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Patent code US9505749

Compile Data Set for Download or QSAR

Found 527 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Tankyrase-1


(Homo sapiens (Human))
BDBM259592
PNG
(US9505749, 104)
Show SMILES O=C(CCSc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)n1c2ccc(cc2[nH]c1=O)C#N
Show InChI InChI=1S/C25H24N6O3S/c26-14-15-5-10-21-20(13-15)29-25(34)31(21)17-8-6-16(7-9-17)27-22(32)11-12-35-24-28-19-4-2-1-3-18(19)23(33)30-24/h1-5,10,13,16-17H,6-9,11-12H2,(H,27,32)(H,29,34)(H,28,30,33)/t16-,17-
PDB

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US Patent
n/an/a 0.0450n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Tankyrase-1


(Homo sapiens (Human))
BDBM259576
PNG
(US9505749, 87)
Show SMILES Clc1ccc2n([C@H]3CC[C@@H](CC3)NC(=O)CSc3nc4ccccc4c(=O)[nH]3)c(=O)[nH]c2c1
Show InChI InChI=1S/C23H22ClN5O3S/c24-13-5-10-19-18(11-13)27-23(32)29(19)15-8-6-14(7-9-15)25-20(30)12-33-22-26-17-4-2-1-3-16(17)21(31)28-22/h1-5,10-11,14-15H,6-9,12H2,(H,25,30)(H,27,32)(H,26,28,31)/t14-,15-
PDB

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US Patent
n/an/a 0.0597n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Tankyrase-1


(Homo sapiens (Human))
BDBM259607
PNG
(US9505749, 120)
Show SMILES COc1cccc(c1)-c1nnc(o1)[C@H]1CC[C@@H](CC1)NC(=O)CCSc1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C26H27N5O4S/c1-34-19-6-4-5-17(15-19)25-31-30-24(35-25)16-9-11-18(12-10-16)27-22(32)13-14-36-26-28-21-8-3-2-7-20(21)23(33)29-26/h2-8,15-16,18H,9-14H2,1H3,(H,27,32)(H,28,29,33)/t16-,18-
PDB

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n/an/a 0.0647n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Tankyrase-1


(Homo sapiens (Human))
BDBM259608
PNG
(US9505749, 121)
Show SMILES COc1ccc(cc1)-c1nnc(o1)[C@H]1CC[C@@H](CC1)NC(=O)CCSc1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C26H27N5O4S/c1-34-19-12-8-17(9-13-19)25-31-30-24(35-25)16-6-10-18(11-7-16)27-22(32)14-15-36-26-28-21-5-3-2-4-20(21)23(33)29-26/h2-5,8-9,12-13,16,18H,6-7,10-11,14-15H2,1H3,(H,27,32)(H,28,29,33)/t16-,18-
PDB

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n/an/a 0.0724n/an/an/an/an/an/a



AMGEN INC.

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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...


Citation and Details
More data for this
Ligand-Target Pair
Tankyrase-2


(Homo sapiens (Human))
BDBM259594
PNG
(US9505749, 107)
Show SMILES O=C(CCSc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)Oc1ccccn1
Show InChI InChI=1S/C22H24N4O3S/c27-19(12-14-30-22-25-18-6-2-1-5-17(18)21(28)26-22)24-15-8-10-16(11-9-15)29-20-7-3-4-13-23-20/h1-7,13,15-16H,8-12,14H2,(H,24,27)(H,25,26,28)/t15-,16-
PDB

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US Patent
n/an/a 0.0882n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Tankyrase-1


(Homo sapiens (Human))
BDBM259529
PNG
(US9505749, 40)
Show SMILES O=C(CCSc1nc2ccccc2c(=O)[nH]1)N[C@H]1C[C@@H](C1)c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C23H21N5O3S/c29-19(10-11-32-23-25-18-9-5-4-8-17(18)20(30)26-23)24-16-12-15(13-16)22-28-27-21(31-22)14-6-2-1-3-7-14/h1-9,15-16H,10-13H2,(H,24,29)(H,25,26,30)/t15-,16-
PDB

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n/an/a 0.0891n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Tankyrase-1


(Homo sapiens (Human))
BDBM50446537
PNG
(CHEMBL3110100 | US9505749, 106)
Show SMILES O=C(CCSc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)Oc1ccc(cc1)C#N
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-
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n/an/a 0.0973n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Tankyrase-1


(Homo sapiens (Human))
BDBM259584
PNG
(US9505749, 95)
Show SMILES O=C(CCCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)c1ncc(o1)-c1ccccc1
Show InChI InChI=1S/C27H28N4O3/c32-25(12-6-11-24-30-22-10-5-4-9-21(22)26(33)31-24)29-20-15-13-19(14-16-20)27-28-17-23(34-27)18-7-2-1-3-8-18/h1-5,7-10,17,19-20H,6,11-16H2,(H,29,32)(H,30,31,33)/t19-,20-
PDB

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n/an/a 0.0979n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Tankyrase-2


(Homo sapiens (Human))
BDBM259593
PNG
(US9505749, 105)
Show SMILES Clc1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)CCSc2nc3ccccc3c(=O)[nH]2)cc1
Show InChI InChI=1S/C23H24ClN3O3S/c24-15-5-9-17(10-6-15)30-18-11-7-16(8-12-18)25-21(28)13-14-31-23-26-20-4-2-1-3-19(20)22(29)27-23/h1-6,9-10,16,18H,7-8,11-14H2,(H,25,28)(H,26,27,29)/t16-,18-
PDB

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n/an/a 0.0982n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Tankyrase-1


(Homo sapiens (Human))
BDBM259605
PNG
(US9505749, 118)
Show SMILES Clc1cccc(c1)-c1nnc(o1)[C@H]1CC[C@@H](CC1)NC(=O)CCSc1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C25H24ClN5O3S/c26-17-5-3-4-16(14-17)24-31-30-23(34-24)15-8-10-18(11-9-15)27-21(32)12-13-35-25-28-20-7-2-1-6-19(20)22(33)29-25/h1-7,14-15,18H,8-13H2,(H,27,32)(H,28,29,33)/t15-,18-
PDB

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n/an/a 0.107n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Tankyrase-1


(Homo sapiens (Human))
BDBM50446538
PNG
(CHEMBL3110117 | US9505749, 97)
Show SMILES O=C(CCSc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)c1nnc(o1)-c1ccccc1
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

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n/an/a 0.109n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Tankyrase-1


(Homo sapiens (Human))
BDBM259590
PNG
(US9505749, 102)
Show SMILES Clc1ccc2[nH]c(=O)n([C@H]3CC[C@@H](CC3)NC(=O)CSc3nc4ccccc4c(=O)[nH]3)c2c1
Show InChI InChI=1S/C23H22ClN5O3S/c24-13-5-10-18-19(11-13)29(23(32)27-18)15-8-6-14(7-9-15)25-20(30)12-33-22-26-17-4-2-1-3-16(17)21(31)28-22/h1-5,10-11,14-15H,6-9,12H2,(H,25,30)(H,27,32)(H,26,28,31)/t14-,15-
PDB

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n/an/a 0.118n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Tankyrase-1


(Homo sapiens (Human))
BDBM259579
PNG
(US9505749, 90)
Show SMILES Clc1ccc2n([C@H]3CC[C@@H](CC3)NC(=O)CCSc3nc4ccccc4c(=O)[nH]3)c(=O)[nH]c2c1
Show InChI InChI=1S/C24H24ClN5O3S/c25-14-5-10-20-19(13-14)28-24(33)30(20)16-8-6-15(7-9-16)26-21(31)11-12-34-23-27-18-4-2-1-3-17(18)22(32)29-23/h1-5,10,13,15-16H,6-9,11-12H2,(H,26,31)(H,28,33)(H,27,29,32)/t15-,16-
PDB

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n/an/a 0.127n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Tankyrase-1


(Homo sapiens (Human))
BDBM259591
PNG
(US9505749, 103)
Show SMILES O=C(CSc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)n1c2ccc(cc2[nH]c1=O)C#N
Show InChI InChI=1S/C24H22N6O3S/c25-12-14-5-10-20-19(11-14)28-24(33)30(20)16-8-6-15(7-9-16)26-21(31)13-34-23-27-18-4-2-1-3-17(18)22(32)29-23/h1-5,10-11,15-16H,6-9,13H2,(H,26,31)(H,28,33)(H,27,29,32)/t15-,16-
PDB

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n/an/a 0.129n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Tankyrase-1


(Homo sapiens (Human))
BDBM259593
PNG
(US9505749, 105)
Show SMILES Clc1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)CCSc2nc3ccccc3c(=O)[nH]2)cc1
Show InChI InChI=1S/C23H24ClN3O3S/c24-15-5-9-17(10-6-15)30-18-11-7-16(8-12-18)25-21(28)13-14-31-23-26-20-4-2-1-3-19(20)22(29)27-23/h1-6,9-10,16,18H,7-8,11-14H2,(H,25,28)(H,26,27,29)/t16-,18-
PDB

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n/an/a 0.145n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Tankyrase-1


(Homo sapiens (Human))
BDBM259632
PNG
(US9505749, 145)
Show SMILES Fc1ccc2nc(SCCC(=O)N[C@H]3CC[C@@H](CC3)c3nnc(o3)-c3ccccc3)[nH]c(=O)c2c1
Show InChI InChI=1S/C25H24FN5O3S/c26-17-8-11-20-19(14-17)22(33)29-25(28-20)35-13-12-21(32)27-18-9-6-16(7-10-18)24-31-30-23(34-24)15-4-2-1-3-5-15/h1-5,8,11,14,16,18H,6-7,9-10,12-13H2,(H,27,32)(H,28,29,33)/t16-,18-
PDB

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n/an/a 0.148n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Tankyrase-1


(Homo sapiens (Human))
BDBM259609
PNG
(US9505749, 122)
Show SMILES Fc1ccc(cc1Cl)-c1nnc(o1)[C@H]1CC[C@@H](CC1)NC(=O)CCSc1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C25H23ClFN5O3S/c26-18-13-15(7-10-19(18)27)24-32-31-23(35-24)14-5-8-16(9-6-14)28-21(33)11-12-36-25-29-20-4-2-1-3-17(20)22(34)30-25/h1-4,7,10,13-14,16H,5-6,8-9,11-12H2,(H,28,33)(H,29,30,34)/t14-,16-
PDB

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n/an/a 0.153n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Tankyrase-1


(Homo sapiens (Human))
BDBM259595
PNG
(US9505749, 108)
Show SMILES O=C(CCSc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)Oc1ccncc1
Show InChI InChI=1S/C22H24N4O3S/c27-20(11-14-30-22-25-19-4-2-1-3-18(19)21(28)26-22)24-15-5-7-16(8-6-15)29-17-9-12-23-13-10-17/h1-4,9-10,12-13,15-16H,5-8,11,14H2,(H,24,27)(H,25,26,28)/t15-,16-
PDB

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n/an/a 0.153n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Tankyrase-2


(Homo sapiens (Human))
BDBM259584
PNG
(US9505749, 95)
Show SMILES O=C(CCCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)c1ncc(o1)-c1ccccc1
Show InChI InChI=1S/C27H28N4O3/c32-25(12-6-11-24-30-22-10-5-4-9-21(22)26(33)31-24)29-20-15-13-19(14-16-20)27-28-17-23(34-27)18-7-2-1-3-8-18/h1-5,7-10,17,19-20H,6,11-16H2,(H,29,32)(H,30,31,33)/t19-,20-
PDB

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n/an/a 0.160n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Tankyrase-1


(Homo sapiens (Human))
BDBM259563
PNG
(US9505749, 74)
Show SMILES Clc1ccc2n([C@H]3CC[C@@H](CC3)NC(=O)CCCc3nc4ccccc4c(=O)[nH]3)c(=O)[nH]c2c1
Show InChI InChI=1S/C25H26ClN5O3/c26-15-8-13-21-20(14-15)29-25(34)31(21)17-11-9-16(10-12-17)27-23(32)7-3-6-22-28-19-5-2-1-4-18(19)24(33)30-22/h1-2,4-5,8,13-14,16-17H,3,6-7,9-12H2,(H,27,32)(H,29,34)(H,28,30,33)/t16-,17-
PDB

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n/an/a 0.161n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Tankyrase-1


(Homo sapiens (Human))
BDBM259603
PNG
(US9505749, 116)
Show SMILES O=C(CCSc1nc2CCCCc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)Oc1ccc(cc1)C#N
Show InChI InChI=1S/C24H28N4O3S/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/h5-6,9-10,17,19H,1-4,7-8,11-14H2,(H,26,29)(H,27,28,30)/t17-,19-
PDB

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n/an/a 0.167n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Tankyrase-1


(Homo sapiens (Human))
BDBM259594
PNG
(US9505749, 107)
Show SMILES O=C(CCSc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)Oc1ccccn1
Show InChI InChI=1S/C22H24N4O3S/c27-19(12-14-30-22-25-18-6-2-1-5-17(18)21(28)26-22)24-15-8-10-16(11-9-15)29-20-7-3-4-13-23-20/h1-7,13,15-16H,8-12,14H2,(H,24,27)(H,25,26,28)/t15-,16-
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AMGEN INC.

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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...


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More data for this
Ligand-Target Pair
Tankyrase-1


(Homo sapiens (Human))
BDBM259601
PNG
(US9505749, 114)
Show SMILES Clc1cc(O[C@H]2CC[C@@H](CC2)NC(=O)CCSc2nc3ccccc3c(=O)[nH]2)ccc1C#N
Show InChI InChI=1S/C24H23ClN4O3S/c25-20-13-18(8-5-15(20)14-26)32-17-9-6-16(7-10-17)27-22(30)11-12-33-24-28-21-4-2-1-3-19(21)23(31)29-24/h1-5,8,13,16-17H,6-7,9-12H2,(H,27,30)(H,28,29,31)/t16-,17-
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AMGEN INC.

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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...


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More data for this
Ligand-Target Pair
Tankyrase-2


(Homo sapiens (Human))
BDBM259612
PNG
(US9505749, 125)
Show SMILES Clc1ccc(cc1)-c1nnc(o1)[C@H]1CC[C@@H](CC1)NC(=O)CCSc1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C25H24ClN5O3S/c26-17-9-5-15(6-10-17)23-30-31-24(34-23)16-7-11-18(12-8-16)27-21(32)13-14-35-25-28-20-4-2-1-3-19(20)22(33)29-25/h1-6,9-10,16,18H,7-8,11-14H2,(H,27,32)(H,28,29,33)/t16-,18-
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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...


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More data for this
Ligand-Target Pair
Tankyrase-1


(Homo sapiens (Human))
BDBM259562
PNG
(US9505749, 73)
Show SMILES O=C(CCCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C25H27N5O3/c31-23(11-5-10-22-27-19-7-2-1-6-18(19)24(32)29-22)26-16-12-14-17(15-13-16)30-21-9-4-3-8-20(21)28-25(30)33/h1-4,6-9,16-17H,5,10-15H2,(H,26,31)(H,28,33)(H,27,29,32)/t16-,17-
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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...


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More data for this
Ligand-Target Pair
Tankyrase-1


(Homo sapiens (Human))
BDBM259602
PNG
(US9505749, 115)
Show SMILES O=C(CCSc1nc2CCCCc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C25H29N5O3S/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/h1-3,6-7,17-18H,4-5,8-15H2,(H,26,31)(H,27,28,32)/t17-,18-
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AMGEN INC.

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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...


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More data for this
Ligand-Target Pair
Tankyrase-2


(Homo sapiens (Human))
BDBM259519
PNG
(US9505749, 30)
Show SMILES COc1ccc(cc1)-c1nnc(o1)[C@H]1CC[C@@H](CC1)NC(=O)CCCc1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C27H29N5O4/c1-35-20-15-11-18(12-16-20)27-32-31-26(36-27)17-9-13-19(14-10-17)28-24(33)8-4-7-23-29-22-6-3-2-5-21(22)25(34)30-23/h2-3,5-6,11-12,15-17,19H,4,7-10,13-14H2,1H3,(H,28,33)(H,29,30,34)/t17-,19-
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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...


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More data for this
Ligand-Target Pair
Tankyrase-2


(Homo sapiens (Human))
BDBM259541
PNG
(US9505749, 52)
Show SMILES FC(F)(F)c1ccc2n(C3CCN(CC3)C(=O)CCCc3nc4ccccc4c(=O)[nH]3)c(=O)[nH]c2c1
Show InChI InChI=1S/C25H24F3N5O3/c26-25(27,28)15-8-9-20-19(14-15)30-24(36)33(20)16-10-12-32(13-11-16)22(34)7-3-6-21-29-18-5-2-1-4-17(18)23(35)31-21/h1-2,4-5,8-9,14,16H,3,6-7,10-13H2,(H,30,36)(H,29,31,35)
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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...


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More data for this
Ligand-Target Pair
Tankyrase-1


(Homo sapiens (Human))
BDBM259606
PNG
(US9505749, 119)
Show SMILES Fc1cccc(c1)-c1nnc(o1)[C@H]1CC[C@@H](CC1)NC(=O)CCSc1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C25H24FN5O3S/c26-17-5-3-4-16(14-17)24-31-30-23(34-24)15-8-10-18(11-9-15)27-21(32)12-13-35-25-28-20-7-2-1-6-19(20)22(33)29-25/h1-7,14-15,18H,8-13H2,(H,27,32)(H,28,29,33)/t15-,18-
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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...


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More data for this
Ligand-Target Pair
Tankyrase-2


(Homo sapiens (Human))
BDBM259524
PNG
(US9505749, 35)
Show SMILES Fc1ccc(cc1Cl)-c1nnc(o1)[C@H]1CC[C@@H](CC1)NC(=O)CCCc1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C26H25ClFN5O3/c27-19-14-16(10-13-20(19)28)26-33-32-25(36-26)15-8-11-17(12-9-15)29-23(34)7-3-6-22-30-21-5-2-1-4-18(21)24(35)31-22/h1-2,4-5,10,13-15,17H,3,6-9,11-12H2,(H,29,34)(H,30,31,35)/t15-,17-
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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...


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More data for this
Ligand-Target Pair
Tankyrase-1


(Homo sapiens (Human))
BDBM259596
PNG
(US9505749, 109)
Show SMILES O=C(CCSc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)Oc1cccc(c1)C#N
Show InChI InChI=1S/C24H24N4O3S/c25-15-16-4-3-5-19(14-16)31-18-10-8-17(9-11-18)26-22(29)12-13-32-24-27-21-7-2-1-6-20(21)23(30)28-24/h1-7,14,17-18H,8-13H2,(H,26,29)(H,27,28,30)/t17-,18-
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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...


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More data for this
Ligand-Target Pair
Tankyrase-2


(Homo sapiens (Human))
BDBM259550
PNG
(US9505749, 61)
Show SMILES O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCC(CC1)n1c2cccc(C#N)c2[nH]c1=O
Show InChI InChI=1S/C25H24N6O3/c26-15-16-5-3-8-20-23(16)29-25(34)31(20)17-11-13-30(14-12-17)22(32)10-4-9-21-27-19-7-2-1-6-18(19)24(33)28-21/h1-3,5-8,17H,4,9-14H2,(H,29,34)(H,27,28,33)
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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...


Citation and Details
More data for this
Ligand-Target Pair
Tankyrase-1


(Homo sapiens (Human))
BDBM259599
PNG
(US9505749, 112)
Show SMILES Clc1cccc(O[C@H]2CC[C@@H](CC2)NC(=O)CCSc2nc3ccccc3c(=O)[nH]2)c1
Show InChI InChI=1S/C23H24ClN3O3S/c24-15-4-3-5-18(14-15)30-17-10-8-16(9-11-17)25-21(28)12-13-31-23-26-20-7-2-1-6-19(20)22(29)27-23/h1-7,14,16-17H,8-13H2,(H,25,28)(H,26,27,29)/t16-,17-
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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...


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More data for this
Ligand-Target Pair
Tankyrase-2


(Homo sapiens (Human))
BDBM259574
PNG
(US9505749, 85)
Show SMILES Clc1ccc2n([C@H]3CC[C@@H](CC3)NC(=O)CCc3nc4ccccc4c(=O)[nH]3)c(=O)[nH]c2c1
Show InChI InChI=1S/C24H24ClN5O3/c25-14-5-10-20-19(13-14)28-24(33)30(20)16-8-6-15(7-9-16)26-22(31)12-11-21-27-18-4-2-1-3-17(18)23(32)29-21/h1-5,10,13,15-16H,6-9,11-12H2,(H,26,31)(H,28,33)(H,27,29,32)/t15-,16-
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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...


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More data for this
Ligand-Target Pair
Tankyrase-2


(Homo sapiens (Human))
BDBM259520
PNG
(US9505749, 31)
Show SMILES Fc1cccc(c1)-c1nnc(o1)[C@H]1CC[C@@H](CC1)NC(=O)CCCc1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C26H26FN5O3/c27-18-6-3-5-17(15-18)26-32-31-25(35-26)16-11-13-19(14-12-16)28-23(33)10-4-9-22-29-21-8-2-1-7-20(21)24(34)30-22/h1-3,5-8,15-16,19H,4,9-14H2,(H,28,33)(H,29,30,34)/t16-,19-
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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...


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More data for this
Ligand-Target Pair
Tankyrase-1


(Homo sapiens (Human))
BDBM259588
PNG
(US9505749, 100)
Show SMILES Fc1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)CCSc2nc3ccccc3c(=O)[nH]2)cc1
Show InChI InChI=1S/C23H24FN3O3S/c24-15-5-9-17(10-6-15)30-18-11-7-16(8-12-18)25-21(28)13-14-31-23-26-20-4-2-1-3-19(20)22(29)27-23/h1-6,9-10,16,18H,7-8,11-14H2,(H,25,28)(H,26,27,29)/t16-,18-
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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...


Citation and Details
More data for this
Ligand-Target Pair
Tankyrase-2


(Homo sapiens (Human))
BDBM259599
PNG
(US9505749, 112)
Show SMILES Clc1cccc(O[C@H]2CC[C@@H](CC2)NC(=O)CCSc2nc3ccccc3c(=O)[nH]2)c1
Show InChI InChI=1S/C23H24ClN3O3S/c24-15-4-3-5-18(14-15)30-17-10-8-16(9-11-17)25-21(28)12-13-31-23-26-20-7-2-1-6-19(20)22(29)27-23/h1-7,14,16-17H,8-13H2,(H,25,28)(H,26,27,29)/t16-,17-
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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...


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More data for this
Ligand-Target Pair
Tankyrase-1


(Homo sapiens (Human))
BDBM259604
PNG
(US9505749, 117)
Show SMILES Fc1ccc(cc1)-c1nnc(o1)[C@H]1CC[C@@H](CC1)NC(=O)CCSc1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C25H24FN5O3S/c26-17-9-5-15(6-10-17)23-30-31-24(34-23)16-7-11-18(12-8-16)27-21(32)13-14-35-25-28-20-4-2-1-3-19(20)22(33)29-25/h1-6,9-10,16,18H,7-8,11-14H2,(H,27,32)(H,28,29,33)/t16-,18-
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AMGEN INC.

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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...


Citation and Details
More data for this
Ligand-Target Pair
Tankyrase-2


(Homo sapiens (Human))
BDBM259525
PNG
(US9505749, 36)
Show SMILES Clc1cccc(c1)-c1nnc(o1)[C@H]1CC[C@@H](CC1)NC(=O)CCCc1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C26H26ClN5O3/c27-18-6-3-5-17(15-18)26-32-31-25(35-26)16-11-13-19(14-12-16)28-23(33)10-4-9-22-29-21-8-2-1-7-20(21)24(34)30-22/h1-3,5-8,15-16,19H,4,9-14H2,(H,28,33)(H,29,30,34)/t16-,19-
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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...


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More data for this
Ligand-Target Pair
Tankyrase-1


(Homo sapiens (Human))
BDBM259524
PNG
(US9505749, 35)
Show SMILES Fc1ccc(cc1Cl)-c1nnc(o1)[C@H]1CC[C@@H](CC1)NC(=O)CCCc1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C26H25ClFN5O3/c27-19-14-16(10-13-20(19)28)26-33-32-25(36-26)15-8-11-17(12-9-15)29-23(34)7-3-6-22-30-21-5-2-1-4-18(21)24(35)31-22/h1-2,4-5,10,13-15,17H,3,6-9,11-12H2,(H,29,34)(H,30,31,35)/t15-,17-
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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...


Citation and Details
More data for this
Ligand-Target Pair
Tankyrase-1


(Homo sapiens (Human))
BDBM259611
PNG
(US9505749, 124)
Show SMILES O=C(CCSc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)c1nnc(o1)-c1ccncc1
Show InChI InChI=1S/C24H24N6O3S/c31-20(11-14-34-24-27-19-4-2-1-3-18(19)21(32)28-24)26-17-7-5-15(6-8-17)22-29-30-23(33-22)16-9-12-25-13-10-16/h1-4,9-10,12-13,15,17H,5-8,11,14H2,(H,26,31)(H,27,28,32)/t15-,17-
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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...


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More data for this
Ligand-Target Pair
Tankyrase-2


(Homo sapiens (Human))
BDBM259557
PNG
(US9505749, 68)
Show SMILES O=C(CCCc1nc2ccccc2c(=O)[nH]1)N1CCC(CC1)n1c2ccc(cc2[nH]c1=O)C#N
Show InChI InChI=1S/C25H24N6O3/c26-15-16-8-9-21-20(14-16)28-25(34)31(21)17-10-12-30(13-11-17)23(32)7-3-6-22-27-19-5-2-1-4-18(19)24(33)29-22/h1-2,4-5,8-9,14,17H,3,6-7,10-13H2,(H,28,34)(H,27,29,33)
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AMGEN INC.

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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...


Citation and Details
More data for this
Ligand-Target Pair
Tankyrase-2


(Homo sapiens (Human))
BDBM259600
PNG
(US9505749, 113)
Show SMILES Clc1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)CCSc2nc3ccccc3c(=O)[nH]2)cc1C#N
Show InChI InChI=1S/C24H23ClN4O3S/c25-20-10-9-18(13-15(20)14-26)32-17-7-5-16(6-8-17)27-22(30)11-12-33-24-28-21-4-2-1-3-19(21)23(31)29-24/h1-4,9-10,13,16-17H,5-8,11-12H2,(H,27,30)(H,28,29,31)/t16-,17-
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n/an/a 0.294n/an/an/an/an/an/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...


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More data for this
Ligand-Target Pair
Tankyrase-2


(Homo sapiens (Human))
BDBM259521
PNG
(US9505749, 32)
Show SMILES COc1cccc(c1)-c1nnc(o1)[C@H]1CC[C@@H](CC1)NC(=O)CCCc1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C27H29N5O4/c1-35-20-7-4-6-18(16-20)27-32-31-26(36-27)17-12-14-19(15-13-17)28-24(33)11-5-10-23-29-22-9-3-2-8-21(22)25(34)30-23/h2-4,6-9,16-17,19H,5,10-15H2,1H3,(H,28,33)(H,29,30,34)/t17-,19-
PDB

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n/an/a 0.301n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Tankyrase-2


(Homo sapiens (Human))
BDBM259596
PNG
(US9505749, 109)
Show SMILES O=C(CCSc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)Oc1cccc(c1)C#N
Show InChI InChI=1S/C24H24N4O3S/c25-15-16-4-3-5-19(14-16)31-18-10-8-17(9-11-18)26-22(29)12-13-32-24-27-21-7-2-1-6-20(21)23(30)28-24/h1-7,14,17-18H,8-13H2,(H,26,29)(H,27,28,30)/t17-,18-
PDB

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n/an/a 0.302n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Tankyrase-2


(Homo sapiens (Human))
BDBM259517
PNG
(US9505749, 28)
Show SMILES Fc1ccc(cc1)-c1nnc(o1)[C@H]1CC[C@@H](CC1)NC(=O)CCCc1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C26H26FN5O3/c27-18-12-8-16(9-13-18)25-31-32-26(35-25)17-10-14-19(15-11-17)28-23(33)7-3-6-22-29-21-5-2-1-4-20(21)24(34)30-22/h1-2,4-5,8-9,12-13,17,19H,3,6-7,10-11,14-15H2,(H,28,33)(H,29,30,34)/t17-,19-
PDB

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n/an/a 0.303n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Tankyrase-1


(Homo sapiens (Human))
BDBM259600
PNG
(US9505749, 113)
Show SMILES Clc1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)CCSc2nc3ccccc3c(=O)[nH]2)cc1C#N
Show InChI InChI=1S/C24H23ClN4O3S/c25-20-10-9-18(13-15(20)14-26)32-17-7-5-16(6-8-17)27-22(30)11-12-33-24-28-21-4-2-1-3-19(21)23(31)29-24/h1-4,9-10,13,16-17H,5-8,11-12H2,(H,27,30)(H,28,29,31)/t16-,17-
PDB

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n/an/a 0.323n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Tankyrase-2


(Homo sapiens (Human))
BDBM259522
PNG
(US9505749, 33)
Show SMILES O=C(CCCc1nc2ccccc2c(=O)[nH]1)N[C@H]1CC[C@@H](CC1)c1nnc(o1)-c1ccncc1
Show InChI InChI=1S/C25H26N6O3/c32-22(7-3-6-21-28-20-5-2-1-4-19(20)23(33)29-21)27-18-10-8-16(9-11-18)24-30-31-25(34-24)17-12-14-26-15-13-17/h1-2,4-5,12-16,18H,3,6-11H2,(H,27,32)(H,28,29,33)/t16-,18-
PDB

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n/an/a 0.341n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Tankyrase-2


(Homo sapiens (Human))
BDBM259575
PNG
(US9505749, 86)
Show SMILES Clc1ccc2[nH]c(=O)n([C@H]3CC[C@@H](CC3)NC(=O)CCc3nc4ccccc4c(=O)[nH]3)c2c1
Show InChI InChI=1S/C24H24ClN5O3/c25-14-5-10-19-20(13-14)30(24(33)28-19)16-8-6-15(7-9-16)26-22(31)12-11-21-27-18-4-2-1-3-17(18)23(32)29-21/h1-5,10,13,15-16H,6-9,11-12H2,(H,26,31)(H,28,33)(H,27,29,32)/t15-,16-
PDB

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n/an/a 0.347n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
Tankyrase-2


(Homo sapiens (Human))
BDBM259588
PNG
(US9505749, 100)
Show SMILES Fc1ccc(O[C@H]2CC[C@@H](CC2)NC(=O)CCSc2nc3ccccc3c(=O)[nH]2)cc1
Show InChI InChI=1S/C23H24FN3O3S/c24-15-5-9-17(10-6-15)30-18-11-7-16(8-12-18)25-21(28)13-14-31-23-26-20-4-2-1-3-19(20)22(29)27-23/h1-6,9-10,16,18H,7-8,11-14H2,(H,25,28)(H,26,27,29)/t16-,18-
PDB

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n/an/a 0.362n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%