Found 10 hits of kd for UniProtKB: O95271 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-1
(Homo sapiens (Human)) | BDBM50380590
(CHEMBL1898239)Show SMILES COc1ccc(cc1)-c1noc(CSc2nnc(C)n2-c2ccc(OC)cc2)n1 Show InChI InChI=1S/C20H19N5O3S/c1-13-22-23-20(25(13)15-6-10-17(27-3)11-7-15)29-12-18-21-19(24-28-18)14-4-8-16(26-2)9-5-14/h4-11H,12H2,1-3H3 | PDB
UniProtKB/SwissProt
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Similars
| PDB Article PubMed
| n/a | n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Binding affinity to biotinylated Avi-tagged TNKS1 |
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-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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| 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-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 | 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 tankyrase-1
(Homo sapiens (Human)) | BDBM50462626
(CHEMBL4127893)Show InChI InChI=1S/C18H18O3/c1-3-5-12-7-8-16(19)14(9-12)15-10-13(6-4-2)11-17(20)18(15)21/h3-4,7-11,19-21H,1-2,5-6H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 5.26E+3 | n/a | n/a | n/a | n/a | n/a |
University of Salerno
Curated by ChEMBL
| Assay Description Binding affinity to recombinant human N-terminal GSt-tagged TNKS1 (1000 to 1328 residues) expressed in baculovirus infected Sf9 cells by surface plas... |
Bioorg Med Chem 26: 3953-3957 (2018)
Article DOI: 10.1016/j.bmc.2018.06.019 BindingDB Entry DOI: 10.7270/Q2KH0R05 |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM209932
(2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-...)Show InChI InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m1/s1 | PDB
UniProtKB/SwissProt
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PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01012 BindingDB Entry DOI: 10.7270/Q2Z03D7J |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM124951
(US8765972, 4)Show SMILES C[C@@H]1N(C2CCN(CC2)C2CCCCC2)C(=O)c2c1cccc2C(N)=O |r| Show InChI InChI=1S/C21H29N3O2/c1-14-17-8-5-9-18(20(22)25)19(17)21(26)24(14)16-10-12-23(13-11-16)15-6-3-2-4-7-15/h5,8-9,14-16H,2-4,6-7,10-13H2,1H3,(H2,22,25)/t14-/m0/s1 | PDB
UniProtKB/SwissProt
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MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences S.r.l.
Curated by ChEMBL
| Assay Description Displacement of fluorescent probe from human recombinant His-tagged TNKS1 catalytic domain (1091-1325 residues) by fluorescent polarization assay |
ACS Med Chem Lett 10: 534-538 (2019)
Article DOI: 10.1021/acsmedchemlett.8b00569 BindingDB Entry DOI: 10.7270/Q2VQ365G |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM124950
(US8765972, 3)Show SMILES CC1N(C2CCN(CC2)C2CCCCC2)C(=O)c2c1cccc2C(N)=O Show InChI InChI=1S/C21H29N3O2/c1-14-17-8-5-9-18(20(22)25)19(17)21(26)24(14)16-10-12-23(13-11-16)15-6-3-2-4-7-15/h5,8-9,14-16H,2-4,6-7,10-13H2,1H3,(H2,22,25) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
Nerviano Medical Sciences S.r.l.
Curated by ChEMBL
| Assay Description Displacement of fluorescent probe from human recombinant His-tagged TNKS1 catalytic domain (1091-1325 residues) by fluorescent polarization assay |
ACS Med Chem Lett 10: 534-538 (2019)
Article DOI: 10.1021/acsmedchemlett.8b00569 BindingDB Entry DOI: 10.7270/Q2VQ365G |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50446130
(AG-014699 | AG-14447 | RUCAPARIB CAMSYLATE | Rucap...)Show SMILES CNCc1ccc(cc1)-c1[nH]c2cc(F)cc3C(=O)NCCc1c23 Show InChI InChI=1S/C19H18FN3O/c1-21-10-11-2-4-12(5-3-11)18-14-6-7-22-19(24)15-8-13(20)9-16(23-18)17(14)15/h2-5,8-9,21,23H,6-7,10H2,1H3,(H,22,24) | PDB
UniProtKB/SwissProt
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| n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01012 BindingDB Entry DOI: 10.7270/Q2Z03D7J |
More data for this Ligand-Target Pair | |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50084621
(BMN 673 | Talazoparib)Show SMILES Cn1ncnc1[C@@H]1[C@H](Nc2cc(F)cc3c2c1n[nH]c3=O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C19H14F2N6O/c1-27-18(22-8-23-27)15-16(9-2-4-10(20)5-3-9)24-13-7-11(21)6-12-14(13)17(15)25-26-19(12)28/h2-8,15-16,24H,1H3,(H,26,28)/t15-,16-/m1/s1 | PDB
UniProtKB/SwissProt
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MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01012 BindingDB Entry DOI: 10.7270/Q2Z03D7J |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Poly [ADP-ribose] polymerase tankyrase-1
(Homo sapiens (Human)) | BDBM50462627
(CHEMBL1958308)Show InChI InChI=1S/C19H20O4/c1-4-6-12-8-14(18(21)16(20)10-12)15-9-13(7-5-2)11-17(23-3)19(15)22/h4-5,8-11,20-22H,1-2,6-7H2,3H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | 520 | n/a | n/a | n/a | n/a | n/a |
University of Salerno
Curated by ChEMBL
| Assay Description Binding affinity to recombinant human N-terminal GSt-tagged TNKS1 (1000 to 1328 residues) expressed in baculovirus infected Sf9 cells by surface plas... |
Bioorg Med Chem 26: 3953-3957 (2018)
Article DOI: 10.1016/j.bmc.2018.06.019 BindingDB Entry DOI: 10.7270/Q2KH0R05 |
More data for this Ligand-Target Pair | |