Compile Data Set for Download or QSAR

Found 850 hits of ic50 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))	BDBM50169057 (CHEMBL3805896) Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)CCCc1cn2c(C)ccc2c(=O)[nH]1 Show InChI InChI=1S/C25H29N3O4/c1-17-6-11-22-25(31)26-20(16-28(17)22)4-3-5-23(29)27-14-12-19(13-15-27)24(30)18-7-9-21(32-2)10-8-18/h6-11,16,19H,3-5,12-15H2,1-2H3,(H,26,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a	n/a
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of GST-tagged TNKS1 (1023 to 1327 residues) (unknown origin) autoparsylation using biotinylated NAD incubated for 1 hr by ELISA				ACS Med Chem Lett 7: 209-10 (2016) Article DOI: 10.1021/acsmedchemlett.6b00017 BindingDB Entry DOI: 10.7270/Q2F76FFJ
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50169056 (CHEMBL3806163) Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)CCCc1cn2cc(F)cc2c(=O)[nH]1 Show InChI InChI=1S/C24H26FN3O4/c1-32-20-7-5-16(6-8-20)23(30)17-9-11-27(12-10-17)22(29)4-2-3-19-15-28-14-18(25)13-21(28)24(31)26-19/h5-8,13-15,17H,2-4,9-12H2,1H3,(H,26,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of GST-tagged TNKS1 (1023 to 1327 residues) (unknown origin) autoparsylation using biotinylated NAD incubated for 1 hr by ELISA				ACS Med Chem Lett 7: 209-10 (2016) Article DOI: 10.1021/acsmedchemlett.6b00017 BindingDB Entry DOI: 10.7270/Q2F76FFJ
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM435435 (US10570116, Compound C43) Show SMILES COC(=O)c1cccc(c1)C(=O)C1CCN(CC1)C(=O)C[C@@H](C)Cc1nc2c(C)cccc2c(=O)[nH]1 Show InChI InChI=1S/C28H31N3O5/c1-17(14-23-29-25-18(2)6-4-9-22(25)27(34)30-23)15-24(32)31-12-10-19(11-13-31)26(33)20-7-5-8-21(16-20)28(35)36-3/h4-9,16-17,19H,10-15H2,1-3H3,(H,29,30,34)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.230	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50169061 (CHEMBL3805393) Show SMILES COc1ccc(cn1)C(=O)C1CCN(CC1)C(=O)CCCc1cn2cc(F)cc2c(=O)[nH]1 Show InChI InChI=1S/C23H25FN4O4/c1-32-20-6-5-16(12-25-20)22(30)15-7-9-27(10-8-15)21(29)4-2-3-18-14-28-13-17(24)11-19(28)23(31)26-18/h5-6,11-15H,2-4,7-10H2,1H3,(H,26,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of GST-tagged TNKS1 (1023 to 1327 residues) (unknown origin) autoparsylation using biotinylated NAD incubated for 1 hr by ELISA				ACS Med Chem Lett 7: 209-10 (2016) Article DOI: 10.1021/acsmedchemlett.6b00017 BindingDB Entry DOI: 10.7270/Q2F76FFJ
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50544641 (CHEMBL4645574) Show SMILES CCN(C(=O)N1CCC(CC1)C(=O)c1ccc2n(C)c(cc2c1)C(O)=O)c1ccc(OC)cc1 Show InChI InChI=1S/C26H29N3O5/c1-4-29(20-6-8-21(34-3)9-7-20)26(33)28-13-11-17(12-14-28)24(30)18-5-10-22-19(15-18)16-23(25(31)32)27(22)2/h5-10,15-17H,4,11-14H2,1-3H3,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
Lauren Mccallister Curated by ChEMBL					Assay Description Inhibition of human GST-tagged tankyrase 1 autophosphorylation by ELISA				ACS Med Chem Lett 11: 1676-1677 (2020) Article DOI: 10.1021/acsmedchemlett.0c00390 BindingDB Entry DOI: 10.7270/Q2FF3WZK
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50544643 (CHEMBL4634919) Show SMILES CCN(C(=O)N1CCC(CC1)C(=O)c1ccc2cnn(C)c2c1)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C24H26N4O4/c1-3-28(20-8-6-17(7-9-20)23(30)31)24(32)27-12-10-16(11-13-27)22(29)18-4-5-19-15-25-26(2)21(19)14-18/h4-9,14-16H,3,10-13H2,1-2H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.270	n/a	n/a	n/a	n/a	n/a	n/a
Lauren Mccallister Curated by ChEMBL					Assay Description Inhibition of human GST-tagged tankyrase 1 autophosphorylation by ELISA				ACS Med Chem Lett 11: 1676-1677 (2020) Article DOI: 10.1021/acsmedchemlett.0c00390 BindingDB Entry DOI: 10.7270/Q2FF3WZK
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM435441 (US10570116, Compound C49) Show SMILES Cn1cc(cn1)C(=O)C1CCN(CC1)C(=O)CC(C)(C)Cc1cc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C25H30N4O3/c1-25(2,13-20-12-18-6-4-5-7-21(18)24(32)27-20)14-22(30)29-10-8-17(9-11-29)23(31)19-15-26-28(3)16-19/h4-7,12,15-17H,8-11,13-14H2,1-3H3,(H,27,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM435395 (US10570116, Compound C6) Show SMILES C[C@H](CC(=O)N1CCC(CC1)C(=O)c1cnn(C)c1)Cc1nc2c(C)cc(F)cc2c(=O)[nH]1 Show InChI InChI=1S/C24H28FN5O3/c1-14(8-20-27-22-15(2)10-18(25)11-19(22)24(33)28-20)9-21(31)30-6-4-16(5-7-30)23(32)17-12-26-29(3)13-17/h10-14,16H,4-9H2,1-3H3,(H,27,28,33)/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.310	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM435386 (US10570116, Compound C2) Show SMILES C[C@H](CC(=O)N1CCC(CC1)C(=O)c1cnn(C)c1)Cc1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C23H27N5O3/c1-15(11-20-25-19-6-4-3-5-18(19)23(31)26-20)12-21(29)28-9-7-16(8-10-28)22(30)17-13-24-27(2)14-17/h3-6,13-16H,7-12H2,1-2H3,(H,25,26,31)/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM435444 (US10570116, Compound C52) Show SMILES CC(C)(CC(=O)N1CCC(CC1)C(=O)c1ccc(cc1)C(O)=O)Cc1cc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C28H30N2O5/c1-28(2,16-22-15-21-5-3-4-6-23(21)26(33)29-22)17-24(31)30-13-11-19(12-14-30)25(32)18-7-9-20(10-8-18)27(34)35/h3-10,15,19H,11-14,16-17H2,1-2H3,(H,29,33)(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM435439 (US10570116, Compound C47) Show SMILES C[C@H](CC(=O)N1CCC(CC1)C(=O)c1cccc(c1)C(O)=O)Cc1nc2c(C)cc(F)cc2c(=O)[nH]1 Show InChI InChI=1S/C27H28FN3O5/c1-15(10-22-29-24-16(2)12-20(28)14-21(24)26(34)30-22)11-23(32)31-8-6-17(7-9-31)25(33)18-4-3-5-19(13-18)27(35)36/h3-5,12-15,17H,6-11H2,1-2H3,(H,35,36)(H,29,30,34)/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50544640 (CHEMBL4640008) Show SMILES CCN(C(=O)N1CCC(CC1)C(=O)c1ccc2cc(C(O)=O)n(C)c2c1)c1ccc(OC)cc1 Show InChI InChI=1S/C26H29N3O5/c1-4-29(20-7-9-21(34-3)10-8-20)26(33)28-13-11-17(12-14-28)24(30)19-6-5-18-15-23(25(31)32)27(2)22(18)16-19/h5-10,15-17H,4,11-14H2,1-3H3,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.360	n/a	n/a	n/a	n/a	n/a	n/a
Lauren Mccallister Curated by ChEMBL					Assay Description Inhibition of human GST-tagged tankyrase 1 autophosphorylation by ELISA				ACS Med Chem Lett 11: 1676-1677 (2020) Article DOI: 10.1021/acsmedchemlett.0c00390 BindingDB Entry DOI: 10.7270/Q2FF3WZK
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50169060 (CHEMBL3804939) Show SMILES COc1ccc(cc1C)C(=O)C1CCN(CC1)C(=O)CCCc1nc2c(C)scc2c(=O)[nH]1 Show InChI InChI=1S/C25H29N3O4S/c1-15-13-18(7-8-20(15)32-3)24(30)17-9-11-28(12-10-17)22(29)6-4-5-21-26-23-16(2)33-14-19(23)25(31)27-21/h7-8,13-14,17H,4-6,9-12H2,1-3H3,(H,26,27,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of GST-tagged TNKS1 (1023 to 1327 residues) (unknown origin) autoparsylation using biotinylated NAD incubated for 1 hr by ELISA				ACS Med Chem Lett 7: 209-10 (2016) Article DOI: 10.1021/acsmedchemlett.6b00017 BindingDB Entry DOI: 10.7270/Q2F76FFJ
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50544645 (CHEMBL4643690) Show SMILES CCN(C(=O)N1CCC(CC1)C(=O)c1ccc2ncn(C)c2c1)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C24H26N4O4/c1-3-28(19-7-4-17(5-8-19)23(30)31)24(32)27-12-10-16(11-13-27)22(29)18-6-9-20-21(14-18)26(2)15-25-20/h4-9,14-16H,3,10-13H2,1-2H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.410	n/a	n/a	n/a	n/a	n/a	n/a
Lauren Mccallister Curated by ChEMBL					Assay Description Inhibition of human GST-tagged tankyrase 1 autophosphorylation by ELISA				ACS Med Chem Lett 11: 1676-1677 (2020) Article DOI: 10.1021/acsmedchemlett.0c00390 BindingDB Entry DOI: 10.7270/Q2FF3WZK
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM435431 (US10570116, Compound C39) Show SMILES Cc1cc(ccc1C(O)=O)C(=O)C1CCN(CC1)C(=O)CC(C)(C)Cc1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C28H31N3O5/c1-17-14-19(8-9-20(17)27(35)36)25(33)18-10-12-31(13-11-18)24(32)16-28(2,3)15-23-29-22-7-5-4-6-21(22)26(34)30-23/h4-9,14,18H,10-13,15-16H2,1-3H3,(H,35,36)(H,29,30,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.430	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM435442 (US10570116, Compound C50) Show SMILES C[C@H](CC(=O)N1CCC(CC1)C(=O)c1cnn(C)c1)Cc1cc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C24H28N4O3/c1-16(11-20-13-18-5-3-4-6-21(18)24(31)26-20)12-22(29)28-9-7-17(8-10-28)23(30)19-14-25-27(2)15-19/h3-6,13-17H,7-12H2,1-2H3,(H,26,31)/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.440	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM435437 (US10570116, Compound C45) Show SMILES C[C@H](CC(=O)N1CCC(CC1)C(=O)c1cccc(c1)C(O)=O)Cc1nc2c(C)cccc2c(=O)[nH]1 Show InChI InChI=1S/C27H29N3O5/c1-16(13-22-28-24-17(2)5-3-8-21(24)26(33)29-22)14-23(31)30-11-9-18(10-12-30)25(32)19-6-4-7-20(15-19)27(34)35/h3-8,15-16,18H,9-14H2,1-2H3,(H,34,35)(H,28,29,33)/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.450	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM435434 (US10570116, Compound C42) Show SMILES COC(=O)c1cccc(c1)C(=O)C1CCN(CC1)C(=O)C[C@H](C)Cc1nc2c(C)cccc2c(=O)[nH]1 Show InChI InChI=1S/C28H31N3O5/c1-17(14-23-29-25-18(2)6-4-9-22(25)27(34)30-23)15-24(32)31-12-10-19(11-13-31)26(33)20-7-5-8-21(16-20)28(35)36-3/h4-9,16-17,19H,10-15H2,1-3H3,(H,29,30,34)/t17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.450	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM435409 (US10570116, Compound C17) Show SMILES Cn1cc(cn1)C(=O)C1CCN(CC1)C(=O)CC(C)(C)Cc1nc2n(C)ccc2c(=O)[nH]1 Show InChI InChI=1S/C23H30N6O3/c1-23(2,11-18-25-21-17(22(32)26-18)7-8-27(21)3)12-19(30)29-9-5-15(6-10-29)20(31)16-13-24-28(4)14-16/h7-8,13-15H,5-6,9-12H2,1-4H3,(H,25,26,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.470	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM435426 (US10570116, Compound C34) Show SMILES COC(=O)c1cccc(c1)C(=O)C1CCN(CC1)C(=O)CC(C)(C)Cc1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C28H31N3O5/c1-28(2,16-23-29-22-10-5-4-9-21(22)26(34)30-23)17-24(32)31-13-11-18(12-14-31)25(33)19-7-6-8-20(15-19)27(35)36-3/h4-10,15,18H,11-14,16-17H2,1-3H3,(H,29,30,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.480	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM435399 (US10570116, Compound C8) Show SMILES CC(C)[C@H](CC(=O)N1CCC(CC1)C(=O)c1cnn(C)c1)Cc1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C25H31N5O3/c1-16(2)18(12-22-27-21-7-5-4-6-20(21)25(33)28-22)13-23(31)30-10-8-17(9-11-30)24(32)19-14-26-29(3)15-19/h4-7,14-18H,8-13H2,1-3H3,(H,27,28,33)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50544644 (CHEMBL4639702) Show SMILES CCN(C(=O)N1CCC(CC1)C(=O)c1ccc2n(C)ncc2c1)c1ccc(cc1)C(O)=O Show InChI InChI=1S/C24H26N4O4/c1-3-28(20-7-4-17(5-8-20)23(30)31)24(32)27-12-10-16(11-13-27)22(29)18-6-9-21-19(14-18)15-25-26(21)2/h4-9,14-16H,3,10-13H2,1-2H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Lauren Mccallister Curated by ChEMBL					Assay Description Inhibition of human GST-tagged tankyrase 1 autophosphorylation by ELISA				ACS Med Chem Lett 11: 1676-1677 (2020) Article DOI: 10.1021/acsmedchemlett.0c00390 BindingDB Entry DOI: 10.7270/Q2FF3WZK
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM435425 (US10570116, Compound C33) Show SMILES CC(C)(CC(=O)N1CCC(CC1)C(=O)c1ccc(cc1)C(O)=O)Cc1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C27H29N3O5/c1-27(2,15-22-28-21-6-4-3-5-20(21)25(33)29-22)16-23(31)30-13-11-18(12-14-30)24(32)17-7-9-19(10-8-17)26(34)35/h3-10,18H,11-16H2,1-2H3,(H,34,35)(H,28,29,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.510	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM435403 (US10570116, Compound C11) Show SMILES CC(C)C[C@@H](CC(=O)N1CCC(CC1)C(=O)c1cnn(C)c1)Cc1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C26H33N5O3/c1-17(2)12-18(13-23-28-22-7-5-4-6-21(22)26(34)29-23)14-24(32)31-10-8-19(9-11-31)25(33)20-15-27-30(3)16-20/h4-7,15-19H,8-14H2,1-3H3,(H,28,29,34)/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.520	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50544642 (CHEMBL4632401) Show SMILES CCN(C(=O)N1CCC(CC1)C(=O)c1ccc2c(nn(C)c2c1)C(O)=O)c1ccc(OC)cc1 Show InChI InChI=1S/C25H28N4O5/c1-4-29(18-6-8-19(34-3)9-7-18)25(33)28-13-11-16(12-14-28)23(30)17-5-10-20-21(15-17)27(2)26-22(20)24(31)32/h5-10,15-16H,4,11-14H2,1-3H3,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.520	n/a	n/a	n/a	n/a	n/a	n/a
Lauren Mccallister Curated by ChEMBL					Assay Description Inhibition of human GST-tagged tankyrase 1 autophosphorylation by ELISA				ACS Med Chem Lett 11: 1676-1677 (2020) Article DOI: 10.1021/acsmedchemlett.0c00390 BindingDB Entry DOI: 10.7270/Q2FF3WZK
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM435384 (US10570116, Compound C1) Show SMILES Cn1cc(cn1)C(=O)C1CCN(CC1)C(=O)CC(C)(C)Cc1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C24H29N5O3/c1-24(2,12-20-26-19-7-5-4-6-18(19)23(32)27-20)13-21(30)29-10-8-16(9-11-29)22(31)17-14-25-28(3)15-17/h4-7,14-16H,8-13H2,1-3H3,(H,26,27,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.570	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM435430 (US10570116, Compound C38) Show SMILES COC(=O)c1ccc(cc1C)C(=O)C1CCN(CC1)C(=O)CC(C)(C)Cc1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C29H33N3O5/c1-18-15-20(9-10-21(18)28(36)37-4)26(34)19-11-13-32(14-12-19)25(33)17-29(2,3)16-24-30-23-8-6-5-7-22(23)27(35)31-24/h5-10,15,19H,11-14,16-17H2,1-4H3,(H,30,31,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.580	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM435410 (US10570116, Compound C18) Show SMILES CCn1cc(cn1)C(=O)C1CCN(CC1)C(=O)CC(C)(C)Cc1nc2n(C)ccc2c(=O)[nH]1 Show InChI InChI=1S/C24H32N6O3/c1-5-30-15-17(14-25-30)21(32)16-6-10-29(11-7-16)20(31)13-24(2,3)12-19-26-22-18(23(33)27-19)8-9-28(22)4/h8-9,14-16H,5-7,10-13H2,1-4H3,(H,26,27,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.580	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM435433 (US10570116, Compound C41) Show SMILES Cc1cc(ccc1C(O)=O)C(=O)C1CCN(CC1)C(=O)CC(C)(C)Cc1nc2c(C)cccc2c(=O)[nH]1 Show InChI InChI=1S/C29H33N3O5/c1-17-6-5-7-22-25(17)30-23(31-27(22)35)15-29(3,4)16-24(33)32-12-10-19(11-13-32)26(34)20-8-9-21(28(36)37)18(2)14-20/h5-9,14,19H,10-13,15-16H2,1-4H3,(H,36,37)(H,30,31,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.590	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50593627 (CHEMBL5199558) Show SMILES Cc1ccc2n1cc([nH]c2=O)-c1ccc(cc1)C(C)(C)O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) from rat liver				Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50593627 (CHEMBL5199558) Show SMILES Cc1ccc2n1cc([nH]c2=O)-c1ccc(cc1)C(C)(C)O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02139 BindingDB Entry DOI: 10.7270/Q27H1PK7
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM435408 (US10570116, Compound C16) Show SMILES COc1ccc(cn1)C(=O)C1CCN(CC1)C(=O)CC(C)(C)Cc1nc2n(C)ccc2c(=O)[nH]1 Show InChI InChI=1S/C25H31N5O4/c1-25(2,13-19-27-23-18(24(33)28-19)9-10-29(23)3)14-21(31)30-11-7-16(8-12-30)22(32)17-5-6-20(34-4)26-15-17/h5-6,9-10,15-16H,7-8,11-14H2,1-4H3,(H,27,28,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.610	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM435422 (US10570116, Compound C30) Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)N(C)CCc1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C25H28N4O4/c1-28(14-13-22-26-21-6-4-3-5-20(21)24(31)27-22)25(32)29-15-11-18(12-16-29)23(30)17-7-9-19(33-2)10-8-17/h3-10,18H,11-16H2,1-2H3,(H,26,27,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.620	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM435396 (US10570116, Compound C7) Show SMILES C[C@@H](CC(=O)N1CCC(CC1)C(=O)c1cnn(C)c1)Cc1nc2c(C)cc(F)cc2c(=O)[nH]1 Show InChI InChI=1S/C24H28FN5O3/c1-14(8-20-27-22-15(2)10-18(25)11-19(22)24(33)28-20)9-21(31)30-6-4-16(5-7-30)23(32)17-12-26-29(3)13-17/h10-14,16H,4-9H2,1-3H3,(H,27,28,33)/t14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.660	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM435424 (US10570116, Compound C32) Show SMILES COC(=O)c1ccc(cc1)C(=O)C1CCN(CC1)C(=O)CC(C)(C)Cc1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C28H31N3O5/c1-28(2,16-23-29-22-7-5-4-6-21(22)26(34)30-23)17-24(32)31-14-12-19(13-15-31)25(33)18-8-10-20(11-9-18)27(35)36-3/h4-11,19H,12-17H2,1-3H3,(H,29,30,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.680	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM435428 (US10570116, Compound C36) Show SMILES COC(=O)c1cccc(c1)C(=O)C1CCN(CC1)C(=O)CC(C)(C)Cc1nc2c(C)cccc2c(=O)[nH]1 Show InChI InChI=1S/C29H33N3O5/c1-18-7-5-10-22-25(18)30-23(31-27(22)35)16-29(2,3)17-24(33)32-13-11-19(12-14-32)26(34)20-8-6-9-21(15-20)28(36)37-4/h5-10,15,19H,11-14,16-17H2,1-4H3,(H,30,31,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.790	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	CHEMBL5272750 Show SMILES Cc1cccc(CN2CC(CCN3CC(C3)N3CCOCC3)(CCC2=O)c2ccc(Cl)c(Cl)c2)c1 Show InChI InChI=1S/C28H35Cl2N3O2/c1-21-3-2-4-22(15-21)17-33-20-28(8-7-27(33)34,23-5-6-25(29)26(30)16-23)9-10-31-18-24(19-31)32-11-13-35-14-12-32/h2-6,15-16,24H,7-14,17-20H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) of Neisseria gonorrhoea				Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	CHEMBL5274873 Show SMILES Clc1ccc(cc1Cl)C1(CCN2CC(C2)N2CCOCC2)CCC(=O)N(CC2CC2)C1 Show InChI InChI=1S/C24H33Cl2N3O2/c25-21-4-3-19(13-22(21)26)24(6-5-23(30)29(17-24)14-18-1-2-18)7-8-27-15-20(16-27)28-9-11-31-12-10-28/h3-4,13,18,20H,1-2,5-12,14-17H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) of Plasmodium berghei				Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50505331 (CHEMBL4458129) Show SMILES Cc1cc(F)cc2c1nc([nH]c2=O)-c1ccc(cc1)C(C)(C)O Show InChI InChI=1S/C18H17FN2O2/c1-10-8-13(19)9-14-15(10)20-16(21-17(14)22)11-4-6-12(7-5-11)18(2,3)23/h4-9,23H,1-3H3,(H,20,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare KGaA Curated by ChEMBL					Assay Description Inhibition of GST tagged-TEV cleavage site-fused human recombinant TNKS1 (1023 to 1327 residues) expressed in baculovirus infected sf9 cells assessed...				J Med Chem 62: 7897-7909 (2019) Article DOI: 10.1021/acs.jmedchem.9b00656 BindingDB Entry DOI: 10.7270/Q2FJ2M28
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50169058 (CHEMBL3806049) Show SMILES CC(C)n1cc(cn1)C(=O)C1CCN(CC1)C(=O)CCCc1nc2n(C)ccc2c(=O)[nH]1 Show InChI InChI=1S/C23H30N6O3/c1-15(2)29-14-17(13-24-29)21(31)16-7-11-28(12-8-16)20(30)6-4-5-19-25-22-18(23(32)26-19)9-10-27(22)3/h9-10,13-16H,4-8,11-12H2,1-3H3,(H,25,26,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.810	n/a	n/a	n/a	n/a	n/a	n/a
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of GST-tagged TNKS1 (1023 to 1327 residues) (unknown origin) autoparsylation using biotinylated NAD incubated for 1 hr by ELISA				ACS Med Chem Lett 7: 209-10 (2016) Article DOI: 10.1021/acsmedchemlett.6b00017 BindingDB Entry DOI: 10.7270/Q2F76FFJ
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM435393 (US10570116, Compound C4) Show SMILES C[C@H](CC(=O)N1CCC(CC1)C(=O)c1cnn(c1)C(C)C)Cc1nc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C25H31N5O3/c1-16(2)30-15-19(14-26-30)24(32)18-8-10-29(11-9-18)23(31)13-17(3)12-22-27-21-7-5-4-6-20(21)25(33)28-22/h4-7,14-18H,8-13H2,1-3H3,(H,27,28,33)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.840	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM435412 (US10570116, Compound C20) Show SMILES Cn1cc(cn1)C(=O)C1CCN(CC1)C(=O)CC(C)(C)Cc1nc2n(C)ncc2c(=O)[nH]1 Show InChI InChI=1S/C22H29N7O3/c1-22(2,9-17-25-20-16(21(32)26-17)12-24-28(20)4)10-18(30)29-7-5-14(6-8-29)19(31)15-11-23-27(3)13-15/h11-14H,5-10H2,1-4H3,(H,25,26,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.920	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM435429 (US10570116, Compound C37) Show SMILES Cc1cccc2c1nc(CC(C)(C)CC(=O)N1CCC(CC1)C(=O)c1cccc(c1)C(O)=O)[nH]c2=O Show InChI InChI=1S/C28H31N3O5/c1-17-6-4-9-21-24(17)29-22(30-26(21)34)15-28(2,3)16-23(32)31-12-10-18(11-13-31)25(33)19-7-5-8-20(14-19)27(35)36/h4-9,14,18H,10-13,15-16H2,1-3H3,(H,35,36)(H,29,30,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.950	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM435443 (US10570116, Compound C51) Show SMILES C[C@@H](CC(=O)N1CCC(CC1)C(=O)c1cnn(C)c1)Cc1cc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C24H28N4O3/c1-16(11-20-13-18-5-3-4-6-21(18)24(31)26-20)12-22(29)28-9-7-17(8-10-28)23(30)19-14-25-27(2)15-19/h3-6,13-17H,7-12H2,1-2H3,(H,26,31)/t16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	CHEMBL5271127 Show SMILES Clc1ccc(cc1Cl)C1(CCN2CC(C2)N2CCOCC2=O)CCC(=O)N(Cc2ccccc2)C1 Show InChI InChI=1S/C27H31Cl2N3O3/c28-23-7-6-21(14-24(23)29)27(9-8-25(33)31(19-27)15-20-4-2-1-3-5-20)10-11-30-16-22(17-30)32-12-13-35-18-26(32)34/h1-7,14,22H,8-13,15-19H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) from rat liver				Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50094926 (CHEMBL3589282) Show SMILES COc1ccc(cc1)-c1cc2N(C)CCCc2c(=O)[nH]1 Show InChI InChI=1S/C16H18N2O2/c1-18-9-3-4-13-15(18)10-14(17-16(13)19)11-5-7-12(20-2)8-6-11/h5-8,10H,3-4,9H2,1-2H3,(H,17,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	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
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM435445 (US10570116, Compound C53) Show SMILES CC(C)(CC(=O)N1CCC(CC1)C(=O)c1cccc(c1)C(O)=O)Cc1cc2ccccc2c(=O)[nH]1 Show InChI InChI=1S/C28H30N2O5/c1-28(2,16-22-15-19-6-3-4-9-23(19)26(33)29-22)17-24(31)30-12-10-18(11-13-30)25(32)20-7-5-8-21(14-20)27(34)35/h3-9,14-15,18H,10-13,16-17H2,1-2H3,(H,29,33)(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description TNKS 1 and 2: The activity ELISA is performed in 384 well Glutathione coated microtiter plates (Express capture Glutathione coated plate, Biocat, Hei...				US Patent US10570116 (2020) BindingDB Entry DOI: 10.7270/Q2J968R4
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50505324 (CHEMBL4588170) Show SMILES Cc1cccc2c1nc([nH]c2=O)-c1ccc(cc1)C(C)(C)O Show InChI InChI=1S/C18H18N2O2/c1-11-5-4-6-14-15(11)19-16(20-17(14)21)12-7-9-13(10-8-12)18(2,3)22/h4-10,22H,1-3H3,(H,19,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Healthcare KGaA Curated by ChEMBL					Assay Description Inhibition of GST tagged-TEV cleavage site-fused human recombinant TNKS1 (1023 to 1327 residues) expressed in baculovirus infected sf9 cells assessed...				J Med Chem 62: 7897-7909 (2019) Article DOI: 10.1021/acs.jmedchem.9b00656 BindingDB Entry DOI: 10.7270/Q2FJ2M28
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	CHEMBL5284314 Show SMILES OC1CCCN(C1)C1CN(CCC2(CCC(=O)N(Cc3ccccc3)C2)c2ccc(Cl)c(Cl)c2)C1 Show InChI InChI=1S/C28H35Cl2N3O2/c29-25-9-8-22(15-26(25)30)28(11-10-27(35)33(20-28)16-21-5-2-1-3-6-21)12-14-31-17-23(18-31)32-13-4-7-24(34)19-32/h1-3,5-6,8-9,15,23-24,34H,4,7,10-14,16-20H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) of Plasmodium berghei				Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 (Homo sapiens (Human))	BDBM50593627 (CHEMBL5199558) Show SMILES Cc1ccc2n1cc([nH]c2=O)-c1ccc(cc1)C(C)(C)O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibitory activity against dihydrofolate reductase (DHFR) from Escherichia coli				Citation and Details
					More data for this Ligand-Target Pair

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