Compile Data Set for Download or QSAR

Found 1453 hits Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase tankyrase-1'   

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))	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-1 [1091-1325] (Homo sapiens (Human))	BDBM259592 (US9505749, 104) Show SMILES O=C(CCSc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)n1c2ccc(cc2[nH]c1=O)C#N |r,wU:17.18,wD:20.25,(-2.42,-1.15,;-2.42,-2.69,;-3.75,-3.47,;-5.09,-2.69,;-5.09,-1.15,;-6.42,-.38,;-7.75,-1.15,;-9.09,-.38,;-10.42,-1.15,;-11.75,-.38,;-11.75,1.15,;-10.42,1.93,;-9.09,1.15,;-7.75,1.93,;-7.75,3.47,;-6.42,1.15,;-1.08,-3.47,;.25,-2.69,;.25,-1.15,;1.58,-.38,;2.92,-1.15,;2.92,-2.69,;1.58,-3.47,;4.25,-.38,;5.72,-.86,;6.34,-2.27,;7.87,-2.43,;8.78,-1.18,;8.15,.22,;6.62,.38,;5.72,1.63,;4.25,1.15,;2.92,1.93,;10.27,-1.58,;11.75,-1.98,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0450	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-1/tankyrase-2 (Homo sapiens (Human))	BDBM50541717 (CHEMBL4646640) Show SMILES Clc1ccccc1-n1c(nnc1-c1ccncn1)[C@H]1C[C@@H](C1)NC(=O)c1ccnc2cccnc12 |r,wU:20.25,wD:18.20,(11.34,-6.67,;10,-7.45,;10,-8.99,;8.66,-9.76,;7.32,-8.99,;7.32,-7.45,;8.66,-6.68,;8.66,-5.14,;9.91,-4.23,;9.44,-2.76,;7.89,-2.76,;7.41,-4.23,;5.95,-4.71,;5.63,-6.21,;4.17,-6.69,;3.01,-5.66,;3.34,-4.15,;4.81,-3.67,;11.38,-4.71,;12.08,-6.09,;13.45,-5.38,;12.76,-4.01,;14.92,-5.87,;16.07,-4.84,;15.75,-3.34,;17.53,-5.32,;18.66,-4.3,;20.12,-4.77,;20.44,-6.28,;19.29,-7.3,;19.6,-8.79,;18.47,-9.81,;17.01,-9.34,;16.7,-7.84,;17.84,-6.82,)| Show InChI InChI=1S/C25H19ClN8O/c26-18-4-1-2-6-21(18)34-23(32-33-24(34)20-8-10-27-14-30-20)15-12-16(13-15)31-25(35)17-7-11-28-19-5-3-9-29-22(17)19/h1-11,14-16H,12-13H2,(H,31,35)/t15-,16-	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0480	n/a	n/a	n/a	n/a	n/a	n/a
University of Oslo Curated by ChEMBL					Assay Description Inhibition of TNKS1/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by dual-glo lucifer...				J Med Chem 63: 6834-6846 (2020) Article DOI: 10.1021/acs.jmedchem.0c00208 BindingDB Entry DOI: 10.7270/Q2RR22SX
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325] (Homo sapiens (Human))	BDBM259576 (US9505749, 87) Show SMILES Clc1ccc2n([C@H]3CC[C@@H](CC3)NC(=O)CSc3nc4ccccc4c(=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	0.0597	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-1 [1091-1325] (Homo sapiens (Human))	BDBM259607 (US9505749, 120) Show SMILES COc1cccc(c1)-c1nnc(o1)[C@H]1CC[C@@H](CC1)NC(=O)CCSc1nc2ccccc2c(=O)[nH]1 |r,wU:16.21,wD:13.14,(11.82,-3.63,;10.33,-3.23,;9.93,-1.74,;11.02,-.65,;10.62,.84,;9.13,1.24,;8.04,.15,;8.44,-1.34,;6.56,.55,;5.65,1.79,;4.19,1.32,;4.19,-.22,;5.65,-.7,;2.85,-.99,;1.52,-.22,;.19,-.99,;.19,-2.53,;1.52,-3.3,;2.85,-2.53,;-1.15,-3.3,;-2.48,-2.53,;-2.48,-.99,;-3.81,-3.3,;-5.15,-2.53,;-5.15,-.99,;-6.48,-.22,;-7.82,-.99,;-9.15,-.22,;-10.48,-.99,;-11.82,-.22,;-11.82,1.32,;-10.48,2.09,;-9.15,1.32,;-7.82,2.09,;-7.82,3.63,;-6.48,1.32,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0647	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-1 [1091-1325] (Homo sapiens (Human))	BDBM259608 (US9505749, 121) Show SMILES COc1ccc(cc1)-c1nnc(o1)[C@H]1CC[C@@H](CC1)NC(=O)CCSc1nc2ccccc2c(=O)[nH]1 |r,wU:16.21,wD:13.14,(12.71,-.12,;11.62,-1.21,;10.13,-.81,;9.04,-1.9,;7.55,-1.5,;7.15,-.01,;8.24,1.08,;9.73,.68,;5.67,.38,;4.76,1.63,;3.3,1.15,;3.3,-.38,;4.76,-.86,;1.96,-1.15,;.63,-.38,;-.7,-1.15,;-.7,-2.69,;.63,-3.47,;1.96,-2.69,;-2.04,-3.47,;-3.37,-2.69,;-3.37,-1.15,;-4.7,-3.47,;-6.04,-2.69,;-6.04,-1.15,;-7.37,-.38,;-8.71,-1.15,;-10.04,-.38,;-11.37,-1.15,;-12.71,-.38,;-12.71,1.15,;-11.37,1.93,;-10.04,1.15,;-8.71,1.93,;-8.71,3.47,;-7.37,1.15,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0724	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-1 [1091-1325] (Homo sapiens (Human))	BDBM259529 (US9505749, 40) Show SMILES O=C(CCSc1nc2ccccc2c(=O)[nH]1)N[C@H]1C[C@@H](C1)c1nnc(o1)-c1ccccc1 |r,wU:19.23,wD:17.18,(-1.01,-.23,;-1.41,-1.72,;-2.9,-2.11,;-3.98,-1.03,;-5.47,-1.42,;-6.56,-.34,;-8.05,-.73,;-9.14,.36,;-10.63,-.04,;-11.71,1.05,;-11.32,2.53,;-9.83,2.93,;-8.74,1.84,;-7.25,2.24,;-6.85,3.73,;-6.16,1.15,;-.32,-2.8,;1.17,-2.41,;2.5,-3.18,;3.27,-1.84,;1.94,-1.07,;4.76,-1.44,;5.24,.02,;6.78,.02,;7.25,-1.44,;6.01,-2.35,;8.74,-1.84,;9.83,-.75,;11.32,-1.15,;11.71,-2.64,;10.63,-3.73,;9.14,-3.33,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0891	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-1 [1091-1325] (Homo sapiens (Human))	BDBM50446537 (CHEMBL3110100 | US9505749, 106) Show SMILES O=C(CCSc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)Oc1ccc(cc1)C#N |r,wU:20.25,wD:17.18,(59.2,-17.39,;59.2,-18.93,;57.86,-19.7,;56.53,-18.93,;55.19,-19.69,;53.86,-18.92,;52.51,-19.69,;51.18,-18.92,;49.85,-19.68,;48.51,-18.91,;48.51,-17.37,;49.84,-16.6,;51.18,-17.36,;52.52,-16.58,;52.52,-15.04,;53.86,-17.36,;60.53,-19.71,;61.86,-18.92,;63.2,-19.69,;64.53,-18.91,;64.52,-17.37,;63.17,-16.61,;61.85,-17.39,;65.85,-16.59,;67.19,-17.35,;67.2,-18.89,;68.54,-19.64,;69.87,-18.86,;69.85,-17.31,;68.51,-16.56,;71.21,-19.62,;72.55,-20.37,)| Show InChI InChI=1S/C24H24N4O3S/c25-15-16-5-9-18(10-6-16)31-19-11-7-17(8-12-19)26-22(29)13-14-32-24-27-21-4-2-1-3-20(21)23(30)28-24/h1-6,9-10,17,19H,7-8,11-14H2,(H,26,29)(H,27,28,30)/t17-,19-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	0.0973	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				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325] (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	0.0979	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-1/tankyrase-2 (Homo sapiens (Human))	BDBM50511570 (CHEMBL4442053) Show SMILES CN1CCCc2c1nc([nH]c2=O)N1CCC2(CC1)C(=O)N(CS(C)(=O)=O)c1cc(F)cc(F)c21 Show InChI InChI=1S/C22H25F2N5O4S/c1-27-7-3-4-14-18(27)25-21(26-19(14)30)28-8-5-22(6-9-28)17-15(24)10-13(23)11-16(17)29(20(22)31)12-34(2,32)33/h10-11H,3-9,12H2,1-2H3,(H,25,26,30)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Japanese Foundation for Cancer Research Curated by ChEMBL					Assay Description Inhibition of TNKS/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferase re...				J Med Chem 63: 4183-4204 (2020) Article DOI: 10.1021/acs.jmedchem.0c00045 BindingDB Entry DOI: 10.7270/Q2XD150K
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2 (Homo sapiens (Human))	BDBM50511565 (CHEMBL4539435) Show SMILES C[C@H]1CN(C[C@@H](C)N1)c1cc2N(C)C(=O)C3(CCN(CC3)c3nc4N(C)CCCc4c(=O)[nH]3)c2c(F)c1 |r| Show InChI InChI=1S/C27H36FN7O2/c1-16-14-35(15-17(2)29-16)18-12-20(28)22-21(13-18)33(4)25(37)27(22)7-10-34(11-8-27)26-30-23-19(24(36)31-26)6-5-9-32(23)3/h12-13,16-17,29H,5-11,14-15H2,1-4H3,(H,30,31,36)/t16-,17+	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Japanese Foundation for Cancer Research Curated by ChEMBL					Assay Description Inhibition of TNKS/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferase re...				J Med Chem 63: 4183-4204 (2020) Article DOI: 10.1021/acs.jmedchem.0c00045 BindingDB Entry DOI: 10.7270/Q2XD150K
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2 (Homo sapiens (Human))	BDBM50511561 (CHEMBL4446044) Show SMILES CN1C(=O)C2(CCN(CC2)c2nc3N(C)CCCc3c(=O)[nH]2)c2c1cc(cc2F)N1CCOCC1 Show InChI InChI=1S/C25H31FN6O3/c1-29-7-3-4-17-21(29)27-24(28-22(17)33)32-8-5-25(6-9-32)20-18(26)14-16(31-10-12-35-13-11-31)15-19(20)30(2)23(25)34/h14-15H,3-13H2,1-2H3,(H,27,28,33)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Japanese Foundation for Cancer Research Curated by ChEMBL					Assay Description Inhibition of TNKS/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferase re...				J Med Chem 63: 4183-4204 (2020) Article DOI: 10.1021/acs.jmedchem.0c00045 BindingDB Entry DOI: 10.7270/Q2XD150K
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2 (Homo sapiens (Human))	BDBM50511546 (CHEMBL4553990) Show SMILES CN1C(=O)C2(CCN(CC2)c2nc3N(C)CCCc3c(=O)[nH]2)c2c1cc(OC1CCN(C)CC1)cc2F Show InChI InChI=1S/C27H35FN6O3/c1-31-11-6-17(7-12-31)37-18-15-20(28)22-21(16-18)33(3)25(36)27(22)8-13-34(14-9-27)26-29-23-19(24(35)30-26)5-4-10-32(23)2/h15-17H,4-14H2,1-3H3,(H,29,30,35)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Japanese Foundation for Cancer Research Curated by ChEMBL					Assay Description Inhibition of TNKS/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferase re...				J Med Chem 63: 4183-4204 (2020) Article DOI: 10.1021/acs.jmedchem.0c00045 BindingDB Entry DOI: 10.7270/Q2XD150K
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2 (Homo sapiens (Human))	BDBM50511541 (CHEMBL4572668) Show SMILES COCCOc1cc2N(C)C(=O)C3(CCN(CC3)c3nc4N(C)CCCc4c(=O)[nH]3)c2c(F)c1 Show InChI InChI=1S/C24H30FN5O4/c1-28-8-4-5-16-20(28)26-23(27-21(16)31)30-9-6-24(7-10-30)19-17(25)13-15(34-12-11-33-3)14-18(19)29(2)22(24)32/h13-14H,4-12H2,1-3H3,(H,26,27,31)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Japanese Foundation for Cancer Research Curated by ChEMBL					Assay Description Inhibition of TNKS/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferase re...				J Med Chem 63: 4183-4204 (2020) Article DOI: 10.1021/acs.jmedchem.0c00045 BindingDB Entry DOI: 10.7270/Q2XD150K
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325] (Homo sapiens (Human))	BDBM259605 (US9505749, 118) Show SMILES Clc1cccc(c1)-c1nnc(o1)[C@H]1CC[C@@H](CC1)NC(=O)CCSc1nc2ccccc2c(=O)[nH]1 |r,wU:15.20,wD:12.13,(10.73,-3.39,;10.33,-1.9,;11.42,-.81,;11.02,.68,;9.53,1.08,;8.44,-.01,;8.84,-1.5,;6.96,.38,;6.05,1.63,;4.59,1.15,;4.59,-.38,;6.05,-.86,;3.25,-1.15,;1.92,-.38,;.58,-1.15,;.58,-2.69,;1.92,-3.47,;3.25,-2.69,;-.75,-3.47,;-2.08,-2.69,;-2.08,-1.15,;-3.42,-3.47,;-4.75,-2.69,;-4.75,-1.15,;-6.08,-.38,;-7.42,-1.15,;-8.75,-.38,;-10.08,-1.15,;-11.42,-.38,;-11.42,1.15,;-10.08,1.93,;-8.75,1.15,;-7.42,1.93,;-7.42,3.47,;-6.08,1.15,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.107	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-1 [1091-1325] (Homo sapiens (Human))	BDBM50446538 (CHEMBL3110117 | US9505749, 97) Show SMILES O=C(CCSc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)c1nnc(o1)-c1ccccc1 |r,wU:20.25,wD:17.18,(59.36,-49.64,;59.35,-51.18,;58.02,-51.95,;56.68,-51.17,;55.35,-51.94,;54.02,-51.16,;52.67,-51.94,;51.33,-51.16,;50,-51.93,;48.67,-51.16,;48.67,-49.61,;50,-48.84,;51.33,-49.61,;52.67,-48.83,;52.67,-47.29,;54.02,-49.61,;60.68,-51.95,;62.02,-51.17,;63.35,-51.94,;64.68,-51.16,;64.67,-49.62,;63.33,-48.86,;62,-49.64,;66,-48.83,;67.42,-49.44,;68.44,-48.29,;67.65,-46.96,;66.15,-47.29,;68.4,-45.62,;69.94,-45.6,;70.69,-44.26,;69.9,-42.93,;68.35,-42.96,;67.61,-44.31,)| Show InChI InChI=1S/C25H25N5O3S/c31-21(14-15-34-25-27-20-9-5-4-8-19(20)22(32)28-25)26-18-12-10-17(11-13-18)24-30-29-23(33-24)16-6-2-1-3-7-16/h1-9,17-18H,10-15H2,(H,26,31)(H,27,28,32)/t17-,18-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	0.109	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				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325] (Homo sapiens (Human))	BDBM259590 (US9505749, 102) Show SMILES Clc1ccc2[nH]c(=O)n([C@H]3CC[C@@H](CC3)NC(=O)CSc3nc4ccccc4c(=O)[nH]3)c2c1 |r,wU:12.15,wD:9.8,(7.74,-5.31,;8.06,-3.81,;9.52,-3.33,;9.84,-1.82,;8.7,-.79,;8.7,.75,;7.23,1.22,;6.46,2.56,;6.33,-.02,;4.79,-.02,;4.02,1.31,;2.48,1.31,;1.71,-.02,;2.48,-1.36,;4.02,-1.36,;.17,-.02,;-.6,1.31,;.17,2.64,;-2.14,1.31,;-2.91,2.64,;-4.45,2.64,;-5.22,1.31,;-6.76,1.31,;-7.53,-.02,;-9.07,-.02,;-9.84,1.31,;-9.07,2.64,;-7.53,2.64,;-6.76,3.98,;-7.53,5.31,;-5.22,3.98,;7.23,-1.27,;6.91,-2.77,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.118	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-1 [1091-1325] (Homo sapiens (Human))	BDBM259579 (US9505749, 90) Show SMILES Clc1ccc2n([C@H]3CC[C@@H](CC3)NC(=O)CCSc3nc4ccccc4c(=O)[nH]3)c(=O)[nH]c2c1 |r,wU:9.12,wD:6.5,(11.03,-1.34,;9.5,-1.18,;8.6,-2.43,;7.06,-2.27,;6.44,-.86,;4.97,-.38,;3.64,-1.15,;2.31,-.38,;.97,-1.15,;.97,-2.69,;2.31,-3.47,;3.64,-2.69,;-.36,-3.47,;-1.7,-2.69,;-1.7,-1.15,;-3.03,-3.47,;-4.36,-2.69,;-4.36,-1.15,;-5.7,-.38,;-7.03,-1.15,;-8.36,-.38,;-9.7,-1.15,;-11.03,-.38,;-11.03,1.15,;-9.7,1.93,;-8.36,1.15,;-7.03,1.93,;-7.03,3.47,;-5.7,1.15,;4.97,1.15,;3.64,1.93,;6.44,1.63,;7.34,.38,;8.87,.22,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.127	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-1 [1091-1325] (Homo sapiens (Human))	BDBM259591 (US9505749, 103) Show SMILES O=C(CSc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)n1c2ccc(cc2[nH]c1=O)C#N |r,wU:16.17,wD:19.24,(-.44,2.99,;-1.21,1.65,;-2.75,1.65,;-3.52,2.99,;-5.06,2.99,;-5.83,1.65,;-7.37,1.65,;-8.14,.32,;-9.68,.32,;-10.45,1.65,;-9.68,2.99,;-8.14,2.99,;-7.37,4.32,;-8.14,5.65,;-5.83,4.32,;-.44,.32,;1.1,.32,;1.87,1.65,;3.41,1.65,;4.18,.32,;3.41,-1.01,;1.87,-1.01,;5.72,.32,;6.62,-.93,;6.3,-2.43,;7.45,-3.46,;8.91,-2.99,;9.23,-1.48,;8.09,-.45,;8.09,1.09,;6.62,1.57,;5.85,2.9,;9.68,-4.32,;10.45,-5.65,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.129	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-1 [1091-1325] (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	0.145	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-1 [1091-1325] (Homo sapiens (Human))	BDBM259632 (US9505749, 145) Show SMILES Fc1ccc2nc(SCCC(=O)N[C@H]3CC[C@@H](CC3)c3nnc(o3)-c3ccccc3)[nH]c(=O)c2c1 |r,wU:13.12,wD:16.19,(-11.1,5.33,;-10.33,4,;-11.1,2.67,;-10.33,1.33,;-8.79,1.33,;-8.02,,;-6.48,,;-5.71,-1.33,;-4.17,-1.33,;-3.4,-2.67,;-1.86,-2.67,;-1.09,-1.33,;-1.09,-4,;.45,-4,;1.22,-2.67,;2.76,-2.67,;3.53,-4,;2.76,-5.33,;1.22,-5.33,;5.07,-4,;5.97,-5.25,;7.44,-4.77,;7.44,-3.23,;5.97,-2.76,;8.53,-2.14,;10.01,-2.54,;11.1,-1.45,;10.7,.04,;9.22,.43,;8.13,-.65,;-5.71,1.33,;-6.48,2.67,;-5.71,4,;-8.02,2.67,;-8.79,4,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.148	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-1 [1091-1325] (Homo sapiens (Human))	BDBM259595 (US9505749, 108) Show SMILES O=C(CCSc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)Oc1ccncc1 |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,;5.33,-2.69,;5.33,-4.23,;6.67,-5,;8,-4.23,;8,-2.69,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.153	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-1 [1091-1325] (Homo sapiens (Human))	BDBM259609 (US9505749, 122) Show SMILES Fc1ccc(cc1Cl)-c1nnc(o1)[C@H]1CC[C@@H](CC1)NC(=O)CCSc1nc2ccccc2c(=O)[nH]1 |r,wU:16.21,wD:13.14,(12.16,-1.21,;10.67,-.81,;10.28,.68,;8.79,1.08,;7.7,-.01,;8.1,-1.5,;9.59,-1.9,;9.98,-3.39,;6.21,.38,;5.31,1.63,;3.84,1.15,;3.84,-.38,;5.31,-.86,;2.51,-1.15,;1.17,-.38,;-.16,-1.15,;-.16,-2.69,;1.17,-3.47,;2.51,-2.69,;-1.49,-3.47,;-2.83,-2.69,;-2.83,-1.15,;-4.16,-3.47,;-5.49,-2.69,;-5.49,-1.15,;-6.83,-.38,;-8.16,-1.15,;-9.49,-.38,;-10.83,-1.15,;-12.16,-.38,;-12.16,1.15,;-10.83,1.93,;-9.49,1.15,;-8.16,1.93,;-8.16,3.47,;-6.83,1.15,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.153	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-1 [1091-1325] (Homo sapiens (Human))	BDBM259563 (US9505749, 74) Show SMILES Clc1ccc2n([C@H]3CC[C@@H](CC3)NC(=O)CCCc3nc4ccccc4c(=O)[nH]3)c(=O)[nH]c2c1 |r,wU:9.12,wD:6.5,(11.68,-.81,;10.19,-.41,;9.28,-1.66,;7.75,-1.5,;7.13,-.09,;5.66,.38,;4.33,-.38,;2.99,.39,;1.66,-.38,;1.66,-1.93,;2.99,-2.69,;4.33,-1.93,;.33,-2.69,;-1.01,-1.93,;-1.01,-.38,;-2.34,-2.69,;-3.67,-1.93,;-5.01,-2.69,;-6.34,-1.93,;-7.68,-2.69,;-9.01,-1.93,;-10.34,-2.69,;-11.68,-1.93,;-11.68,-.38,;-10.34,.38,;-9.01,-.38,;-7.68,.38,;-7.68,1.93,;-6.34,-.38,;5.66,1.93,;4.33,2.69,;7.13,2.4,;8.03,1.15,;9.56,.99,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.161	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-1 [1091-1325] (Homo sapiens (Human))	BDBM259603 (US9505749, 116) Show SMILES O=C(CCSc1nc2CCCCc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)Oc1ccc(cc1)C#N |r,wU:17.18,wD:20.25,(-2,-.77,;-2,-2.31,;-3.33,-3.08,;-4.67,-2.31,;-4.67,-.77,;-6,,;-7.34,-.77,;-8.67,,;-10,-.77,;-11.34,,;-11.34,1.54,;-10,2.31,;-8.67,1.54,;-7.34,2.31,;-7.34,3.85,;-6,1.54,;-.67,-3.08,;.67,-2.31,;.67,-.77,;2,,;3.33,-.77,;3.33,-2.31,;2,-3.08,;4.67,,;6,-.77,;6,-2.31,;7.34,-3.08,;8.67,-2.31,;8.67,-.77,;7.34,,;10,-3.08,;11.34,-3.85,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.167	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-1 [1091-1325] (Homo sapiens (Human))	BDBM259601 (US9505749, 114) Show SMILES Clc1cc(O[C@H]2CC[C@@H](CC2)NC(=O)CCSc2nc3ccccc3c(=O)[nH]2)ccc1C#N |r,wU:8.11,wD:5.4,(4,-3.47,;5.33,-2.69,;5.33,-1.15,;6.67,-.38,;6.67,1.15,;5.33,1.93,;5.33,3.47,;4,4.23,;2.67,3.47,;2.67,1.93,;4,1.15,;1.33,4.23,;1.33,5.78,;2.67,6.54,;,6.54,;-1.33,5.78,;-2.67,6.54,;-4,5.78,;-4,4.23,;-5.33,3.47,;-5.33,1.93,;-6.67,1.15,;-8,1.93,;-8,3.47,;-6.67,4.23,;-6.67,5.78,;-8,6.54,;-5.33,6.54,;8,-1.15,;8,-2.69,;6.67,-3.47,;6.67,-5,;6.67,-6.54,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.176	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-1 [1091-1325] (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	0.176	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-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 [1091-1325] (Homo sapiens (Human))	BDBM259562 (US9505749, 73) Show SMILES O=C(CCCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)n1c2ccccc2[nH]c1=O |r,wU:17.18,wD:20.25,(-.26,-.38,;-.26,-1.93,;-1.6,-2.69,;-2.93,-1.93,;-4.26,-2.69,;-5.6,-1.93,;-6.93,-2.69,;-8.27,-1.93,;-9.6,-2.69,;-10.93,-1.93,;-10.93,-.38,;-9.6,.38,;-8.27,-.38,;-6.93,.38,;-6.93,1.93,;-5.6,-.38,;1.07,-2.69,;2.4,-1.93,;2.4,-.38,;3.74,.39,;5.07,-.38,;5.07,-1.93,;3.74,-2.69,;6.41,.38,;7.87,-.09,;8.5,-1.5,;10.03,-1.66,;10.93,-.41,;10.31,.99,;8.77,1.15,;7.87,2.4,;6.41,1.93,;5.07,2.69,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.186	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-1 [1091-1325] (Homo sapiens (Human))	BDBM259602 (US9505749, 115) Show SMILES O=C(CCSc1nc2CCCCc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)c1nnc(o1)-c1ccccc1 |r,wU:17.18,wD:20.25,(-1.09,.88,;-1.86,-.45,;-3.4,-.45,;-4.17,.88,;-5.71,.88,;-6.48,2.22,;-8.02,2.22,;-8.79,3.55,;-10.33,3.55,;-11.1,4.89,;-10.33,6.22,;-8.79,6.22,;-8.02,4.89,;-6.48,4.89,;-5.71,6.22,;-5.71,3.55,;-1.09,-1.78,;.45,-1.78,;1.22,-.45,;2.76,-.45,;3.53,-1.78,;2.76,-3.12,;1.22,-3.12,;5.07,-1.78,;5.97,-.54,;7.44,-1.01,;7.44,-2.55,;5.97,-3.03,;8.53,-3.64,;8.13,-5.13,;9.22,-6.22,;10.7,-5.82,;11.1,-4.33,;10.01,-3.24,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.187	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-1 [1091-1325] (Homo sapiens (Human))	BDBM259606 (US9505749, 119) Show SMILES Fc1cccc(c1)-c1nnc(o1)[C@H]1CC[C@@H](CC1)NC(=O)CCSc1nc2ccccc2c(=O)[nH]1 |r,wU:15.20,wD:12.13,(10.73,-3.39,;10.33,-1.9,;11.42,-.81,;11.02,.68,;9.53,1.08,;8.44,-.01,;8.84,-1.5,;6.96,.38,;6.05,1.63,;4.59,1.15,;4.59,-.38,;6.05,-.86,;3.25,-1.15,;1.92,-.38,;.58,-1.15,;.58,-2.69,;1.92,-3.47,;3.25,-2.69,;-.75,-3.47,;-2.08,-2.69,;-2.08,-1.15,;-3.42,-3.47,;-4.75,-2.69,;-4.75,-1.15,;-6.08,-.38,;-7.42,-1.15,;-8.75,-.38,;-10.08,-1.15,;-11.42,-.38,;-11.42,1.15,;-10.08,1.93,;-8.75,1.15,;-7.42,1.93,;-7.42,3.47,;-6.08,1.15,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.194	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-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/tankyrase-2 (Homo sapiens (Human))	BDBM50511537 (CHEMBL4470270) Show SMILES CN1CCCc2c1nc([nH]c2=O)N1CCC2(CC1)C(=O)N(CC(F)(F)F)c1cc(F)cc(F)c21 Show InChI InChI=1S/C22H22F5N5O2/c1-30-6-2-3-13-17(30)28-20(29-18(13)33)31-7-4-21(5-8-31)16-14(24)9-12(23)10-15(16)32(19(21)34)11-22(25,26)27/h9-10H,2-8,11H2,1H3,(H,28,29,33)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	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
Japanese Foundation for Cancer Research Curated by ChEMBL					Assay Description Inhibition of TNKS/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferase re...				J Med Chem 63: 4183-4204 (2020) Article DOI: 10.1021/acs.jmedchem.0c00045 BindingDB Entry DOI: 10.7270/Q2XD150K
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2 (Homo sapiens (Human))	BDBM50511536 (CHEMBL4585076) Show SMILES Cc1cccc2c1nc([nH]c2=O)N1CCC2(CC1)C(=O)N(CCO)c1cc(F)cc(F)c21 Show InChI InChI=1S/C23H22F2N4O3/c1-13-3-2-4-15-19(13)26-22(27-20(15)31)28-7-5-23(6-8-28)18-16(25)11-14(24)12-17(18)29(9-10-30)21(23)32/h2-4,11-12,30H,5-10H2,1H3,(H,26,27,31)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	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
Japanese Foundation for Cancer Research Curated by ChEMBL					Assay Description Inhibition of TNKS/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferase re...				J Med Chem 63: 4183-4204 (2020) Article DOI: 10.1021/acs.jmedchem.0c00045 BindingDB Entry DOI: 10.7270/Q2XD150K
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2 (Homo sapiens (Human))	BDBM50511553 (CHEMBL4532667) Show SMILES CN1CCCc2c1nc([nH]c2=O)N1CCC2(CC1)C(=O)N(CC#N)c1cc(F)cc(F)c21 Show InChI InChI=1S/C22H22F2N6O2/c1-28-7-2-3-14-18(28)26-21(27-19(14)31)29-8-4-22(5-9-29)17-15(24)11-13(23)12-16(17)30(10-6-25)20(22)32/h11-12H,2-5,7-10H2,1H3,(H,26,27,31)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	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
Japanese Foundation for Cancer Research Curated by ChEMBL					Assay Description Inhibition of TNKS/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferase re...				J Med Chem 63: 4183-4204 (2020) Article DOI: 10.1021/acs.jmedchem.0c00045 BindingDB Entry DOI: 10.7270/Q2XD150K
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2 (Homo sapiens (Human))	BDBM50511568 (CHEMBL4470218) Show SMILES COc1cc2N(C)C(=O)C3(CCN(CC3)c3nc4N(C)CCCc4c(=O)[nH]3)c2c(F)c1 Show InChI InChI=1S/C22H26FN5O3/c1-26-8-4-5-14-18(26)24-21(25-19(14)29)28-9-6-22(7-10-28)17-15(23)11-13(31-3)12-16(17)27(2)20(22)30/h11-12H,4-10H2,1-3H3,(H,24,25,29)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	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
Japanese Foundation for Cancer Research Curated by ChEMBL					Assay Description Inhibition of TNKS/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferase re...				J Med Chem 63: 4183-4204 (2020) Article DOI: 10.1021/acs.jmedchem.0c00045 BindingDB Entry DOI: 10.7270/Q2XD150K
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325] (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	0.206	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-1 [1091-1325] (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	0.224	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-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 [1091-1325] (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	0.237	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-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 [1091-1325] (Homo sapiens (Human))	BDBM259604 (US9505749, 117) Show SMILES Fc1ccc(cc1)-c1nnc(o1)[C@H]1CC[C@@H](CC1)NC(=O)CCSc1nc2ccccc2c(=O)[nH]1 |r,wU:15.20,wD:12.13,(12.16,-1.21,;10.67,-.81,;9.59,-1.9,;8.1,-1.5,;7.7,-.01,;8.79,1.08,;10.28,.68,;6.21,.38,;5.31,1.63,;3.84,1.15,;3.84,-.38,;5.31,-.86,;2.51,-1.15,;1.17,-.38,;-.16,-1.15,;-.16,-2.69,;1.17,-3.47,;2.51,-2.69,;-1.49,-3.47,;-2.83,-2.69,;-2.83,-1.15,;-4.16,-3.47,;-5.49,-2.69,;-5.49,-1.15,;-6.83,-.38,;-8.16,-1.15,;-9.49,-.38,;-10.83,-1.15,;-12.16,-.38,;-12.16,1.15,;-10.83,1.93,;-9.49,1.15,;-8.16,1.93,;-8.16,3.47,;-6.83,1.15,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.269	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-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 [1091-1325] (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	0.277	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-1 [1091-1325] (Homo sapiens (Human))	BDBM259611 (US9505749, 124) Show SMILES O=C(CCSc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)c1nnc(o1)-c1ccncc1 |r,wU:17.18,wD:20.25,(-1.09,.88,;-1.86,-.45,;-3.4,-.45,;-4.17,.88,;-5.71,.88,;-6.48,2.22,;-8.02,2.22,;-8.79,3.55,;-10.33,3.55,;-11.1,4.89,;-10.33,6.22,;-8.79,6.22,;-8.02,4.89,;-6.48,4.89,;-5.71,6.22,;-5.71,3.55,;-1.09,-1.78,;.45,-1.78,;1.22,-.45,;2.76,-.45,;3.53,-1.78,;2.76,-3.12,;1.22,-3.12,;5.07,-1.78,;5.97,-.54,;7.44,-1.01,;7.44,-2.55,;5.97,-3.03,;8.53,-3.64,;8.13,-5.13,;9.22,-6.22,;10.7,-5.82,;11.1,-4.33,;10.01,-3.24,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.287	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-1/tankyrase-2 (Homo sapiens (Human))	BDBM50511539 (CHEMBL4457037) Show SMILES CN(C)CCOc1cc2N(C)C(=O)C3(CCN(CC3)c3nc4N(C)CCCc4c(=O)[nH]3)c2c(F)c1 Show InChI InChI=1S/C25H33FN6O3/c1-29(2)12-13-35-16-14-18(26)20-19(15-16)31(4)23(34)25(20)7-10-32(11-8-25)24-27-21-17(22(33)28-24)6-5-9-30(21)3/h14-15H,5-13H2,1-4H3,(H,27,28,33)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	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
Japanese Foundation for Cancer Research Curated by ChEMBL					Assay Description Inhibition of TNKS/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferase re...				J Med Chem 63: 4183-4204 (2020) Article DOI: 10.1021/acs.jmedchem.0c00045 BindingDB Entry DOI: 10.7270/Q2XD150K
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2 (Homo sapiens (Human))	BDBM50511548 (CHEMBL4449082) Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1cc2N(C)C(=O)C3(CCN(CC3)c3nc4N(C)CCCc4c(=O)[nH]3)c2c(F)c1 |r| Show InChI InChI=1S/C27H35FN6O3/c1-16-14-34(15-17(2)37-16)18-12-20(28)22-21(13-18)32(4)25(36)27(22)7-10-33(11-8-27)26-29-23-19(24(35)30-26)6-5-9-31(23)3/h12-13,16-17H,5-11,14-15H2,1-4H3,(H,29,30,35)/t16-,17+	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Japanese Foundation for Cancer Research Curated by ChEMBL					Assay Description Inhibition of TNKS/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferase re...				J Med Chem 63: 4183-4204 (2020) Article DOI: 10.1021/acs.jmedchem.0c00045 BindingDB Entry DOI: 10.7270/Q2XD150K
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2 (Homo sapiens (Human))	BDBM50511545 (CHEMBL4581567) Show SMILES CN1CCCc2c1nc([nH]c2=O)N1CCC2(CC1)C(=O)N(CC1COC1)c1cc(F)cc(F)c21 Show InChI InChI=1S/C24H27F2N5O3/c1-29-6-2-3-16-20(29)27-23(28-21(16)32)30-7-4-24(5-8-30)19-17(26)9-15(25)10-18(19)31(22(24)33)11-14-12-34-13-14/h9-10,14H,2-8,11-13H2,1H3,(H,27,28,32)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	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
Japanese Foundation for Cancer Research Curated by ChEMBL					Assay Description Inhibition of TNKS/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferase re...				J Med Chem 63: 4183-4204 (2020) Article DOI: 10.1021/acs.jmedchem.0c00045 BindingDB Entry DOI: 10.7270/Q2XD150K
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1/tankyrase-2 (Homo sapiens (Human))	BDBM50511538 (CHEMBL4466701) Show SMILES COCCN1C(=O)C2(CCN(CC2)c2nc3N(C)CCCc3c(=O)[nH]2)c2c1cc(F)cc2F Show InChI InChI=1S/C23H27F2N5O3/c1-28-7-3-4-15-19(28)26-22(27-20(15)31)29-8-5-23(6-9-29)18-16(25)12-14(24)13-17(18)30(21(23)32)10-11-33-2/h12-13H,3-11H2,1-2H3,(H,26,27,31)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	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
Japanese Foundation for Cancer Research Curated by ChEMBL					Assay Description Inhibition of TNKS/TNKS2 (unknown origin) expressed in HEK293 cells assessed as reduction in Wnt-signaling measured after 24 hrs by TCF-luciferase re...				J Med Chem 63: 4183-4204 (2020) Article DOI: 10.1021/acs.jmedchem.0c00045 BindingDB Entry DOI: 10.7270/Q2XD150K
					More data for this Ligand-Target Pair

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