Compile Data Set for Download or QSAR

Found 1210 hits Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase tankyrase-2'   

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-2 (Homo sapiens (Human))	BDBM50188594 (CHEBI:62878 | CHEMBL1086580) Show SMILES Oc1nc(nc2CCSCc12)-c1ccc(cc1)C(F)(F)F 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	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonistic activity against histamine H3 receptor in guinea pig ileum				Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50407813 (CHEMBL5194149) Show SMILES [#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-1-[#6]-c2ccccc2-[#6]-[#6@H]-1-[#6](=O)-[#7]-1-[#6]-2-[#6]-[#6]-[#6]-[#6]-[#6]-2-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |r| Show InChI InChI=1S/C37H50N8O7/c38-26(17-22-9-2-1-3-10-22)32(47)43-28(21-46)34(49)44-20-25-13-5-4-11-23(25)18-31(44)35(50)45-29-15-7-6-12-24(29)19-30(45)33(48)42-27(36(51)52)14-8-16-41-37(39)40/h1-5,9-11,13,24,26-31,46H,6-8,12,14-21,38H2,(H,42,48)(H,43,47)(H,51,52)(H4,39,40,41)/t24?,26-,27-,28-,29?,30-,31-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		2.79E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist potency at cloned recombinant human adenosine A2B receptor transfected in CHO cells by cAMP assay				Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 [946-1162] (Homo sapiens (Human))	BDBM259594 (US9505749, 107) Show SMILES O=C(CCSc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)Oc1ccccn1 |r,wU:17.18,wD:20.25,(2.67,5,;1.33,4.23,;,5,;-1.33,4.23,;-2.67,5,;-4,4.23,;-4,2.69,;-5.33,1.93,;-5.33,.38,;-6.67,-.38,;-8,.38,;-8,1.93,;-6.67,2.69,;-6.67,4.23,;-8,5,;-5.33,5,;1.33,2.69,;2.67,1.93,;4,2.69,;5.33,1.93,;5.33,.38,;4,-.38,;2.67,.38,;6.67,-.38,;6.67,-1.93,;8,-2.69,;8,-4.23,;6.67,-5,;5.33,-4.23,;5.33,-2.69,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0882	n/a	n/a	n/a	n/a	n/a	n/a
AMGEN INC. US Patent					Assay Description The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...				US Patent US9505749 (2016) BindingDB Entry DOI: 10.7270/Q2FN154F
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 [946-1162] (Homo sapiens (Human))	BDBM259593 (US9505749, 105) Show SMILES Clc1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)CCSc2nc3ccccc3c(=O)[nH]2)cc1 |r,wU:9.12,wD:6.5,(6.67,-5.78,;6.67,-4.23,;5.33,-3.47,;5.33,-1.93,;6.67,-1.15,;6.67,.38,;5.33,1.15,;5.33,2.69,;4,3.47,;2.67,2.69,;2.67,1.15,;4,.38,;1.33,3.47,;1.33,5,;2.67,5.78,;,5.78,;-1.33,5,;-2.67,5.78,;-4,5,;-4,3.47,;-5.33,2.69,;-5.33,1.15,;-6.67,.38,;-8,1.15,;-8,2.69,;-6.67,3.47,;-6.67,5,;-8,5.78,;-5.33,5.78,;8,-1.93,;8,-3.47,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0982	n/a	n/a	n/a	n/a	n/a	n/a
AMGEN INC. US Patent					Assay Description The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...				US Patent US9505749 (2016) BindingDB Entry DOI: 10.7270/Q2FN154F
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50234915 (CHEMBL4069447) Show SMILES Cc1cccc2c1nc(CCC(=O)Nc1ccc(cc1)C(=O)Nc1cccc3cccnc13)[nH]c2=O Show InChI InChI=1S/C28H23N5O3/c1-17-5-2-8-21-25(17)32-23(33-28(21)36)14-15-24(34)30-20-12-10-19(11-13-20)27(35)31-22-9-3-6-18-7-4-16-29-26(18)22/h2-13,16H,14-15H2,1H3,(H,30,34)(H,31,35)(H,32,33,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-GST-tagged TNKS2 (849 to 1166 residues) expressed in baculovirus infected Sf9 cells using biotinylated...				J Med Chem 60: 814-820 (2017) Article DOI: 10.1021/acs.jmedchem.6b01574 BindingDB Entry DOI: 10.7270/Q20R9RPP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50234915 (CHEMBL4069447) Show SMILES Cc1cccc2c1nc(CCC(=O)Nc1ccc(cc1)C(=O)Nc1cccc3cccnc13)[nH]c2=O Show InChI InChI=1S/C28H23N5O3/c1-17-5-2-8-21-25(17)32-23(33-28(21)36)14-15-24(34)30-20-12-10-19(11-13-20)27(35)31-22-9-3-6-18-7-4-16-29-26(18)22/h2-13,16H,14-15H2,1H3,(H,30,34)(H,31,35)(H,32,33,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of TNKS2 (unknown origin)				J Med Chem 60: 814-820 (2017) Article DOI: 10.1021/acs.jmedchem.6b01574 BindingDB Entry DOI: 10.7270/Q20R9RPP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50234915 (CHEMBL4069447) Show SMILES Cc1cccc2c1nc(CCC(=O)Nc1ccc(cc1)C(=O)Nc1cccc3cccnc13)[nH]c2=O Show InChI InChI=1S/C28H23N5O3/c1-17-5-2-8-21-25(17)32-23(33-28(21)36)14-15-24(34)30-20-12-10-19(11-13-20)27(35)31-22-9-3-6-18-7-4-16-29-26(18)22/h2-13,16H,14-15H2,1H3,(H,30,34)(H,31,35)(H,32,33,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-GST-tagged TNKS2 (849 to 1166 residues) expressed in baculovirus infected Sf9 cells using biotinylated...				J Med Chem 60: 814-820 (2017) Article DOI: 10.1021/acs.jmedchem.6b01574 BindingDB Entry DOI: 10.7270/Q20R9RPP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50234915 (CHEMBL4069447) Show SMILES Cc1cccc2c1nc(CCC(=O)Nc1ccc(cc1)C(=O)Nc1cccc3cccnc13)[nH]c2=O Show InChI InChI=1S/C28H23N5O3/c1-17-5-2-8-21-25(17)32-23(33-28(21)36)14-15-24(34)30-20-12-10-19(11-13-20)27(35)31-22-9-3-6-18-7-4-16-29-26(18)22/h2-13,16H,14-15H2,1H3,(H,30,34)(H,31,35)(H,32,33,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Effect on IP3 turnover by phospholipaseC positively linked to human NK1 receptor expressed in CHO cells				Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-2 (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	0.160	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 TNKS2 (873 to 1166 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-2 [946-1162] (Homo sapiens (Human))	BDBM259584 (US9505749, 95) Show SMILES O=C(CCCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)c1ncc(o1)-c1ccccc1 |r,wU:17.18,wD:20.25,(-2.08,.92,;-2.08,-.62,;-3.42,-1.39,;-3.42,-2.93,;-4.75,-3.7,;-6.08,-2.93,;-7.42,-3.7,;-8.75,-2.93,;-10.08,-3.7,;-11.42,-2.93,;-11.42,-1.39,;-10.08,-.62,;-8.75,-1.39,;-7.42,-.62,;-7.42,.92,;-6.08,-1.39,;-.75,-1.39,;.58,-.62,;.58,.92,;1.92,1.69,;3.25,.92,;3.25,-.62,;1.92,-1.39,;4.59,1.69,;4.59,3.23,;6.05,3.7,;6.96,2.46,;6.05,1.21,;8.44,2.06,;8.84,.57,;10.33,.17,;11.42,1.26,;11.02,2.75,;9.53,3.15,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
AMGEN INC. US Patent					Assay Description The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...				US Patent US9505749 (2016) BindingDB Entry DOI: 10.7270/Q2FN154F
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (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	0.170	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 TNKS2 (873 to 1166 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-2 [946-1162] (Homo sapiens (Human))	BDBM259612 (US9505749, 125) Show SMILES Clc1ccc(cc1)-c1nnc(o1)[C@H]1CC[C@@H](CC1)NC(=O)CCSc1nc2ccccc2c(=O)[nH]1 |r,wU:15.20,wD:12.13,(11.45,-6.56,;10.36,-5.47,;8.87,-5.87,;7.78,-4.78,;8.18,-3.3,;9.67,-2.9,;10.76,-3.99,;7.09,-2.21,;7.09,-.67,;5.63,-.19,;4.72,-1.44,;5.63,-2.68,;3.18,-1.44,;2.41,-.1,;.87,-.1,;.1,-1.44,;.87,-2.77,;2.41,-2.77,;-1.44,-1.44,;-2.21,-.1,;-1.44,1.23,;-3.75,-.1,;-4.52,1.23,;-6.06,1.23,;-6.83,2.56,;-8.37,2.56,;-9.14,3.9,;-10.68,3.9,;-11.45,5.23,;-10.68,6.56,;-9.14,6.56,;-8.37,5.23,;-6.83,5.23,;-6.06,6.56,;-6.06,3.9,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.179	n/a	n/a	n/a	n/a	n/a	n/a
AMGEN INC. US Patent					Assay Description The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...				US Patent US9505749 (2016) BindingDB Entry DOI: 10.7270/Q2FN154F
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (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 TNKS2 (873 to 1166 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-2 (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	0.190	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-2 (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	0.190	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 TNKS2 (873 to 1166 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-2 (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	0.190	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 2 autophosphorylation				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-2 [946-1162] (Homo sapiens (Human))	BDBM259519 (US9505749, 30) Show SMILES COc1ccc(cc1)-c1nnc(o1)[C@H]1CC[C@@H](CC1)NC(=O)CCCc1nc2ccccc2c(=O)[nH]1 |r,wU:16.21,wD:13.14,(.62,-9.5,;.22,-8.01,;1.31,-6.92,;.91,-5.43,;2,-4.34,;3.48,-4.74,;3.88,-6.23,;2.79,-7.32,;4.57,-3.65,;6.11,-3.65,;6.59,-2.19,;5.34,-1.28,;4.1,-2.19,;5.34,.26,;6.68,1.03,;6.68,2.57,;5.34,3.34,;4.01,2.57,;4.01,1.03,;5.33,4.88,;3.99,5.65,;3.99,7.19,;2.66,4.88,;1.33,5.65,;-.01,4.88,;-1.34,5.65,;-2.68,4.88,;-4.01,5.65,;-5.34,4.88,;-6.68,5.65,;-6.68,7.19,;-5.34,7.96,;-4.01,7.19,;-2.68,7.96,;-2.68,9.5,;-1.34,7.19,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.191	n/a	n/a	n/a	n/a	n/a	n/a
AMGEN INC. US Patent					Assay Description The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...				US Patent US9505749 (2016) BindingDB Entry DOI: 10.7270/Q2FN154F
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 [946-1162] (Homo sapiens (Human))	BDBM259541 (US9505749, 52) Show SMILES FC(F)(F)c1ccc2n(C3CCN(CC3)C(=O)CCCc3nc4ccccc4c(=O)[nH]3)c(=O)[nH]c2c1 Show InChI InChI=1S/C25H24F3N5O3/c26-25(27,28)15-8-9-20-19(14-15)30-24(36)33(20)16-10-12-32(13-11-16)22(34)7-3-6-21-29-18-5-2-1-4-17(18)23(35)31-21/h1-2,4-5,8-9,14,16H,3,6-7,10-13H2,(H,30,36)(H,29,31,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.193	n/a	n/a	n/a	n/a	n/a	n/a
AMGEN INC. US Patent					Assay Description The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...				US Patent US9505749 (2016) BindingDB Entry DOI: 10.7270/Q2FN154F
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 [946-1162] (Homo sapiens (Human))	BDBM259524 (US9505749, 35) Show SMILES Fc1ccc(cc1Cl)-c1nnc(o1)[C@H]1CC[C@@H](CC1)NC(=O)CCCc1nc2ccccc2c(=O)[nH]1 |r,wU:16.21,wD:13.14,(.22,-8.75,;1.31,-7.66,;2.79,-8.06,;3.88,-6.97,;3.48,-5.49,;2,-5.09,;.91,-6.18,;-.58,-5.78,;4.57,-4.4,;6.11,-4.4,;6.59,-2.93,;5.34,-2.03,;4.1,-2.93,;5.34,-.49,;6.68,.28,;6.68,1.82,;5.34,2.59,;4.01,1.82,;4.01,.28,;5.33,4.13,;3.99,4.9,;3.99,6.44,;2.66,4.13,;1.33,4.9,;-.01,4.13,;-1.34,4.9,;-2.68,4.13,;-4.01,4.9,;-5.34,4.13,;-6.68,4.9,;-6.68,6.44,;-5.34,7.21,;-4.01,6.44,;-2.68,7.21,;-2.68,8.75,;-1.34,6.44,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.196	n/a	n/a	n/a	n/a	n/a	n/a
AMGEN INC. US Patent					Assay Description The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...				US Patent US9505749 (2016) BindingDB Entry DOI: 10.7270/Q2FN154F
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50234916 (CHEMBL4098188) Show SMILES O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1ccc(cc1)C(=O)Nc1cccc2cccnc12 Show InChI InChI=1S/C27H21N5O3/c33-24(15-14-23-30-21-8-2-1-7-20(21)27(35)32-23)29-19-12-10-18(11-13-19)26(34)31-22-9-3-5-17-6-4-16-28-25(17)22/h1-13,16H,14-15H2,(H,29,33)(H,31,34)(H,30,32,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-GST-tagged TNKS2 (849 to 1166 residues) expressed in baculovirus infected Sf9 cells using biotinylated...				J Med Chem 60: 814-820 (2017) Article DOI: 10.1021/acs.jmedchem.6b01574 BindingDB Entry DOI: 10.7270/Q20R9RPP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50234916 (CHEMBL4098188) Show SMILES O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1ccc(cc1)C(=O)Nc1cccc2cccnc12 Show InChI InChI=1S/C27H21N5O3/c33-24(15-14-23-30-21-8-2-1-7-20(21)27(35)32-23)29-19-12-10-18(11-13-19)26(34)31-22-9-3-5-17-6-4-16-28-25(17)22/h1-13,16H,14-15H2,(H,29,33)(H,31,34)(H,30,32,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Effect on IP3 turnover by phospholipaseC positively linked to human NK1 receptor expressed in CHO cells				Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-2 (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	0.200	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-2 (Homo sapiens (Human))	BDBM50234916 (CHEMBL4098188) Show SMILES O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1ccc(cc1)C(=O)Nc1cccc2cccnc12 Show InChI InChI=1S/C27H21N5O3/c33-24(15-14-23-30-21-8-2-1-7-20(21)27(35)32-23)29-19-12-10-18(11-13-19)26(34)31-22-9-3-5-17-6-4-16-28-25(17)22/h1-13,16H,14-15H2,(H,29,33)(H,31,34)(H,30,32,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.204	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-GST-tagged TNKS2 (849 to 1166 residues) expressed in baculovirus infected Sf9 cells using biotinylated...				J Med Chem 60: 814-820 (2017) Article DOI: 10.1021/acs.jmedchem.6b01574 BindingDB Entry DOI: 10.7270/Q20R9RPP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-2 [946-1162] (Homo sapiens (Human))	BDBM259550 (US9505749, 61) Show SMILES O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCC(CC1)n1c2cccc(C#N)c2[nH]c1=O Show InChI InChI=1S/C25H24N6O3/c26-15-16-5-3-8-20-23(16)29-25(34)31(20)17-11-13-30(14-12-17)22(32)10-4-9-21-27-19-7-2-1-6-18(19)24(33)28-21/h1-3,5-8,17H,4,9-14H2,(H,29,34)(H,27,28,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.206	n/a	n/a	n/a	n/a	n/a	n/a
AMGEN INC. US Patent					Assay Description The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...				US Patent US9505749 (2016) BindingDB Entry DOI: 10.7270/Q2FN154F
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (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	0.210	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-2 (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	0.220	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-2 [946-1162] (Homo sapiens (Human))	BDBM259574 (US9505749, 85) Show SMILES Clc1ccc2n([C@H]3CC[C@@H](CC3)NC(=O)CCc3nc4ccccc4c(=O)[nH]3)c(=O)[nH]c2c1 |r,wU:6.5,wD:9.12,(-.35,-6.38,;.74,-5.29,;.26,-3.82,;1.29,-2.68,;2.8,-3,;4.04,-2.09,;4.04,-.55,;2.71,.22,;2.71,1.76,;4.04,2.53,;5.38,1.76,;5.38,.22,;4.04,4.07,;2.71,4.84,;2.71,6.38,;1.38,4.07,;.04,4.84,;-1.29,4.07,;-2.62,4.84,;-3.96,4.07,;-5.29,4.84,;-6.62,4.07,;-6.62,2.53,;-5.29,1.76,;-3.96,2.53,;-2.62,1.76,;-2.62,.22,;-1.29,2.53,;5.29,-3,;6.62,-2.23,;4.81,-4.46,;3.27,-4.46,;2.24,-5.61,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.227	n/a	n/a	n/a	n/a	n/a	n/a
AMGEN INC. US Patent					Assay Description The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...				US Patent US9505749 (2016) BindingDB Entry DOI: 10.7270/Q2FN154F
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 [946-1162] (Homo sapiens (Human))	BDBM259520 (US9505749, 31) Show SMILES Fc1cccc(c1)-c1nnc(o1)[C@H]1CC[C@@H](CC1)NC(=O)CCCc1nc2ccccc2c(=O)[nH]1 |r,wU:15.20,wD:12.13,(-.58,-6.12,;.91,-6.52,;1.31,-8.01,;2.79,-8.41,;3.88,-7.32,;3.48,-5.83,;2,-5.43,;4.57,-4.74,;6.11,-4.74,;6.59,-3.28,;5.34,-2.37,;4.1,-3.28,;5.34,-.83,;6.68,-.06,;6.68,1.48,;5.34,2.25,;4.01,1.48,;4.01,-.06,;5.33,3.79,;3.99,4.56,;3.99,6.1,;2.66,3.79,;1.33,4.56,;-.01,3.79,;-1.34,4.56,;-2.68,3.79,;-4.01,4.56,;-5.34,3.79,;-6.68,4.56,;-6.68,6.1,;-5.34,6.87,;-4.01,6.1,;-2.68,6.87,;-2.68,8.41,;-1.34,6.1,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.237	n/a	n/a	n/a	n/a	n/a	n/a
AMGEN INC. US Patent					Assay Description The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...				US Patent US9505749 (2016) BindingDB Entry DOI: 10.7270/Q2FN154F
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (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	0.240	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-2 (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	0.25	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-2 (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	0.25	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 2 autophosphorylation				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-2 (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	0.260	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 2 autophosphorylation				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-2 [946-1162] (Homo sapiens (Human))	BDBM259599 (US9505749, 112) Show SMILES Clc1cccc(O[C@H]2CC[C@@H](CC2)NC(=O)CCSc2nc3ccccc3c(=O)[nH]2)c1 |r,wU:10.13,wD:7.6,(4,-5,;5.33,-4.23,;6.67,-5,;8,-4.23,;8,-2.69,;6.67,-1.93,;6.67,-.38,;5.33,.38,;5.33,1.93,;4,2.69,;2.67,1.93,;2.67,.38,;4,-.38,;1.33,2.69,;1.33,4.23,;2.67,5,;,5,;-1.33,4.23,;-2.67,5,;-4,4.23,;-4,2.69,;-5.33,1.93,;-5.33,.38,;-6.67,-.38,;-8,.38,;-8,1.93,;-6.67,2.69,;-6.67,4.23,;-8,5,;-5.33,5,;5.33,-2.69,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.264	n/a	n/a	n/a	n/a	n/a	n/a
AMGEN INC. US Patent					Assay Description The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...				US Patent US9505749 (2016) BindingDB Entry DOI: 10.7270/Q2FN154F
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (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	0.270	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 2 autophosphorylation				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-2 [946-1162] (Homo sapiens (Human))	BDBM259525 (US9505749, 36) Show SMILES Clc1cccc(c1)-c1nnc(o1)[C@H]1CC[C@@H](CC1)NC(=O)CCCc1nc2ccccc2c(=O)[nH]1 |r,wU:15.20,wD:12.13,(-.58,-6.12,;.91,-6.52,;1.31,-8.01,;2.79,-8.41,;3.88,-7.32,;3.48,-5.83,;2,-5.43,;4.57,-4.74,;6.11,-4.74,;6.59,-3.28,;5.34,-2.37,;4.1,-3.28,;5.34,-.83,;6.68,-.06,;6.68,1.48,;5.34,2.25,;4.01,1.48,;4.01,-.06,;5.33,3.79,;3.99,4.56,;3.99,6.1,;2.66,3.79,;1.33,4.56,;-.01,3.79,;-1.34,4.56,;-2.68,3.79,;-4.01,4.56,;-5.34,3.79,;-6.68,4.56,;-6.68,6.1,;-5.34,6.87,;-4.01,6.1,;-2.68,6.87,;-2.68,8.41,;-1.34,6.1,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.270	n/a	n/a	n/a	n/a	n/a	n/a
AMGEN INC. US Patent					Assay Description The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...				US Patent US9505749 (2016) BindingDB Entry DOI: 10.7270/Q2FN154F
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (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	0.280	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 TNKS2 (873 to 1166 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-2 (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	0.290	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 2 autophosphorylation				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-2 [946-1162] (Homo sapiens (Human))	BDBM259557 (US9505749, 68) Show SMILES O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCC(CC1)n1c2ccc(cc2[nH]c1=O)C#N Show InChI InChI=1S/C25H24N6O3/c26-15-16-8-9-21-20(14-16)28-25(34)31(21)17-10-12-30(13-11-17)23(32)7-3-6-22-27-19-5-2-1-4-18(19)24(33)29-22/h1-2,4-5,8-9,14,17H,3,6-7,10-13H2,(H,28,34)(H,27,29,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.292	n/a	n/a	n/a	n/a	n/a	n/a
AMGEN INC. US Patent					Assay Description The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...				US Patent US9505749 (2016) BindingDB Entry DOI: 10.7270/Q2FN154F
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 [946-1162] (Homo sapiens (Human))	BDBM259600 (US9505749, 113) Show SMILES Clc1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)CCSc2nc3ccccc3c(=O)[nH]2)cc1C#N |r,wU:9.12,wD:6.5,(6.67,-5.77,;6.67,-4.24,;8,-3.47,;8,-1.93,;6.67,-1.16,;6.67,.38,;5.33,1.15,;5.33,2.69,;4,3.46,;2.67,2.69,;2.67,1.15,;4,.38,;1.33,3.46,;1.33,5,;2.67,5.77,;,5.77,;-1.33,5,;-2.67,5.77,;-4,5,;-4,3.46,;-5.33,2.69,;-5.33,1.15,;-6.67,.38,;-8,1.15,;-8,2.69,;-6.67,3.46,;-6.67,5,;-8,5.77,;-5.33,5.77,;5.33,-1.93,;5.33,-3.47,;4,-4.24,;2.67,-5.01,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.294	n/a	n/a	n/a	n/a	n/a	n/a
AMGEN INC. US Patent					Assay Description The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...				US Patent US9505749 (2016) BindingDB Entry DOI: 10.7270/Q2FN154F
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (Homo sapiens (Human))	BDBM50540762 (CHEMBL4638701) Show SMILES O=c1[nH]c(SCCN2CCN(CCSc3nc4ccccc4c(=O)[nH]3)CC2)nc2ccccc12 Show InChI InChI=1S/C24H26N6O2S2/c31-21-17-5-1-3-7-19(17)25-23(27-21)33-15-13-29-9-11-30(12-10-29)14-16-34-24-26-20-8-4-2-6-18(20)22(32)28-24/h1-8H,9-16H2,(H,25,27,31)(H,26,28,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples Curated by ChEMBL					Assay Description Inhibition of full length human N-terminal GST-tagged TNKS2 ADP-ART catalytic domain (1001 to 1327 residues) using histone H2A as substrate incubated...				ACS Med Chem Lett 11: 862-868 (2020) Article DOI: 10.1021/acsmedchemlett.9b00654 BindingDB Entry DOI: 10.7270/Q21J9FBQ
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 [946-1162] (Homo sapiens (Human))	BDBM259521 (US9505749, 32) Show SMILES COc1cccc(c1)-c1nnc(o1)[C@H]1CC[C@@H](CC1)NC(=O)CCCc1nc2ccccc2c(=O)[nH]1 |r,wU:16.21,wD:13.14,(-1.67,-7.21,;-.58,-6.12,;.91,-6.52,;1.31,-8.01,;2.79,-8.41,;3.88,-7.32,;3.48,-5.83,;2,-5.43,;4.57,-4.74,;6.11,-4.74,;6.59,-3.28,;5.34,-2.37,;4.1,-3.28,;5.34,-.83,;6.68,-.06,;6.68,1.48,;5.34,2.25,;4.01,1.48,;4.01,-.06,;5.33,3.79,;3.99,4.56,;3.99,6.1,;2.66,3.79,;1.33,4.56,;-.01,3.79,;-1.34,4.56,;-2.68,3.79,;-4.01,4.56,;-5.34,3.79,;-6.68,4.56,;-6.68,6.1,;-5.34,6.87,;-4.01,6.1,;-2.68,6.87,;-2.68,8.41,;-1.34,6.1,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.301	n/a	n/a	n/a	n/a	n/a	n/a
AMGEN INC. US Patent					Assay Description The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...				US Patent US9505749 (2016) BindingDB Entry DOI: 10.7270/Q2FN154F
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 [946-1162] (Homo sapiens (Human))	BDBM259596 (US9505749, 109) Show SMILES O=C(CCSc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)Oc1cccc(c1)C#N |r,wU:17.18,wD:20.25,(2.67,5.39,;1.33,4.62,;,5.39,;-1.33,4.62,;-2.67,5.39,;-4,4.62,;-4,3.08,;-5.33,2.31,;-5.33,.77,;-6.67,,;-8,.77,;-8,2.31,;-6.67,3.08,;-6.67,4.62,;-8,5.39,;-5.33,5.39,;1.33,3.08,;2.67,2.31,;4,3.08,;5.33,2.31,;5.33,.77,;4,,;2.67,.77,;6.67,,;6.67,-1.54,;8,-2.31,;8,-3.85,;6.67,-4.62,;5.33,-3.85,;5.33,-2.31,;4,-4.62,;2.67,-5.39,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.302	n/a	n/a	n/a	n/a	n/a	n/a
AMGEN INC. US Patent					Assay Description The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...				US Patent US9505749 (2016) BindingDB Entry DOI: 10.7270/Q2FN154F
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 [946-1162] (Homo sapiens (Human))	BDBM259517 (US9505749, 28) Show SMILES Fc1ccc(cc1)-c1nnc(o1)[C@H]1CC[C@@H](CC1)NC(=O)CCCc1nc2ccccc2c(=O)[nH]1 |r,wU:15.20,wD:12.13,(.22,-8.75,;1.31,-7.66,;.91,-6.18,;2,-5.09,;3.48,-5.49,;3.88,-6.97,;2.79,-8.06,;4.57,-4.4,;6.11,-4.4,;6.59,-2.93,;5.34,-2.03,;4.1,-2.93,;5.34,-.49,;6.68,.28,;6.68,1.82,;5.34,2.59,;4.01,1.82,;4.01,.28,;5.33,4.13,;3.99,4.9,;3.99,6.44,;2.66,4.13,;1.33,4.9,;-.01,4.13,;-1.34,4.9,;-2.68,4.13,;-4.01,4.9,;-5.34,4.13,;-6.68,4.9,;-6.68,6.44,;-5.34,7.21,;-4.01,6.44,;-2.68,7.21,;-2.68,8.75,;-1.34,6.44,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.303	n/a	n/a	n/a	n/a	n/a	n/a
AMGEN INC. US Patent					Assay Description The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...				US Patent US9505749 (2016) BindingDB Entry DOI: 10.7270/Q2FN154F
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (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	0.320	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-2 (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	0.330	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-2 [946-1162] (Homo sapiens (Human))	BDBM259522 (US9505749, 33) Show SMILES O=C(CCCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)c1nnc(o1)-c1ccncc1 |r,wU:17.18,wD:20.25,(3.99,6.1,;3.99,4.56,;2.66,3.79,;1.33,4.56,;-.01,3.79,;-1.34,4.56,;-2.68,3.79,;-4.01,4.56,;-5.34,3.79,;-6.68,4.56,;-6.68,6.1,;-5.34,6.87,;-4.01,6.1,;-2.68,6.87,;-2.68,8.41,;-1.34,6.1,;5.33,3.79,;5.34,2.25,;6.68,1.48,;6.68,-.06,;5.34,-.83,;4.01,-.06,;4.01,1.48,;5.34,-2.37,;6.59,-3.28,;6.11,-4.74,;4.57,-4.74,;4.1,-3.28,;3.48,-5.83,;2,-5.43,;.91,-6.52,;1.31,-8.01,;2.79,-8.41,;3.88,-7.32,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.341	n/a	n/a	n/a	n/a	n/a	n/a
AMGEN INC. US Patent					Assay Description The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...				US Patent US9505749 (2016) BindingDB Entry DOI: 10.7270/Q2FN154F
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 [946-1162] (Homo sapiens (Human))	BDBM259575 (US9505749, 86) Show SMILES Clc1ccc2[nH]c(=O)n([C@H]3CC[C@@H](CC3)NC(=O)CCc3nc4ccccc4c(=O)[nH]3)c2c1 |r,wU:12.15,wD:9.8,(5.96,-4.68,;6.73,-3.35,;8.27,-3.35,;9.04,-2.02,;8.27,-.68,;8.74,.78,;7.5,1.69,;7.5,3.23,;6.25,.78,;4.76,1.18,;4.36,2.67,;2.88,3.07,;1.79,1.98,;2.19,.49,;3.67,.09,;.3,2.37,;-1.03,3.14,;-1.03,4.68,;-2.37,2.37,;-3.7,3.14,;-5.03,2.37,;-5.03,.83,;-6.37,.06,;-6.37,-1.48,;-7.7,-2.25,;-9.04,-1.48,;-9.04,.06,;-7.7,.83,;-7.7,2.37,;-9.04,3.14,;-6.37,3.14,;6.73,-.68,;5.96,-2.02,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.347	n/a	n/a	n/a	n/a	n/a	n/a
AMGEN INC. US Patent					Assay Description The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...				US Patent US9505749 (2016) BindingDB Entry DOI: 10.7270/Q2FN154F
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (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	0.360	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-2 [946-1162] (Homo sapiens (Human))	BDBM259588 (US9505749, 100) Show SMILES Fc1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)CCSc2nc3ccccc3c(=O)[nH]2)cc1 |r,wU:9.12,wD:6.5,(6.67,-5.78,;6.67,-4.23,;5.33,-3.47,;5.33,-1.93,;6.67,-1.15,;6.67,.38,;5.33,1.15,;5.33,2.69,;4,3.47,;2.67,2.69,;2.67,1.15,;4,.38,;1.33,3.47,;1.33,5,;2.67,5.78,;,5.78,;-1.33,5,;-2.67,5.78,;-4,5,;-4,3.47,;-5.33,2.69,;-5.33,1.15,;-6.67,.38,;-8,1.15,;-8,2.69,;-6.67,3.47,;-6.67,5,;-8,5.78,;-5.33,5.78,;8,-1.93,;8,-3.47,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.362	n/a	n/a	n/a	n/a	n/a	n/a
AMGEN INC. US Patent					Assay Description The tankyrase 1 biochemical activity of the compounds was assayed in the following assay buffer (50 mM MOPS pH7.5, 100 mM NaCl, 2.5 mM MgCl2, 0.01% T...				US Patent US9505749 (2016) BindingDB Entry DOI: 10.7270/Q2FN154F
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 (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	0.370	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

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