlaxoSmithKline Company
Curated by ChEMBL
| Assay Description
Binding affinity to TNKS1 in human HeLa cell extract after 2 hrs by HTS assay |
J Med Chem 60: 5455-5471 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00137
BindingDB Entry DOI: 10.7270/Q2X350RS |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50238435
(CHEMBL4066095)Show SMILES O=C(C1CCOCC1)N1CCN(CC1)C(=O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1 Show InChI InChI=1S/C25H26N8O3/c34-24(31-11-13-32(14-12-31)25(35)18-9-15-36-16-10-18)17-5-7-19(8-6-17)26-22-23-28-29-30-33(23)21-4-2-1-3-20(21)27-22/h1-8,18H,9-16H2,(H,26,27) | PDB
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A GlaxoSmithKline Company
Curated by ChEMBL
| Assay Description
Inhibition of TNKS1 (unknown origin) expressed in HEK293 cells co-expressing TCF/LEF luciferase plasmid assessed as reduction in wnt3a ligand-induced... |
J Med Chem 60: 5455-5471 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00137
BindingDB Entry DOI: 10.7270/Q2X350RS |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50238425
(CHEMBL4064332)Show InChI InChI=1S/C17H16N6/c1-11(2)12-7-9-13(10-8-12)18-16-17-20-21-22-23(17)15-6-4-3-5-14(15)19-16/h3-11H,1-2H3,(H,18,19) | PDB
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A GlaxoSmithKline Company
Curated by ChEMBL
| Assay Description
Inhibition of TNKS1 (unknown origin) expressed in HEK293 cells co-expressing TCF/LEF luciferase plasmid assessed as reduction in wnt3a ligand-induced... |
J Med Chem 60: 5455-5471 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00137
BindingDB Entry DOI: 10.7270/Q2X350RS |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50238446
(CHEMBL4073498)Show InChI InChI=1S/C16H13N7O/c1-10(24)17-11-6-8-12(9-7-11)18-15-16-20-21-22-23(16)14-5-3-2-4-13(14)19-15/h2-9H,1H3,(H,17,24)(H,18,19) | PDB
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A GlaxoSmithKline Company
Curated by ChEMBL
| Assay Description
Inhibition of TNKS1 (unknown origin) expressed in HEK293 cells co-expressing TCF/LEF luciferase plasmid assessed as reduction in wnt3a ligand-induced... |
J Med Chem 60: 5455-5471 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00137
BindingDB Entry DOI: 10.7270/Q2X350RS |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50238417
(CHEMBL4094551)Show SMILES O=C(N1CCN(CC1)C(=O)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1)c1c[nH]cn1 Show InChI InChI=1S/C23H20N10O2/c34-22(31-9-11-32(12-10-31)23(35)18-13-24-14-25-18)15-5-7-16(8-6-15)26-20-21-28-29-30-33(21)19-4-2-1-3-17(19)27-20/h1-8,13-14H,9-12H2,(H,24,25)(H,26,27) | PDB
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A GlaxoSmithKline Company
Curated by ChEMBL
| Assay Description
Inhibition of TNKS1 (unknown origin) expressed in HEK293 cells co-expressing TCF/LEF luciferase plasmid assessed as reduction in wnt3a ligand-induced... |
J Med Chem 60: 5455-5471 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00137
BindingDB Entry DOI: 10.7270/Q2X350RS |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50238431
(CHEMBL4069265)Show SMILES O=C(N1CCN(CC1)C1CCOCC1)c1ccc(Nc2nc3ccccc3n3nnnc23)cc1 Show InChI InChI=1S/C24H26N8O2/c33-24(31-13-11-30(12-14-31)19-9-15-34-16-10-19)17-5-7-18(8-6-17)25-22-23-27-28-29-32(23)21-4-2-1-3-20(21)26-22/h1-8,19H,9-16H2,(H,25,26) | PDB
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A GlaxoSmithKline Company
Curated by ChEMBL
| Assay Description
Inhibition of TNKS1 (unknown origin) expressed in HEK293 cells co-expressing TCF/LEF luciferase plasmid assessed as reduction in wnt3a ligand-induced... |
J Med Chem 60: 5455-5471 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00137
BindingDB Entry DOI: 10.7270/Q2X350RS |
More data for this
Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM75029
(MLS000686692 | N-phenyl-4-tetrazolo[1,5-a]quinoxal...)Show InChI InChI=1S/C14H10N6/c1-2-6-10(7-3-1)15-13-14-17-18-19-20(14)12-9-5-4-8-11(12)16-13/h1-9H,(H,15,16) | PDB
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A GlaxoSmithKline Company
Curated by ChEMBL
| Assay Description
Binding affinity to TNKS1 in human HeLa cell extract after 2 hrs by HTS assay |
J Med Chem 60: 5455-5471 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00137
BindingDB Entry DOI: 10.7270/Q2X350RS |
More data for this
Ligand-Target Pair | |
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