Compile Data Set for Download or QSAR

Found 193 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 8041   

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 [1091-1325] (Homo sapiens (Human))	BDBM231074 (US9340549, 98) Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)c1cnc2[nH]c(=O)n(-c3ncccn3)c2c1 |r,wU:7.8,17.22,wD:14.15,(-7.97,.64,;-6.64,1.41,;-7.41,.08,;-6.64,2.95,;-5.17,3.43,;-4.4,4.76,;-4.27,2.18,;-5.17,.93,;-4.78,-.55,;-5.86,-1.64,;-5.47,-3.13,;-3.98,-3.53,;-2.89,-2.44,;-3.29,-.95,;-2.73,2.18,;-1.96,.85,;-.42,.85,;.35,2.18,;-.42,3.51,;-1.96,3.51,;1.89,2.18,;2.66,3.51,;4.2,3.51,;4.97,2.18,;6.48,1.86,;6.64,.33,;7.97,-.44,;5.23,-.3,;4.83,-1.79,;3.35,-2.18,;2.95,-3.67,;4.04,-4.76,;5.52,-4.36,;5.92,-2.87,;4.2,.85,;2.66,.85,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.316	n/a	n/a	n/a	n/a	n/a	25
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 US9340549 (2016) BindingDB Entry DOI: 10.7270/Q2SN07VD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325] (Homo sapiens (Human))	BDBM231158 (US9340549, 178) Show SMILES C[C@H]1OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2ccc(cc2[nH]c1=O)C#N |r,wU:1.0,6.7,16.21,wD:13.14,(-7.62,.02,;-6.28,.79,;-6.28,2.33,;-4.82,2.81,;-4.05,4.14,;-3.91,1.56,;-4.82,.32,;-4.42,-1.17,;-5.51,-2.26,;-5.11,-3.75,;-3.62,-4.14,;-2.53,-3.05,;-2.93,-1.57,;-2.37,1.56,;-1.6,.23,;-.06,.23,;.71,1.56,;-.06,2.9,;-1.6,2.9,;2.25,1.56,;3.15,.32,;2.83,-1.19,;3.98,-2.22,;5.44,-1.74,;5.76,-.24,;4.62,.79,;4.62,2.33,;3.15,2.81,;2.38,4.14,;6.58,-2.77,;7.73,-3.8,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.375	n/a	n/a	n/a	n/a	n/a	25
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 US9340549 (2016) BindingDB Entry DOI: 10.7270/Q2SN07VD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325] (Homo sapiens (Human))	BDBM231152 (US9340549, 174) Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@H](CC1)c1cnc2ccn(-c3ncccn3)c2c1 |r,wU:7.8,wD:14.15,17.22,(-6.93,-3.44,;-6.16,-2.11,;-5.39,-3.44,;-7.06,-.86,;-6.16,.38,;-6.93,1.72,;-4.69,-.09,;-4.69,-1.63,;-3.6,-2.72,;-4,-4.21,;-2.91,-5.3,;-1.42,-4.9,;-1.03,-3.41,;-2.11,-2.32,;-3.36,.68,;-2.02,-.09,;-.69,.68,;-.69,2.22,;-2.02,2.99,;-3.36,2.22,;.64,2.99,;.64,4.53,;1.98,5.3,;3.31,4.53,;4.78,5,;5.68,3.76,;4.78,2.51,;5.17,1.02,;4.09,-.06,;4.48,-1.55,;5.97,-1.95,;7.06,-.86,;6.66,.63,;3.31,2.99,;1.98,2.22,)| Show InChI InChI=1S/C28H29N5O2/c1-28(2)25(20-7-4-3-5-8-20)33(27(34)35-28)22-11-9-19(10-12-22)21-17-24-23(31-18-21)13-16-32(24)26-29-14-6-15-30-26/h3-8,13-19,22,25H,9-12H2,1-2H3/t19-,22+,25-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.01	n/a	n/a	n/a	n/a	n/a	25
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 US9340549 (2016) BindingDB Entry DOI: 10.7270/Q2SN07VD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325] (Homo sapiens (Human))	BDBM50434155 (CHEMBL2381946 | US9340549, 60) Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2ccc(C#N)c(F)c2[nH]c1=O |r,wU:17.22,7.8,wD:14.15,(35.11,-25.03,;35.89,-23.7,;34.35,-23.69,;35.89,-22.16,;37.36,-21.69,;37.84,-20.22,;38.27,-22.93,;37.36,-24.18,;38.19,-25.47,;37.48,-26.84,;38.31,-28.14,;39.85,-28.07,;40.55,-26.69,;39.72,-25.4,;39.81,-22.93,;40.58,-24.27,;42.12,-24.27,;42.89,-22.94,;42.11,-21.6,;40.57,-21.6,;44.43,-22.93,;45.33,-24.17,;45.01,-25.67,;46.16,-26.7,;47.63,-26.22,;48.78,-27.24,;49.93,-28.27,;47.94,-24.72,;49.4,-24.24,;46.8,-23.7,;46.8,-22.16,;45.33,-21.68,;44.85,-20.22,)| Show InChI InChI=1S/C25H25FN4O3/c1-25(2)22(15-6-4-3-5-7-15)30(24(32)33-25)18-11-9-17(10-12-18)29-19-13-8-16(14-27)20(26)21(19)28-23(29)31/h3-8,13,17-18,22H,9-12H2,1-2H3,(H,28,31)/t17-,18-,22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.09	n/a	n/a	n/a	n/a	n/a	25
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 US9340549 (2016) BindingDB Entry DOI: 10.7270/Q2SN07VD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325] (Homo sapiens (Human))	BDBM231030 (US9340549, 47) Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2ccc(cc2[nH]c1=O)C#N |r,wU:7.8,14.15,wD:17.22,(-7.62,.02,;-6.28,.79,;-7.05,-.54,;-6.28,2.33,;-4.82,2.81,;-4.05,4.14,;-3.91,1.56,;-4.82,.32,;-4.42,-1.17,;-5.51,-2.26,;-5.11,-3.75,;-3.62,-4.14,;-2.53,-3.05,;-2.93,-1.57,;-2.37,1.56,;-1.6,2.9,;-.06,2.9,;.71,1.56,;-.06,.23,;-1.6,.23,;2.25,1.56,;3.15,.32,;2.83,-1.19,;3.98,-2.22,;5.44,-1.74,;5.76,-.24,;4.62,.79,;4.62,2.33,;3.15,2.81,;2.38,4.14,;6.58,-2.77,;7.73,-3.8,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.12	n/a	n/a	n/a	n/a	n/a	25
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 US9340549 (2016) BindingDB Entry DOI: 10.7270/Q2SN07VD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325] (Homo sapiens (Human))	BDBM50444583 (CHEMBL3099716 | US9340549, 74) Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)c1cnc(N)c(c1)-c1ncccn1 |r,wU:17.22,7.8,wD:14.15,(49.17,-3.5,;50.51,-4.26,;49.19,-5.04,;51.4,-3,;52.87,-3.46,;54.11,-2.55,;52.89,-5,;51.43,-5.5,;50.7,-6.85,;49.16,-6.89,;48.43,-8.25,;49.24,-9.56,;50.79,-9.51,;51.51,-8.15,;54.14,-5.9,;54.14,-7.45,;55.47,-8.22,;56.81,-7.45,;56.8,-5.9,;55.47,-5.13,;58.14,-8.21,;59.46,-7.44,;60.8,-8.2,;60.8,-9.75,;62.14,-10.52,;59.47,-10.52,;58.14,-9.76,;59.47,-12.05,;58.14,-12.83,;58.14,-14.36,;59.47,-15.13,;60.81,-14.35,;60.8,-12.82,)| Show InChI InChI=1S/C26H29N5O2/c1-26(2)22(18-7-4-3-5-8-18)31(25(32)33-26)20-11-9-17(10-12-20)19-15-21(23(27)30-16-19)24-28-13-6-14-29-24/h3-8,13-17,20,22H,9-12H2,1-2H3,(H2,27,30)/t17-,20-,22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	1.47	n/a	n/a	n/a	n/a	n/a	25
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 US9340549 (2016) BindingDB Entry DOI: 10.7270/Q2SN07VD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325] (Homo sapiens (Human))	BDBM231039 (US9340549, 56) Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2ncc(Br)cc2[nH]c1=O |r,wU:7.8,17.22,wD:14.15,(-7.07,.02,;-5.74,.79,;-6.51,-.54,;-5.74,2.33,;-4.28,2.81,;-3.51,4.14,;-3.37,1.56,;-4.28,.32,;-3.88,-1.17,;-4.97,-2.26,;-4.57,-3.75,;-3.08,-4.14,;-1.99,-3.05,;-2.39,-1.57,;-1.83,1.56,;-1.06,.23,;.48,.23,;1.25,1.56,;.48,2.9,;-1.06,2.9,;2.79,1.56,;3.7,.32,;3.38,-1.19,;4.52,-2.22,;5.98,-1.74,;7.07,-2.83,;6.3,-.24,;5.16,.79,;5.16,2.33,;3.7,2.81,;2.93,4.14,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.48	n/a	n/a	n/a	n/a	n/a	25
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 US9340549 (2016) BindingDB Entry DOI: 10.7270/Q2SN07VD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325] (Homo sapiens (Human))	BDBM231038 (US9340549, 55) Show SMILES CC1(C)OC(=O)N([C@H]1c1ccc(F)cc1)[C@H]1CC[C@@H](CC1)n1c2ccncc2[nH]c1=O |r,wU:7.8,18.23,wD:15.16,(-6.69,.77,;-5.36,1.54,;-6.13,.2,;-5.36,3.08,;-3.89,3.55,;-3.12,4.89,;-2.99,2.31,;-3.89,1.06,;-3.49,-.43,;-4.58,-1.51,;-4.18,-3,;-2.69,-3.4,;-2.3,-4.89,;-1.61,-2.31,;-2,-.82,;-1.45,2.31,;-.68,.97,;.86,.97,;1.63,2.31,;.86,3.64,;-.68,3.64,;3.17,2.31,;4.08,1.06,;3.76,-.44,;4.9,-1.47,;6.37,-1,;6.69,.51,;5.54,1.54,;5.54,3.08,;4.08,3.55,;3.31,4.89,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.95	n/a	n/a	n/a	n/a	n/a	25
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 US9340549 (2016) BindingDB Entry DOI: 10.7270/Q2SN07VD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325] (Homo sapiens (Human))	BDBM231070 (US9340549, 93) Show SMILES C[C@]1(CN([C@H]2CC[C@H](CC2)n2c3ccc(cc3[nH]c2=O)C#N)C(=O)O1)c1ccccc1 |r,wU:4.3,7.10,wD:1.0,(-4.54,5.69,;-3.2,4.92,;-2.3,3.67,;-.83,4.15,;.5,3.38,;1.83,4.15,;3.17,3.38,;3.17,1.84,;1.83,1.07,;.5,1.84,;4.5,1.07,;4.5,-.47,;3.36,-1.5,;3.68,-3.01,;5.14,-3.48,;6.28,-2.45,;5.96,-.95,;6.87,.3,;5.96,1.54,;6.73,2.88,;5.54,-4.97,;5.94,-6.46,;-.83,5.69,;.5,6.46,;-2.3,6.16,;-4.29,3.83,;-5.78,4.23,;-6.87,3.14,;-6.47,1.65,;-4.98,1.25,;-3.89,2.34,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	25
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 US9340549 (2016) BindingDB Entry DOI: 10.7270/Q2SN07VD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325] (Homo sapiens (Human))	BDBM231005 (US9340549, 23) Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2ccncc2[nH]c1=O |r,wU:7.8,14.15,wD:17.22,(-6.69,.02,;-5.36,.79,;-6.13,-.54,;-5.36,2.33,;-3.89,2.81,;-3.12,4.14,;-2.99,1.56,;-3.89,.32,;-3.49,-1.17,;-4.58,-2.26,;-4.18,-3.75,;-2.69,-4.14,;-1.61,-3.05,;-2,-1.57,;-1.45,1.56,;-.68,2.9,;.86,2.9,;1.63,1.56,;.86,.23,;-.68,.23,;3.17,1.56,;4.08,.32,;3.76,-1.19,;4.9,-2.22,;6.37,-1.74,;6.69,-.24,;5.54,.79,;5.54,2.33,;4.08,2.81,;3.31,4.14,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.04	n/a	n/a	n/a	n/a	n/a	25
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 US9340549 (2016) BindingDB Entry DOI: 10.7270/Q2SN07VD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325] (Homo sapiens (Human))	BDBM231042 (US9340549, 61) Show SMILES CC1(C)OC(=O)N([C@H]1c1ccc(F)cc1)[C@H]1CC[C@@H](CC1)n1c2ccc(cc2[nH]c1=O)C#N |r,wU:7.8,18.23,wD:15.16,(-7.62,.77,;-6.28,1.54,;-7.05,.2,;-6.28,3.08,;-4.82,3.55,;-4.05,4.89,;-3.91,2.31,;-4.82,1.06,;-4.42,-.43,;-5.51,-1.51,;-5.11,-3,;-3.62,-3.4,;-3.23,-4.89,;-2.53,-2.31,;-2.93,-.82,;-2.37,2.31,;-1.6,.97,;-.06,.97,;.71,2.31,;-.06,3.64,;-1.6,3.64,;2.25,2.31,;3.15,1.06,;2.83,-.44,;3.98,-1.47,;5.44,-1,;5.76,.51,;4.62,1.54,;4.62,3.08,;3.15,3.55,;2.38,4.89,;6.58,-2.03,;7.73,-3.06,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.42	n/a	n/a	n/a	n/a	n/a	25
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 US9340549 (2016) BindingDB Entry DOI: 10.7270/Q2SN07VD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325] (Homo sapiens (Human))	BDBM50434156 (CHEMBL2381945 | US9340549, 103) Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2cc(F)c(cc2[nH]c1=O)C#N |r,wU:17.22,7.8,wD:14.15,(18.3,-25.15,;19.08,-23.82,;17.54,-23.81,;19.09,-22.28,;20.55,-21.8,;21.03,-20.34,;21.46,-23.05,;20.55,-24.3,;21.38,-25.59,;20.67,-26.95,;21.5,-28.25,;23.04,-28.18,;23.75,-26.81,;22.91,-25.51,;23,-23.05,;23.77,-24.39,;25.31,-24.39,;26.08,-23.05,;25.3,-21.71,;23.76,-21.72,;27.62,-23.05,;28.53,-24.29,;28.21,-25.79,;29.35,-26.82,;29.03,-28.33,;30.82,-26.34,;31.13,-24.84,;29.99,-23.81,;29.99,-22.27,;28.52,-21.8,;28.04,-20.33,;31.97,-27.36,;33.12,-28.39,)| Show InChI InChI=1S/C25H25FN4O3/c1-25(2)22(15-6-4-3-5-7-15)30(24(32)33-25)18-10-8-17(9-11-18)29-21-13-19(26)16(14-27)12-20(21)28-23(29)31/h3-7,12-13,17-18,22H,8-11H2,1-2H3,(H,28,31)/t17-,18-,22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.48	n/a	n/a	n/a	n/a	n/a	25
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 US9340549 (2016) BindingDB Entry DOI: 10.7270/Q2SN07VD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325] (Homo sapiens (Human))	BDBM231034 (US9340549, 51) Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2cccc(C#N)c2[nH]c1=O |r,wU:7.8,14.15,wD:17.22,(-8.18,.02,;-6.84,.79,;-7.61,-.54,;-6.84,2.33,;-5.38,2.81,;-4.61,4.14,;-4.47,1.56,;-5.38,.32,;-4.98,-1.17,;-6.07,-2.26,;-5.67,-3.75,;-4.18,-4.14,;-3.09,-3.05,;-3.49,-1.57,;-2.93,1.56,;-2.16,2.9,;-.62,2.9,;.15,1.56,;-.62,.23,;-2.16,.23,;1.69,1.56,;2.59,.32,;2.27,-1.19,;3.42,-2.22,;4.88,-1.74,;5.2,-.24,;6.67,.24,;8.13,.72,;4.06,.79,;4.06,2.33,;2.59,2.81,;1.82,4.14,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.56	n/a	n/a	n/a	n/a	n/a	25
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 US9340549 (2016) BindingDB Entry DOI: 10.7270/Q2SN07VD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325] (Homo sapiens (Human))	BDBM50434158 (CHEMBL2381936 | US9340549, 59) Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1ccnc2cc(F)cnc12 |r,wU:17.22,7.8,wD:14.15,(19.91,-58.3,;20.69,-56.97,;19.15,-56.96,;20.69,-55.43,;22.16,-54.95,;22.64,-53.49,;23.07,-56.2,;22.16,-57.45,;22.99,-58.73,;22.28,-60.1,;23.11,-61.4,;24.65,-61.33,;25.35,-59.95,;24.52,-58.66,;24.61,-56.2,;25.38,-57.54,;26.91,-57.54,;27.69,-56.2,;26.91,-54.86,;25.37,-54.87,;29.23,-56.2,;30,-57.53,;29.23,-58.87,;31.54,-57.53,;32.3,-56.2,;33.84,-56.19,;34.62,-57.53,;33.85,-58.86,;34.62,-60.19,;33.86,-61.52,;34.63,-62.85,;32.31,-61.52,;31.54,-60.19,;32.31,-58.86,)| Show InChI InChI=1S/C26H27FN4O3/c1-26(2)23(16-6-4-3-5-7-16)31(25(33)34-26)19-10-8-18(9-11-19)30-24(32)20-12-13-28-21-14-17(27)15-29-22(20)21/h3-7,12-15,18-19,23H,8-11H2,1-2H3,(H,30,32)/t18-,19-,23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	3.86	n/a	n/a	n/a	n/a	n/a	25
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 US9340549 (2016) BindingDB Entry DOI: 10.7270/Q2SN07VD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325] (Homo sapiens (Human))	BDBM231163 (US9340549, 183) Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1csc(n1)-c1ncccn1 |r,wU:7.8,14.15,wD:17.22,(-9.1,-.02,;-7.77,.75,;-8.54,-.58,;-7.77,2.29,;-6.31,2.77,;-5.54,4.1,;-5.4,1.52,;-6.31,.27,;-5.91,-1.21,;-7,-2.3,;-6.6,-3.79,;-5.11,-4.19,;-4.02,-3.1,;-4.42,-1.61,;-3.86,1.52,;-3.09,2.85,;-1.55,2.85,;-.78,1.52,;-1.55,.19,;-3.09,.19,;.76,1.52,;1.53,2.85,;.76,4.19,;3.07,2.85,;3.97,4.1,;5.44,3.62,;5.44,2.08,;3.97,1.61,;6.53,1,;6.13,-.49,;7.22,-1.58,;8.71,-1.18,;9.1,.31,;8.02,1.39,)| Show InChI InChI=1S/C25H27N5O3S/c1-25(2)20(16-7-4-3-5-8-16)30(24(32)33-25)18-11-9-17(10-12-18)28-22(31)19-15-34-23(29-19)21-26-13-6-14-27-21/h3-8,13-15,17-18,20H,9-12H2,1-2H3,(H,28,31)/t17-,18-,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.94	n/a	n/a	n/a	n/a	n/a	25
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 US9340549 (2016) BindingDB Entry DOI: 10.7270/Q2SN07VD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325] (Homo sapiens (Human))	BDBM231060 (US9340549, 83) Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2cnccc2[nH]c1=O |r,wU:7.8,17.22,wD:14.15,(-6.69,.02,;-5.36,.79,;-6.13,-.54,;-5.36,2.33,;-3.89,2.81,;-3.12,4.14,;-2.99,1.56,;-3.89,.32,;-3.49,-1.17,;-4.58,-2.26,;-4.18,-3.75,;-2.69,-4.14,;-1.61,-3.05,;-2,-1.57,;-1.45,1.56,;-.68,.23,;.86,.23,;1.63,1.56,;.86,2.9,;-.68,2.9,;3.17,1.56,;4.08,.32,;3.76,-1.19,;4.9,-2.22,;6.37,-1.74,;6.69,-.24,;5.54,.79,;5.54,2.33,;4.08,2.81,;3.31,4.14,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.07	n/a	n/a	n/a	n/a	n/a	25
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 US9340549 (2016) BindingDB Entry DOI: 10.7270/Q2SN07VD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325] (Homo sapiens (Human))	BDBM231007 (US9340549, 25) Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1ccnc2cccnc12 |r,wU:7.8,17.22,wD:14.15,(-7.16,4.23,;-5.83,3.47,;-7.16,2.69,;-4.92,4.71,;-3.46,4.23,;-2.13,5,;-3.46,2.69,;-4.92,2.22,;-5.32,.73,;-6.81,.33,;-7.21,-1.15,;-6.12,-2.24,;-4.63,-1.84,;-4.23,-.36,;-2.13,1.93,;-2.13,.38,;-.79,-.38,;.54,.38,;.54,1.93,;-.79,2.69,;1.87,-.38,;3.21,.38,;3.21,1.93,;4.54,-.38,;5.88,.38,;7.21,-.38,;7.21,-1.93,;5.88,-2.69,;5.88,-4.23,;4.54,-5,;3.21,-4.23,;3.21,-2.69,;4.54,-1.93,)| Show InChI InChI=1S/C26H28N4O3/c1-26(2)23(17-7-4-3-5-8-17)30(25(32)33-26)19-12-10-18(11-13-19)29-24(31)20-14-16-27-21-9-6-15-28-22(20)21/h3-9,14-16,18-19,23H,10-13H2,1-2H3,(H,29,31)/t18-,19-,23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.56	n/a	n/a	n/a	n/a	n/a	25
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 US9340549 (2016) BindingDB Entry DOI: 10.7270/Q2SN07VD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 [946-1162] (Homo sapiens (Human))	BDBM231008 (US9340549, 26 | US9340549, 27) Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1cccc2cccnc12 |r,wU:7.8,17.22,wD:14.15,(-7.16,4.23,;-5.83,3.47,;-7.16,2.69,;-4.92,4.71,;-3.46,4.23,;-2.13,5,;-3.46,2.69,;-4.92,2.22,;-5.32,.73,;-6.81,.33,;-7.21,-1.15,;-6.12,-2.24,;-4.63,-1.84,;-4.23,-.36,;-2.13,1.93,;-2.13,.38,;-.79,-.38,;.54,.38,;.54,1.93,;-.79,2.69,;1.87,-.38,;3.21,.38,;3.21,1.93,;4.54,-.38,;5.88,.38,;7.21,-.38,;7.21,-1.93,;5.88,-2.69,;5.88,-4.23,;4.54,-5,;3.21,-4.23,;3.21,-2.69,;4.54,-1.93,)| Show InChI InChI=1S/C27H29N3O3/c1-27(2)24(19-8-4-3-5-9-19)30(26(32)33-27)21-15-13-20(14-16-21)29-25(31)22-12-6-10-18-11-7-17-28-23(18)22/h3-12,17,20-21,24H,13-16H2,1-2H3,(H,29,31)/t20-,21-,24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.78	n/a	n/a	n/a	n/a	n/a	25
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 US9340549 (2016) BindingDB Entry DOI: 10.7270/Q2SN07VD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325] (Homo sapiens (Human))	BDBM231069 (US9340549, 92) Show SMILES CC1(CN([C@H]2CC[C@H](CC2)n2c3ccc(cc3[nH]c2=O)C#N)C(=O)O1)c1ccccc1 |r,wU:4.3,7.10,(-4.54,5.69,;-3.2,4.92,;-2.3,3.67,;-.83,4.15,;.5,3.38,;1.83,4.15,;3.17,3.38,;3.17,1.84,;1.83,1.07,;.5,1.84,;4.5,1.07,;4.5,-.47,;3.36,-1.5,;3.68,-3.01,;5.14,-3.48,;6.28,-2.45,;5.96,-.95,;6.87,.3,;5.96,1.54,;6.73,2.88,;5.54,-4.97,;5.94,-6.46,;-.83,5.69,;.5,6.46,;-2.3,6.16,;-4.29,3.83,;-5.78,4.23,;-6.87,3.14,;-6.47,1.65,;-4.98,1.25,;-3.89,2.34,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	25
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 US9340549 (2016) BindingDB Entry DOI: 10.7270/Q2SN07VD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 [946-1162] (Homo sapiens (Human))	BDBM231012 (US9340549, 29) Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2ccc(Cl)cc2[nH]c1=O |r,wU:7.8,14.15,wD:17.22,(-7.07,.02,;-5.74,.79,;-6.51,-.54,;-5.74,2.33,;-4.28,2.81,;-3.51,4.14,;-3.37,1.56,;-4.28,.32,;-3.88,-1.17,;-4.97,-2.26,;-4.57,-3.75,;-3.08,-4.14,;-1.99,-3.05,;-2.39,-1.57,;-1.83,1.56,;-1.06,2.9,;.48,2.9,;1.25,1.56,;.48,.23,;-1.06,.23,;2.79,1.56,;3.7,.32,;3.38,-1.19,;4.52,-2.22,;5.98,-1.74,;7.07,-2.83,;6.3,-.24,;5.16,.79,;5.16,2.33,;3.7,2.81,;2.93,4.14,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.98	n/a	n/a	n/a	n/a	n/a	25
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 US9340549 (2016) BindingDB Entry DOI: 10.7270/Q2SN07VD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325] (Homo sapiens (Human))	BDBM231033 (US9340549, 50) Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2ncncc2[nH]c1=O |r,wU:7.8,14.15,wD:17.22,(-6.69,.02,;-5.36,.79,;-6.13,-.54,;-5.36,2.33,;-3.89,2.81,;-3.12,4.14,;-2.99,1.56,;-3.89,.32,;-3.49,-1.17,;-4.58,-2.26,;-4.18,-3.75,;-2.69,-4.14,;-1.61,-3.05,;-2,-1.57,;-1.45,1.56,;-.68,2.9,;.86,2.9,;1.63,1.56,;.86,.23,;-.68,.23,;3.17,1.56,;4.08,.32,;3.76,-1.19,;4.9,-2.22,;6.37,-1.74,;6.69,-.24,;5.54,.79,;5.54,2.33,;4.08,2.81,;3.31,4.14,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.11	n/a	n/a	n/a	n/a	n/a	25
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 US9340549 (2016) BindingDB Entry DOI: 10.7270/Q2SN07VD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325] (Homo sapiens (Human))	BDBM231111 (US9340549, 136) Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)C1CC[C@@H](CC1)c1cnc2[nH]ccc2c1 |r,wU:7.8,wD:17.22,(-7.31,.02,;-5.97,.79,;-6.74,-.54,;-5.97,2.33,;-4.51,2.81,;-3.74,4.14,;-3.6,1.56,;-4.51,.32,;-4.11,-1.17,;-5.2,-2.26,;-4.8,-3.75,;-3.31,-4.14,;-2.22,-3.05,;-2.62,-1.57,;-2.06,1.56,;-1.29,2.9,;.25,2.9,;1.02,1.56,;.25,.23,;-1.29,.23,;2.56,1.56,;3.33,2.9,;4.87,2.9,;5.64,1.56,;7.14,1.24,;7.31,-.29,;5.9,-.91,;4.87,.23,;3.33,.23,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.17	n/a	n/a	n/a	n/a	n/a	25
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 US9340549 (2016) BindingDB Entry DOI: 10.7270/Q2SN07VD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325] (Homo sapiens (Human))	BDBM231131 (US9340549, 156) Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1csc(n1)-c1ccccc1 |r,wU:7.8,17.22,wD:14.15,(-9.1,-.02,;-7.77,.75,;-8.54,-.58,;-7.77,2.29,;-6.31,2.77,;-5.54,4.1,;-5.4,1.52,;-6.31,.27,;-5.91,-1.21,;-7,-2.3,;-6.6,-3.79,;-5.11,-4.19,;-4.02,-3.1,;-4.42,-1.61,;-3.86,1.52,;-3.09,.19,;-1.55,.19,;-.78,1.52,;-1.55,2.85,;-3.09,2.85,;.76,1.52,;1.53,2.85,;.76,4.19,;3.07,2.85,;3.97,4.1,;5.44,3.62,;5.44,2.08,;3.97,1.61,;6.53,1,;6.13,-.49,;7.22,-1.58,;8.71,-1.18,;9.1,.31,;8.02,1.39,)| Show InChI InChI=1S/C27H29N3O3S/c1-27(2)23(18-9-5-3-6-10-18)30(26(32)33-27)21-15-13-20(14-16-21)28-24(31)22-17-34-25(29-22)19-11-7-4-8-12-19/h3-12,17,20-21,23H,13-16H2,1-2H3,(H,28,31)/t20-,21-,23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.18	n/a	n/a	n/a	n/a	n/a	25
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 US9340549 (2016) BindingDB Entry DOI: 10.7270/Q2SN07VD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325] (Homo sapiens (Human))	BDBM231012 (US9340549, 29) Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2ccc(Cl)cc2[nH]c1=O |r,wU:7.8,14.15,wD:17.22,(-7.07,.02,;-5.74,.79,;-6.51,-.54,;-5.74,2.33,;-4.28,2.81,;-3.51,4.14,;-3.37,1.56,;-4.28,.32,;-3.88,-1.17,;-4.97,-2.26,;-4.57,-3.75,;-3.08,-4.14,;-1.99,-3.05,;-2.39,-1.57,;-1.83,1.56,;-1.06,2.9,;.48,2.9,;1.25,1.56,;.48,.23,;-1.06,.23,;2.79,1.56,;3.7,.32,;3.38,-1.19,;4.52,-2.22,;5.98,-1.74,;7.07,-2.83,;6.3,-.24,;5.16,.79,;5.16,2.33,;3.7,2.81,;2.93,4.14,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.33	n/a	n/a	n/a	n/a	n/a	25
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 US9340549 (2016) BindingDB Entry DOI: 10.7270/Q2SN07VD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 [946-1162] (Homo sapiens (Human))	BDBM231007 (US9340549, 25) Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1ccnc2cccnc12 |r,wU:7.8,17.22,wD:14.15,(-7.16,4.23,;-5.83,3.47,;-7.16,2.69,;-4.92,4.71,;-3.46,4.23,;-2.13,5,;-3.46,2.69,;-4.92,2.22,;-5.32,.73,;-6.81,.33,;-7.21,-1.15,;-6.12,-2.24,;-4.63,-1.84,;-4.23,-.36,;-2.13,1.93,;-2.13,.38,;-.79,-.38,;.54,.38,;.54,1.93,;-.79,2.69,;1.87,-.38,;3.21,.38,;3.21,1.93,;4.54,-.38,;5.88,.38,;7.21,-.38,;7.21,-1.93,;5.88,-2.69,;5.88,-4.23,;4.54,-5,;3.21,-4.23,;3.21,-2.69,;4.54,-1.93,)| Show InChI InChI=1S/C26H28N4O3/c1-26(2)23(17-7-4-3-5-8-17)30(25(32)33-26)19-12-10-18(11-13-19)29-24(31)20-14-16-27-21-9-6-15-28-22(20)21/h3-9,14-16,18-19,23H,10-13H2,1-2H3,(H,29,31)/t18-,19-,23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.46	n/a	n/a	n/a	n/a	n/a	25
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 US9340549 (2016) BindingDB Entry DOI: 10.7270/Q2SN07VD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325] (Homo sapiens (Human))	BDBM231036 (US9340549, 53) Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2cc(Cl)ncc2[nH]c1=O |r,wU:7.8,17.22,wD:14.15,(-6.69,.02,;-5.36,.79,;-6.13,-.54,;-5.36,2.33,;-3.89,2.81,;-3.12,4.14,;-2.99,1.56,;-3.89,.32,;-3.49,-1.17,;-4.58,-2.26,;-4.18,-3.75,;-2.69,-4.14,;-1.61,-3.05,;-2,-1.57,;-1.45,1.56,;-.68,.23,;.86,.23,;1.63,1.56,;.86,2.9,;-.68,2.9,;3.17,1.56,;4.08,.32,;3.76,-1.19,;4.9,-2.22,;4.51,-3.71,;6.37,-1.74,;6.69,-.24,;5.54,.79,;5.54,2.33,;4.08,2.81,;3.31,4.14,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.52	n/a	n/a	n/a	n/a	n/a	25
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 US9340549 (2016) BindingDB Entry DOI: 10.7270/Q2SN07VD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325] (Homo sapiens (Human))	BDBM231164 (US9340549, 87) Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)C1CCc(cC1)-c1cc2ccncc2[nH]c1=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.91	n/a	n/a	n/a	n/a	n/a	25
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 US9340549 (2016) BindingDB Entry DOI: 10.7270/Q2SN07VD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325] (Homo sapiens (Human))	BDBM50444584 (CHEMBL3099718 | US9340549, 95) Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)c1cnc(N)c(c1)C#N |r,wU:17.22,7.8,wD:14.15,(26.78,-18.45,;28.12,-19.21,;26.8,-19.99,;29.01,-17.95,;30.48,-18.41,;31.72,-17.5,;30.5,-19.95,;29.04,-20.44,;28.31,-21.8,;26.77,-21.84,;26.04,-23.2,;26.85,-24.51,;28.4,-24.45,;29.12,-23.1,;31.75,-20.85,;31.74,-22.4,;33.08,-23.17,;34.42,-22.4,;34.41,-20.85,;33.08,-20.08,;35.74,-23.16,;37.07,-22.39,;38.4,-23.15,;38.41,-24.7,;39.75,-25.47,;37.08,-25.47,;35.74,-24.7,;37.09,-27.01,;37.09,-28.55,)| Show InChI InChI=1S/C23H26N4O2/c1-23(2)20(16-6-4-3-5-7-16)27(22(28)29-23)19-10-8-15(9-11-19)18-12-17(13-24)21(25)26-14-18/h3-7,12,14-15,19-20H,8-11H2,1-2H3,(H2,25,26)/t15-,19-,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.98	n/a	n/a	n/a	n/a	n/a	25
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 US9340549 (2016) BindingDB Entry DOI: 10.7270/Q2SN07VD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325] (Homo sapiens (Human))	BDBM231037 (US9340549, 54) Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2cc(ncc2[nH]c1=O)C#N |r,wU:7.8,17.22,wD:14.15,(-6.69,.55,;-5.36,1.32,;-6.13,-.01,;-5.36,2.86,;-3.89,3.33,;-3.12,4.67,;-2.99,2.09,;-3.89,.84,;-3.49,-.64,;-4.58,-1.73,;-4.18,-3.22,;-2.69,-3.62,;-1.61,-2.53,;-2,-1.04,;-1.45,2.09,;-.68,.76,;.86,.76,;1.63,2.09,;.86,3.42,;-.68,3.42,;3.17,2.09,;4.08,.84,;3.76,-.66,;4.9,-1.69,;6.37,-1.22,;6.69,.29,;5.54,1.32,;5.54,2.86,;4.08,3.33,;3.31,4.67,;4.58,-3.2,;4.26,-4.71,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.42	n/a	n/a	n/a	n/a	n/a	25
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 US9340549 (2016) BindingDB Entry DOI: 10.7270/Q2SN07VD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325] (Homo sapiens (Human))	BDBM231041 (US9340549, 58) Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)n1ccc2cccnc12 |r,wU:7.8,17.22,wD:14.15,(-7.38,-.02,;-6.04,.75,;-6.81,-.58,;-6.04,2.29,;-4.58,2.77,;-3.81,4.1,;-3.67,1.52,;-4.58,.27,;-4.18,-1.21,;-5.27,-2.3,;-4.87,-3.79,;-3.38,-4.19,;-2.29,-3.1,;-2.69,-1.61,;-2.13,1.52,;-1.36,.19,;.18,.19,;.95,1.52,;.18,2.85,;-1.36,2.85,;2.49,1.52,;3.26,2.85,;2.49,4.19,;4.59,2.08,;5.84,2.99,;7.08,2.08,;6.61,.62,;7.38,-.71,;6.61,-2.05,;5.07,-2.05,;4.3,-.71,;5.07,.62,)| Show InChI InChI=1S/C25H28N4O3/c1-25(2)21(17-7-4-3-5-8-17)29(24(31)32-25)20-12-10-19(11-13-20)27-23(30)28-16-14-18-9-6-15-26-22(18)28/h3-9,14-16,19-21H,10-13H2,1-2H3,(H,27,30)/t19-,20-,21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.46	n/a	n/a	n/a	n/a	n/a	25
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 US9340549 (2016) BindingDB Entry DOI: 10.7270/Q2SN07VD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325] (Homo sapiens (Human))	BDBM231043 (US9340549, 62) Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)N1Cc2cc(ccc2NC1=O)C#N |r,wU:7.8,17.22,wD:14.15,(-8.01,-.02,;-6.68,.75,;-7.45,-.58,;-6.68,2.29,;-5.21,2.77,;-4.44,4.1,;-4.31,1.52,;-5.21,.27,;-4.81,-1.21,;-5.9,-2.3,;-5.51,-3.79,;-4.02,-4.19,;-2.93,-3.1,;-3.33,-1.61,;-2.77,1.52,;-2,.19,;-.46,.19,;.31,1.52,;-.46,2.85,;-2,2.85,;1.85,1.52,;2.62,.19,;4.16,.19,;4.93,-1.15,;6.47,-1.15,;7.24,.19,;6.47,1.52,;4.93,1.52,;4.16,2.85,;2.62,2.85,;1.85,4.19,;7.24,-2.48,;8.01,-3.81,)| Show InChI InChI=1S/C26H28N4O3/c1-26(2)23(18-6-4-3-5-7-18)30(25(32)33-26)21-11-9-20(10-12-21)29-16-19-14-17(15-27)8-13-22(19)28-24(29)31/h3-8,13-14,20-21,23H,9-12,16H2,1-2H3,(H,28,31)/t20-,21-,23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.63	n/a	n/a	n/a	n/a	n/a	25
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 US9340549 (2016) BindingDB Entry DOI: 10.7270/Q2SN07VD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325] (Homo sapiens (Human))	BDBM50444583 (CHEMBL3099716 | US9340549, 74) Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)c1cnc(N)c(c1)-c1ncccn1 |r,wU:17.22,7.8,wD:14.15,(49.17,-3.5,;50.51,-4.26,;49.19,-5.04,;51.4,-3,;52.87,-3.46,;54.11,-2.55,;52.89,-5,;51.43,-5.5,;50.7,-6.85,;49.16,-6.89,;48.43,-8.25,;49.24,-9.56,;50.79,-9.51,;51.51,-8.15,;54.14,-5.9,;54.14,-7.45,;55.47,-8.22,;56.81,-7.45,;56.8,-5.9,;55.47,-5.13,;58.14,-8.21,;59.46,-7.44,;60.8,-8.2,;60.8,-9.75,;62.14,-10.52,;59.47,-10.52,;58.14,-9.76,;59.47,-12.05,;58.14,-12.83,;58.14,-14.36,;59.47,-15.13,;60.81,-14.35,;60.8,-12.82,)| Show InChI InChI=1S/C26H29N5O2/c1-26(2)22(18-7-4-3-5-8-18)31(25(32)33-26)20-11-9-17(10-12-20)19-15-21(23(27)30-16-19)24-28-13-6-14-29-24/h3-8,13-17,20,22H,9-12H2,1-2H3,(H2,27,30)/t17-,20-,22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a	25
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 US9340549 (2016) BindingDB Entry DOI: 10.7270/Q2SN07VD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325] (Homo sapiens (Human))	BDBM231068 (US9340549, 91) Show SMILES C[C@@]1(CN([C@H]2CC[C@@H](CC2)n2c3ccncc3[nH]c2=O)C(=O)O1)c1ccccc1 |r,wU:1.0,4.3,wD:7.10,(-4.58,-1.5,;-3.81,-.17,;-2.34,-.64,;-1.44,.6,;.1,.6,;.87,1.94,;2.41,1.94,;3.18,.6,;2.41,-.73,;.87,-.73,;4.72,.6,;5.63,-.64,;5.31,-2.15,;6.45,-3.18,;7.92,-2.71,;8.24,-1.2,;7.09,-.17,;7.09,1.37,;5.63,1.85,;4.86,3.18,;-2.34,1.85,;-1.57,3.18,;-3.81,1.37,;-5.35,-.17,;-6.12,1.17,;-7.66,1.17,;-8.43,-.17,;-7.66,-1.5,;-6.12,-1.5,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.01	n/a	n/a	n/a	n/a	n/a	25
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 US9340549 (2016) BindingDB Entry DOI: 10.7270/Q2SN07VD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325] (Homo sapiens (Human))	BDBM231121 (US9340549, 146) Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1cnn2cccnc12 |r,wU:7.8,14.15,wD:17.22,(-7.84,-.02,;-6.51,.75,;-7.28,-.58,;-6.51,2.29,;-5.05,2.77,;-4.28,4.1,;-4.14,1.52,;-5.05,.27,;-4.65,-1.21,;-5.74,-2.3,;-5.34,-3.79,;-3.85,-4.19,;-2.76,-3.1,;-3.16,-1.61,;-2.6,1.52,;-1.83,2.85,;-.29,2.85,;.48,1.52,;-.29,.19,;-1.83,.19,;2.02,1.52,;2.79,2.85,;2.02,4.19,;4.33,2.85,;5.23,4.1,;6.7,3.62,;6.7,2.08,;7.84,1.05,;7.52,-.45,;6.06,-.93,;4.91,.1,;5.23,1.61,)| Show InChI InChI=1S/C24H27N5O3/c1-24(2)20(16-7-4-3-5-8-16)29(23(31)32-24)18-11-9-17(10-12-18)27-22(30)19-15-26-28-14-6-13-25-21(19)28/h3-8,13-15,17-18,20H,9-12H2,1-2H3,(H,27,30)/t17-,18-,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.18	n/a	n/a	n/a	n/a	n/a	25
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 US9340549 (2016) BindingDB Entry DOI: 10.7270/Q2SN07VD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325] (Homo sapiens (Human))	BDBM231150 (US9340549, 173) Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CCC(=CC1)c1cnc2ccn(-c3ncccn3)c2c1 |r,c:19| Show InChI InChI=1S/C28H27N5O2/c1-28(2)25(20-7-4-3-5-8-20)33(27(34)35-28)22-11-9-19(10-12-22)21-17-24-23(31-18-21)13-16-32(24)26-29-14-6-15-30-26/h3-9,13-18,22,25H,10-12H2,1-2H3/t22-,25+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.26	n/a	n/a	n/a	n/a	n/a	25
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 US9340549 (2016) BindingDB Entry DOI: 10.7270/Q2SN07VD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325] (Homo sapiens (Human))	BDBM231008 (US9340549, 26 | US9340549, 27) Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1cccc2cccnc12 |r,wU:7.8,17.22,wD:14.15,(-7.16,4.23,;-5.83,3.47,;-7.16,2.69,;-4.92,4.71,;-3.46,4.23,;-2.13,5,;-3.46,2.69,;-4.92,2.22,;-5.32,.73,;-6.81,.33,;-7.21,-1.15,;-6.12,-2.24,;-4.63,-1.84,;-4.23,-.36,;-2.13,1.93,;-2.13,.38,;-.79,-.38,;.54,.38,;.54,1.93,;-.79,2.69,;1.87,-.38,;3.21,.38,;3.21,1.93,;4.54,-.38,;5.88,.38,;7.21,-.38,;7.21,-1.93,;5.88,-2.69,;5.88,-4.23,;4.54,-5,;3.21,-4.23,;3.21,-2.69,;4.54,-1.93,)| Show InChI InChI=1S/C27H29N3O3/c1-27(2)24(19-8-4-3-5-9-19)30(26(32)33-27)21-15-13-20(14-16-21)29-25(31)22-12-6-10-18-11-7-17-28-23(18)22/h3-12,17,20-21,24H,13-16H2,1-2H3,(H,29,31)/t20-,21-,24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.3	n/a	n/a	n/a	n/a	n/a	25
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 US9340549 (2016) BindingDB Entry DOI: 10.7270/Q2SN07VD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325] (Homo sapiens (Human))	BDBM231013 (US9340549, 30) Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2cccnc2[nH]c1=O |r,wU:7.8,14.15,wD:17.22,(-6.69,.02,;-5.36,.79,;-6.13,-.54,;-5.36,2.33,;-3.89,2.81,;-3.12,4.14,;-2.99,1.56,;-3.89,.32,;-3.49,-1.17,;-4.58,-2.26,;-4.18,-3.75,;-2.69,-4.14,;-1.61,-3.05,;-2,-1.57,;-1.45,1.56,;-.68,2.9,;.86,2.9,;1.63,1.56,;.86,.23,;-.68,.23,;3.17,1.56,;4.08,.32,;3.76,-1.19,;4.9,-2.22,;6.37,-1.74,;6.69,-.24,;5.54,.79,;5.54,2.33,;4.08,2.81,;3.31,4.14,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.7	n/a	n/a	n/a	n/a	n/a	25
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 US9340549 (2016) BindingDB Entry DOI: 10.7270/Q2SN07VD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 [946-1162] (Homo sapiens (Human))	BDBM231015 (US9340549, 32) Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)C(=O)Nc1cccc2cccnc12 |r,wU:7.8,14.15,wD:17.22,(-7.63,.02,;-6.29,.79,;-7.06,-.54,;-6.29,2.33,;-4.83,2.81,;-4.06,4.14,;-3.92,1.56,;-4.83,.32,;-4.43,-1.17,;-5.52,-2.26,;-5.12,-3.75,;-3.63,-4.14,;-2.54,-3.05,;-2.94,-1.57,;-2.38,1.56,;-1.61,2.9,;-.07,2.9,;.7,1.56,;-.07,.23,;-1.61,.23,;2.24,1.56,;3.01,2.9,;3.01,.23,;4.55,.23,;5.32,1.56,;6.86,1.56,;7.63,.23,;6.86,-1.1,;7.63,-2.44,;6.86,-3.77,;5.32,-3.77,;4.55,-2.44,;5.32,-1.1,)| Show InChI InChI=1S/C27H29N3O3/c1-27(2)24(19-8-4-3-5-9-19)30(26(32)33-27)21-15-13-20(14-16-21)25(31)29-22-12-6-10-18-11-7-17-28-23(18)22/h3-12,17,20-21,24H,13-16H2,1-2H3,(H,29,31)/t20-,21-,24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.9	n/a	n/a	n/a	n/a	n/a	25
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 US9340549 (2016) BindingDB Entry DOI: 10.7270/Q2SN07VD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2 [946-1162] (Homo sapiens (Human))	BDBM230983 (US9340549, 1) Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)C(=O)Nc1ccnc2cccnc12 |r| Show InChI InChI=1S/C26H22N4O3/c1-26(2)23(17-7-4-3-5-8-17)30(25(32)33-26)19-12-10-18(11-13-19)24(31)29-21-14-16-27-20-9-6-15-28-22(20)21/h3-16,23H,1-2H3,(H,27,29,31)/t23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	25
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 US9340549 (2016) BindingDB Entry DOI: 10.7270/Q2SN07VD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325] (Homo sapiens (Human))	BDBM231058 (US9340549, 81) Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)c1cc(c[nH]c1=O)-c1ncccn1 |r,wU:7.8,17.22,wD:14.15,(-7.63,-.02,;-6.29,.75,;-7.06,-.58,;-6.29,2.29,;-4.83,2.77,;-4.06,4.1,;-3.92,1.52,;-4.83,.27,;-4.43,-1.21,;-5.52,-2.3,;-5.12,-3.79,;-3.63,-4.19,;-2.54,-3.1,;-2.94,-1.61,;-2.38,1.52,;-1.61,.19,;-.07,.19,;.7,1.52,;-.07,2.85,;-1.61,2.85,;2.24,1.52,;3.01,.19,;4.55,.19,;5.32,1.52,;4.55,2.85,;3.01,2.85,;2.24,4.19,;5.32,-1.15,;4.55,-2.48,;5.32,-3.81,;6.86,-3.81,;7.63,-2.48,;6.86,-1.15,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11.4	n/a	n/a	n/a	n/a	n/a	25
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 US9340549 (2016) BindingDB Entry DOI: 10.7270/Q2SN07VD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325] (Homo sapiens (Human))	BDBM231123 (US9340549, 148) Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)NC(=O)c1ccnc(n1)-c1ccccc1 |r,wU:7.8,17.22,wD:14.15,(-8.78,-.02,;-7.45,.75,;-8.22,-.58,;-7.45,2.29,;-5.98,2.77,;-5.21,4.1,;-5.08,1.52,;-5.98,.27,;-5.58,-1.21,;-6.67,-2.3,;-6.28,-3.79,;-4.79,-4.19,;-3.7,-3.1,;-4.1,-1.61,;-3.54,1.52,;-2.77,.19,;-1.23,.19,;-.46,1.52,;-1.23,2.85,;-2.77,2.85,;1.08,1.52,;1.85,2.85,;1.08,4.19,;3.39,2.85,;4.16,4.19,;5.7,4.19,;6.47,2.85,;5.7,1.52,;4.16,1.52,;6.47,.19,;5.7,-1.15,;6.47,-2.48,;8.01,-2.48,;8.78,-1.15,;8.01,.19,)| Show InChI InChI=1S/C28H30N4O3/c1-28(2)24(19-9-5-3-6-10-19)32(27(34)35-28)22-15-13-21(14-16-22)30-26(33)23-17-18-29-25(31-23)20-11-7-4-8-12-20/h3-12,17-18,21-22,24H,13-16H2,1-2H3,(H,30,33)/t21-,22-,24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11.4	n/a	n/a	n/a	n/a	n/a	25
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 US9340549 (2016) BindingDB Entry DOI: 10.7270/Q2SN07VD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325] (Homo sapiens (Human))	BDBM231114 (US9340549, 139) Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)C1CC[C@@H](CC1)c1cc2ccncc2[nH]c1=O |r,wU:7.8,17.22,(-7.63,-.02,;-6.29,.75,;-7.06,-.58,;-6.29,2.29,;-4.83,2.77,;-4.06,4.1,;-3.92,1.52,;-4.83,.27,;-4.43,-1.21,;-5.52,-2.3,;-5.12,-3.79,;-3.63,-4.19,;-2.54,-3.1,;-2.94,-1.61,;-2.38,1.52,;-1.61,.19,;-.07,.19,;.7,1.52,;-.07,2.85,;-1.61,2.85,;2.24,1.52,;3.01,.19,;4.55,.19,;5.32,-1.15,;6.86,-1.15,;7.63,.19,;6.86,1.52,;5.32,1.52,;4.55,2.85,;3.01,2.85,;2.24,4.19,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11.5	n/a	n/a	n/a	n/a	n/a	25
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 US9340549 (2016) BindingDB Entry DOI: 10.7270/Q2SN07VD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325] (Homo sapiens (Human))	BDBM231020 (US9340549, 37) Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2ncccc2[nH]c1=O |r,wU:7.8,14.15,wD:17.22,(-6.69,.02,;-5.36,.79,;-6.13,-.54,;-5.36,2.33,;-3.89,2.81,;-3.12,4.14,;-2.99,1.56,;-3.89,.32,;-3.49,-1.17,;-4.58,-2.26,;-4.18,-3.75,;-2.69,-4.14,;-1.61,-3.05,;-2,-1.57,;-1.45,1.56,;-.68,2.9,;.86,2.9,;1.63,1.56,;.86,.23,;-.68,.23,;3.17,1.56,;4.08,.32,;3.76,-1.19,;4.9,-2.22,;6.37,-1.74,;6.69,-.24,;5.54,.79,;5.54,2.33,;4.08,2.81,;3.31,4.14,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11.8	n/a	n/a	n/a	n/a	n/a	25
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 US9340549 (2016) BindingDB Entry DOI: 10.7270/Q2SN07VD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325] (Homo sapiens (Human))	BDBM231018 (US9340549, 35) Show SMILES CC1(C)OC(=O)N(C1c1ccccc1)[C@H]1CC[C@@H](CC1)n1c2ccccc2[nH]c1=O |r,w:7.8,wU:14.15,wD:17.22,(-6.69,.02,;-5.36,.79,;-6.13,-.54,;-5.36,2.33,;-3.89,2.81,;-3.12,4.14,;-2.99,1.56,;-3.89,.32,;-3.49,-1.17,;-4.58,-2.26,;-4.18,-3.75,;-2.69,-4.14,;-1.61,-3.05,;-2,-1.57,;-1.45,1.56,;-.68,2.9,;.86,2.9,;1.63,1.56,;.86,.23,;-.68,.23,;3.17,1.56,;4.08,.32,;3.76,-1.19,;4.9,-2.22,;6.37,-1.74,;6.69,-.24,;5.54,.79,;5.54,2.33,;4.08,2.81,;3.31,4.14,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11.8	n/a	n/a	n/a	n/a	n/a	25
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 US9340549 (2016) BindingDB Entry DOI: 10.7270/Q2SN07VD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325] (Homo sapiens (Human))	BDBM231065 (US9340549, 88) Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)-c1cc2ccncc2[nH]c1=O |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11.8	n/a	n/a	n/a	n/a	n/a	25
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 US9340549 (2016) BindingDB Entry DOI: 10.7270/Q2SN07VD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325] (Homo sapiens (Human))	BDBM231120 (US9340549, 145) Show SMILES Cn1cc2cccc(C(=O)N[C@H]3CC[C@@H](CC3)N3[C@@H](c4ccccc4)C(C)(C)OC3=O)c2n1 |r,wU:18.19,11.10,wD:14.17,(6.09,-2.39,;6.09,-.85,;7.33,.06,;6.86,1.52,;7.63,2.85,;6.86,4.19,;5.32,4.19,;4.55,2.85,;3.01,2.85,;2.24,4.19,;2.24,1.52,;.7,1.52,;-.07,.19,;-1.61,.19,;-2.38,1.52,;-1.61,2.85,;-.07,2.85,;-3.92,1.52,;-4.83,.27,;-4.43,-1.21,;-5.52,-2.3,;-5.12,-3.79,;-3.63,-4.19,;-2.54,-3.1,;-2.94,-1.61,;-6.29,.75,;-7.63,-.02,;-7.06,-.58,;-6.29,2.29,;-4.83,2.77,;-4.06,4.1,;5.32,1.52,;4.84,.06,)| Show InChI InChI=1S/C26H30N4O3/c1-26(2)23(17-8-5-4-6-9-17)30(25(32)33-26)20-14-12-19(13-15-20)27-24(31)21-11-7-10-18-16-29(3)28-22(18)21/h4-11,16,19-20,23H,12-15H2,1-3H3,(H,27,31)/t19-,20-,23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13.7	n/a	n/a	n/a	n/a	n/a	25
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 US9340549 (2016) BindingDB Entry DOI: 10.7270/Q2SN07VD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325] (Homo sapiens (Human))	BDBM231075 (US9340549, 99) Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)c1cnc(N)c(c1)-c1nccc(n1)C(N)=N |r,wU:17.22,7.8,wD:14.15,(-7.16,6.16,;-5.83,5.39,;-7.16,4.62,;-4.92,6.64,;-3.46,6.16,;-2.13,6.93,;-3.46,4.62,;-4.92,4.14,;-5.32,2.66,;-6.81,2.26,;-7.21,.77,;-6.12,-.32,;-4.63,.08,;-4.23,1.57,;-2.13,3.85,;-2.13,2.31,;-.79,1.54,;.54,2.31,;.54,3.85,;-.79,4.62,;1.87,1.54,;3.21,2.31,;4.54,1.54,;4.54,,;5.88,-.77,;3.21,-.77,;1.87,,;3.21,-2.31,;1.87,-3.08,;1.87,-4.62,;3.21,-5.39,;4.54,-4.62,;4.54,-3.08,;5.88,-5.39,;7.21,-4.62,;5.88,-6.93,)| Show InChI InChI=1S/C27H31N7O2/c1-27(2)22(17-6-4-3-5-7-17)34(26(35)36-27)19-10-8-16(9-11-19)18-14-20(24(30)32-15-18)25-31-13-12-21(33-25)23(28)29/h3-7,12-16,19,22H,8-11H2,1-2H3,(H3,28,29)(H2,30,32)/t16-,19-,22-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14.3	n/a	n/a	n/a	n/a	n/a	25
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 US9340549 (2016) BindingDB Entry DOI: 10.7270/Q2SN07VD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325] (Homo sapiens (Human))	BDBM231106 (US9340549, 131) Show SMILES CC1(C)OC(=O)N(C1c1ccccc1)C1CCc(cC1)-c1cnc(N)c(c1)-c1ncccn1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	25
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 US9340549 (2016) BindingDB Entry DOI: 10.7270/Q2SN07VD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325] (Homo sapiens (Human))	BDBM231077 (US9340549, 101) Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)c1ccc(cc1)-c1cnc(N)c(c1)-c1cnnc(Cl)c1 |r| Show InChI InChI=1S/C26H22ClN5O2/c1-26(2)23(17-6-4-3-5-7-17)32(25(33)34-26)20-10-8-16(9-11-20)18-12-21(24(28)29-14-18)19-13-22(27)31-30-15-19/h3-15,23H,1-2H3,(H2,28,29)/t23-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16.2	n/a	n/a	n/a	n/a	n/a	25
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 US9340549 (2016) BindingDB Entry DOI: 10.7270/Q2SN07VD
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1 [1091-1325] (Homo sapiens (Human))	BDBM231015 (US9340549, 32) Show SMILES CC1(C)OC(=O)N([C@H]1c1ccccc1)[C@H]1CC[C@@H](CC1)C(=O)Nc1cccc2cccnc12 |r,wU:7.8,14.15,wD:17.22,(-7.63,.02,;-6.29,.79,;-7.06,-.54,;-6.29,2.33,;-4.83,2.81,;-4.06,4.14,;-3.92,1.56,;-4.83,.32,;-4.43,-1.17,;-5.52,-2.26,;-5.12,-3.75,;-3.63,-4.14,;-2.54,-3.05,;-2.94,-1.57,;-2.38,1.56,;-1.61,2.9,;-.07,2.9,;.7,1.56,;-.07,.23,;-1.61,.23,;2.24,1.56,;3.01,2.9,;3.01,.23,;4.55,.23,;5.32,1.56,;6.86,1.56,;7.63,.23,;6.86,-1.1,;7.63,-2.44,;6.86,-3.77,;5.32,-3.77,;4.55,-2.44,;5.32,-1.1,)| Show InChI InChI=1S/C27H29N3O3/c1-27(2)24(19-8-4-3-5-9-19)30(26(32)33-27)21-15-13-20(14-16-21)25(31)29-22-12-6-10-18-11-7-17-28-23(18)22/h3-12,17,20-21,24H,13-16H2,1-2H3,(H,29,31)/t20-,21-,24-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16.8	n/a	n/a	n/a	n/a	n/a	25
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 US9340549 (2016) BindingDB Entry DOI: 10.7270/Q2SN07VD
					More data for this Ligand-Target Pair

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