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15 similar compounds to monomer 36412

Compile data set for download or QSAR
Wt: 443.8
BDBM50294820
Wt: 423.4
BDBM50294821
Wt: 439.4
BDBM50294822
Wt: 443.8
BDBM50294823
Wt: 423.4
BDBM50294824
Wt: 439.4
BDBM50294825
Wt: 423.4
BDBM50294834
Wt: 409.4
BDBM50294835
Purchase
Wt: 411.4
BDBM50294836
Wt: 423.4
BDBM50294787
Wt: 358.3
BDBM50294790
Wt: 392.8
BDBM50294798
Wt: 358.3
BDBM50382969
Wt: 409.4
BDBM50380591
Wt: 423.4
BDBM50425970

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 33 hits for monomerid = 50294820,50294821,50294822,50294823,50294824,50294825,50294834,50294835,50294836,50294787,50294790,50294798,50382969,50380591,50425970   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein Wnt


(Mus musculus (Mouse))
BDBM50294835
PNG
(4-((1S,2S,6R,7R)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*...)
Show SMILES Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1)C(=O)Nc1cccc2cccnc12
Show InChI InChI=1/C25H19N3O3/c29-23(27-19-5-1-3-14-4-2-12-26-22(14)19)15-8-10-18(11-9-15)28-24(30)20-16-6-7-17(13-16)21(20)25(28)31/h1-12,16-17,30-31H,13H2,(H,27,29)/t16-,17+
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n/an/a 58n/an/an/an/a7.44



University of Texas Southwestern Medical Center



Assay Description
Inhibition assay of Wnt response treated with exogenously supplied of Wnt protein ('exogenous Wnt' test)


Nat Chem Biol 5: 100-7 (2009)


Article DOI: 10.1038/nchembio.137
BindingDB Entry DOI: 10.7270/Q2HX1B20
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))
BDBM50294835
PNG
(4-((1S,2S,6R,7R)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*...)
Show SMILES Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1)C(=O)Nc1cccc2cccnc12
Show InChI InChI=1/C25H19N3O3/c29-23(27-19-5-1-3-14-4-2-12-26-22(14)19)15-8-10-18(11-9-15)28-24(30)20-16-6-7-17(13-16)21(20)25(28)31/h1-12,16-17,30-31H,13H2,(H,27,29)/t16-,17+
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n/an/a>1.87E+4n/an/an/an/an/an/a



Abo Akademi University

Curated by ChEMBL


Assay Description
Inhibition of PARP2


J Med Chem 55: 1360-7 (2012)


Article DOI: 10.1021/jm201510p
BindingDB Entry DOI: 10.7270/Q2WS8V8K
More data for this
Ligand-Target Pair
Proto-oncogene protein Wnt-3


(Homo sapiens (Human))
BDBM50294790
PNG
(4-((1R,2S,6R,7R)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*...)
Show SMILES Oc1c2[C@@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1)C(=O)Nc1ccccc1
Show InChI InChI=1/C22H18N2O3/c25-20(23-16-4-2-1-3-5-16)13-8-10-17(11-9-13)24-21(26)18-14-6-7-15(12-14)19(18)22(24)27/h1-11,14-15,26-27H,12H2,(H,23,25)/t14-,15-/s2
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n/an/an/an/a>2.50E+4n/an/an/an/a



The University of Texas Southwestern Medical Center at Dallas

Curated by ChEMBL


Assay Description
Inhibition of Wnt3 expressed in mouse L-cells assessed as inhibition of Wnt/catanin signaling pathway by luciferase reporter gene assay


Bioorg Med Chem Lett 19: 3825-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.040
BindingDB Entry DOI: 10.7270/Q2DZ08BS
More data for this
Ligand-Target Pair
Proto-oncogene protein Wnt-3


(Homo sapiens (Human))
BDBM50294798
PNG
(CHEMBL560712 | N-(4-Chloro-phenyl)-4-((1R,2S,6R,7S...)
Show SMILES Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1/C22H17ClN2O3/c23-15-5-7-16(8-6-15)24-20(26)12-3-9-17(10-4-12)25-21(27)18-13-1-2-14(11-13)19(18)22(25)28/h1-10,13-14,27-28H,11H2,(H,24,26)/t13-,14+
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n/an/an/an/a 3.00E+3n/an/an/an/a



The University of Texas Southwestern Medical Center at Dallas

Curated by ChEMBL


Assay Description
Inhibition of Wnt3 expressed in mouse L-cells assessed as inhibition of Wnt/catanin signaling pathway by luciferase reporter gene assay


Bioorg Med Chem Lett 19: 3825-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.040
BindingDB Entry DOI: 10.7270/Q2DZ08BS
More data for this
Ligand-Target Pair
Proto-oncogene protein Wnt-3


(Homo sapiens (Human))
BDBM50294820
PNG
(3-Chloro-4-((1R,2S,6R,7S)-3,5-dioxo-4-aza-tricyclo...)
Show SMILES Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1Cl)C(=O)Nc1cccc2cccnc12
Show InChI InChI=1/C25H18ClN3O3/c26-17-12-16(23(30)28-18-5-1-3-13-4-2-10-27-22(13)18)8-9-19(17)29-24(31)20-14-6-7-15(11-14)21(20)25(29)32/h1-10,12,14-15,31-32H,11H2,(H,28,30)/t14-,15+
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n/an/an/an/a>2.50E+4n/an/an/an/a



The University of Texas Southwestern Medical Center at Dallas

Curated by ChEMBL


Assay Description
Inhibition of Wnt3 expressed in mouse L-cells assessed as inhibition of Wnt/catanin signaling pathway by luciferase reporter gene assay


Bioorg Med Chem Lett 19: 3825-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.040
BindingDB Entry DOI: 10.7270/Q2DZ08BS
More data for this
Ligand-Target Pair
Proto-oncogene protein Wnt-3


(Homo sapiens (Human))
BDBM50294821
PNG
(4-((1R,2S,6R,7S)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*...)
Show SMILES Cc1cc(ccc1-n1c(O)c2[C@H]3C[C@H](C=C3)c2c1O)C(=O)Nc1cccc2cccnc12
Show InChI InChI=1/C26H21N3O3/c1-14-12-18(24(30)28-19-6-2-4-15-5-3-11-27-23(15)19)9-10-20(14)29-25(31)21-16-7-8-17(13-16)22(21)26(29)32/h2-12,16-17,31-32H,13H2,1H3,(H,28,30)/t16-,17+
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n/an/an/an/a>2.50E+4n/an/an/an/a



The University of Texas Southwestern Medical Center at Dallas

Curated by ChEMBL


Assay Description
Inhibition of Wnt3 expressed in mouse L-cells assessed as inhibition of Wnt/catanin signaling pathway by luciferase reporter gene assay


Bioorg Med Chem Lett 19: 3825-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.040
BindingDB Entry DOI: 10.7270/Q2DZ08BS
More data for this
Ligand-Target Pair
Proto-oncogene protein Wnt-3


(Homo sapiens (Human))
BDBM50294822
PNG
(4-((1R,2S,6R,7S)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*...)
Show SMILES COc1cc(ccc1-n1c(O)c2[C@H]3C[C@H](C=C3)c2c1O)C(=O)Nc1cccc2cccnc12
Show InChI InChI=1/C26H21N3O4/c1-33-20-13-17(24(30)28-18-6-2-4-14-5-3-11-27-23(14)18)9-10-19(20)29-25(31)21-15-7-8-16(12-15)22(21)26(29)32/h2-11,13,15-16,31-32H,12H2,1H3,(H,28,30)/t15-,16+
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n/an/an/an/a>2.50E+4n/an/an/an/a



The University of Texas Southwestern Medical Center at Dallas

Curated by ChEMBL


Assay Description
Inhibition of Wnt3 expressed in mouse L-cells assessed as inhibition of Wnt/catanin signaling pathway by luciferase reporter gene assay


Bioorg Med Chem Lett 19: 3825-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.040
BindingDB Entry DOI: 10.7270/Q2DZ08BS
More data for this
Ligand-Target Pair
Proto-oncogene protein Wnt-3


(Homo sapiens (Human))
BDBM50294823
PNG
(2-Chloro-4-((1R,2S,6R,7S)-3,5-dioxo-4-aza-tricyclo...)
Show SMILES Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(C(=O)Nc2cccc3cccnc23)c(Cl)c1
Show InChI InChI=1/C25H18ClN3O3/c26-18-12-16(29-24(31)20-14-6-7-15(11-14)21(20)25(29)32)8-9-17(18)23(30)28-19-5-1-3-13-4-2-10-27-22(13)19/h1-10,12,14-15,31-32H,11H2,(H,28,30)/t14-,15+
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n/an/an/an/a 1.00E+3n/an/an/an/a



The University of Texas Southwestern Medical Center at Dallas

Curated by ChEMBL


Assay Description
Inhibition of Wnt3 expressed in mouse L-cells assessed as inhibition of Wnt/catanin signaling pathway by luciferase reporter gene assay


Bioorg Med Chem Lett 19: 3825-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.040
BindingDB Entry DOI: 10.7270/Q2DZ08BS
More data for this
Ligand-Target Pair
Proto-oncogene protein Wnt-3


(Homo sapiens (Human))
BDBM50294824
PNG
(4-((1R,2S,6R,7S)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*...)
Show SMILES Cc1cc(ccc1C(=O)Nc1cccc2cccnc12)-n1c(O)c2[C@H]3C[C@H](C=C3)c2c1O
Show InChI InChI=1/C26H21N3O3/c1-14-12-18(29-25(31)21-16-7-8-17(13-16)22(21)26(29)32)9-10-19(14)24(30)28-20-6-2-4-15-5-3-11-27-23(15)20/h2-12,16-17,31-32H,13H2,1H3,(H,28,30)/t16-,17+
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n/an/an/an/a 2.00E+3n/an/an/an/a



The University of Texas Southwestern Medical Center at Dallas

Curated by ChEMBL


Assay Description
Inhibition of Wnt3 expressed in mouse L-cells assessed as inhibition of Wnt/catanin signaling pathway by luciferase reporter gene assay


Bioorg Med Chem Lett 19: 3825-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.040
BindingDB Entry DOI: 10.7270/Q2DZ08BS
More data for this
Ligand-Target Pair
Proto-oncogene protein Wnt-3


(Homo sapiens (Human))
BDBM50294825
PNG
(4-((1R,2S,6R,7S)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*...)
Show SMILES COc1cc(ccc1C(=O)Nc1cccc2cccnc12)-n1c(O)c2[C@H]3C[C@H](C=C3)c2c1O
Show InChI InChI=1/C26H21N3O4/c1-33-20-13-17(29-25(31)21-15-7-8-16(12-15)22(21)26(29)32)9-10-18(20)24(30)28-19-6-2-4-14-5-3-11-27-23(14)19/h2-11,13,15-16,31-32H,12H2,1H3,(H,28,30)/t15-,16+
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n/an/an/an/a>2.50E+4n/an/an/an/a



The University of Texas Southwestern Medical Center at Dallas

Curated by ChEMBL


Assay Description
Inhibition of Wnt3 expressed in mouse L-cells assessed as inhibition of Wnt/catanin signaling pathway by luciferase reporter gene assay


Bioorg Med Chem Lett 19: 3825-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.040
BindingDB Entry DOI: 10.7270/Q2DZ08BS
More data for this
Ligand-Target Pair
Proto-oncogene protein Wnt-3


(Homo sapiens (Human))
BDBM50294834
PNG
(4-((1R,2S,6R,7S)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*...)
Show SMILES CN(C(=O)c1ccc(cc1)-n1c(O)c2[C@H]3C[C@H](C=C3)c2c1O)c1cccc2cccnc12
Show InChI InChI=1/C26H21N3O3/c1-28(20-6-2-4-15-5-3-13-27-23(15)20)24(30)16-9-11-19(12-10-16)29-25(31)21-17-7-8-18(14-17)22(21)26(29)32/h2-13,17-18,31-32H,14H2,1H3/t17-,18+
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n/an/an/an/a>2.50E+4n/an/an/an/a



The University of Texas Southwestern Medical Center at Dallas

Curated by ChEMBL


Assay Description
Inhibition of Wnt3 expressed in mouse L-cells assessed as inhibition of Wnt/catanin signaling pathway by luciferase reporter gene assay


Bioorg Med Chem Lett 19: 3825-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.040
BindingDB Entry DOI: 10.7270/Q2DZ08BS
More data for this
Ligand-Target Pair
Proto-oncogene protein Wnt-3


(Homo sapiens (Human))
BDBM50294835
PNG
(4-((1S,2S,6R,7R)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*...)
Show SMILES Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1)C(=O)Nc1cccc2cccnc12
Show InChI InChI=1/C25H19N3O3/c29-23(27-19-5-1-3-14-4-2-12-26-22(14)19)15-8-10-18(11-9-15)28-24(30)20-16-6-7-17(13-16)21(20)25(28)31/h1-12,16-17,30-31H,13H2,(H,27,29)/t16-,17+
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n/an/an/an/a 5.00E+3n/an/an/an/a



The University of Texas Southwestern Medical Center at Dallas

Curated by ChEMBL


Assay Description
Inhibition of Wnt3 expressed in mouse L-cells assessed as inhibition of Wnt/catanin signaling pathway by luciferase reporter gene assay


Bioorg Med Chem Lett 19: 3825-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.040
BindingDB Entry DOI: 10.7270/Q2DZ08BS
More data for this
Ligand-Target Pair
Proto-oncogene protein Wnt-3


(Homo sapiens (Human))
BDBM50294836
PNG
(4-((1R,2S,6R,7S)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*...)
Show SMILES Oc1c2[C@H]3CC[C@H](C3)c2c(O)n1-c1ccc(cc1)C(=O)Nc1cccc2cccnc12
Show InChI InChI=1/C25H21N3O3/c29-23(27-19-5-1-3-14-4-2-12-26-22(14)19)15-8-10-18(11-9-15)28-24(30)20-16-6-7-17(13-16)21(20)25(28)31/h1-5,8-12,16-17,30-31H,6-7,13H2,(H,27,29)/t16-,17+
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n/an/an/an/a 200n/an/an/an/a



The University of Texas Southwestern Medical Center at Dallas

Curated by ChEMBL


Assay Description
Inhibition of Wnt3 expressed in mouse L-cells assessed as inhibition of Wnt/catanin signaling pathway by luciferase reporter gene assay


Bioorg Med Chem Lett 19: 3825-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.040
BindingDB Entry DOI: 10.7270/Q2DZ08BS
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50294835
PNG
(4-((1S,2S,6R,7R)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*...)
Show SMILES Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1)C(=O)Nc1cccc2cccnc12
Show InChI InChI=1/C25H19N3O3/c29-23(27-19-5-1-3-14-4-2-12-26-22(14)19)15-8-10-18(11-9-15)28-24(30)20-16-6-7-17(13-16)21(20)25(28)31/h1-12,16-17,30-31H,13H2,(H,27,29)/t16-,17+
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n/an/a>8.50E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin) using histone as substrate after 1 hr by luminescence assay


J Med Chem 56: 4320-42 (2013)


Article DOI: 10.1021/jm4000038
BindingDB Entry DOI: 10.7270/Q2QF8V74
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))
BDBM50294835
PNG
(4-((1S,2S,6R,7R)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*...)
Show SMILES Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1)C(=O)Nc1cccc2cccnc12
Show InChI InChI=1/C25H19N3O3/c29-23(27-19-5-1-3-14-4-2-12-26-22(14)19)15-8-10-18(11-9-15)28-24(30)20-16-6-7-17(13-16)21(20)25(28)31/h1-12,16-17,30-31H,13H2,(H,27,29)/t16-,17+
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n/an/a>1.70E+5n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PARP2 (unknown origin) using histone as substrate after 1 hr by luminescence assay


J Med Chem 56: 4320-42 (2013)


Article DOI: 10.1021/jm4000038
BindingDB Entry DOI: 10.7270/Q2QF8V74
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))
BDBM50294835
PNG
(4-((1S,2S,6R,7R)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*...)
Show SMILES Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1)C(=O)Nc1cccc2cccnc12
Show InChI InChI=1/C25H19N3O3/c29-23(27-19-5-1-3-14-4-2-12-26-22(14)19)15-8-10-18(11-9-15)28-24(30)20-16-6-7-17(13-16)21(20)25(28)31/h1-12,16-17,30-31H,13H2,(H,27,29)/t16-,17+
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n/an/a>2.50E+4n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of PARP2 (unknown origin)


J Med Chem 56: 1341-5 (2013)


Article DOI: 10.1021/jm301607v
BindingDB Entry DOI: 10.7270/Q21N82DQ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50425970
PNG
(CHEMBL1257010)
Show SMILES Cc1ccnc2c(NC(=O)c3ccc(cc3)-n3c(O)c4[C@H]5C[C@H](C=C5)c4c3O)cccc12
Show InChI InChI=1/C26H21N3O3/c1-14-11-12-27-23-19(14)3-2-4-20(23)28-24(30)15-7-9-18(10-8-15)29-25(31)21-16-5-6-17(13-16)22(21)26(29)32/h2-12,16-17,31-32H,13H2,1H3,(H,28,30)/t16-,17+
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n/an/a 36n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human TNKS2 (946 to 1162 amino acid residues) after 60 mins by autoparsylation assay


J Med Chem 56: 1341-5 (2013)


Article DOI: 10.1021/jm301607v
BindingDB Entry DOI: 10.7270/Q21N82DQ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM50294835
PNG
(4-((1S,2S,6R,7R)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*...)
Show SMILES Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1)C(=O)Nc1cccc2cccnc12
Show InChI InChI=1/C25H19N3O3/c29-23(27-19-5-1-3-14-4-2-12-26-22(14)19)15-8-10-18(11-9-15)28-24(30)20-16-6-7-17(13-16)21(20)25(28)31/h1-12,16-17,30-31H,13H2,(H,27,29)/t16-,17+
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n/an/a 151n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human TNKS1 (1091 to 1325 amino acid residues) after 60 mins by autoparsylation assay


J Med Chem 56: 1341-5 (2013)


Article DOI: 10.1021/jm301607v
BindingDB Entry DOI: 10.7270/Q21N82DQ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50294835
PNG
(4-((1S,2S,6R,7R)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*...)
Show SMILES Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1)C(=O)Nc1cccc2cccnc12
Show InChI InChI=1/C25H19N3O3/c29-23(27-19-5-1-3-14-4-2-12-26-22(14)19)15-8-10-18(11-9-15)28-24(30)20-16-6-7-17(13-16)21(20)25(28)31/h1-12,16-17,30-31H,13H2,(H,27,29)/t16-,17+
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n/an/a 38n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human TNKS2 (946 to 1162 amino acid residues) after 60 mins by autoparsylation assay


J Med Chem 56: 1341-5 (2013)


Article DOI: 10.1021/jm301607v
BindingDB Entry DOI: 10.7270/Q21N82DQ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM50425970
PNG
(CHEMBL1257010)
Show SMILES Cc1ccnc2c(NC(=O)c3ccc(cc3)-n3c(O)c4[C@H]5C[C@H](C=C5)c4c3O)cccc12
Show InChI InChI=1/C26H21N3O3/c1-14-11-12-27-23-19(14)3-2-4-20(23)28-24(30)15-7-9-18(10-8-15)29-25(31)21-16-5-6-17(13-16)22(21)26(29)32/h2-12,16-17,31-32H,13H2,1H3,(H,28,30)/t16-,17+
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n/an/a 192n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-tagged human TNKS1 (1091 to 1325 amino acid residues) after 60 mins by autoparsylation assay


J Med Chem 56: 1341-5 (2013)


Article DOI: 10.1021/jm301607v
BindingDB Entry DOI: 10.7270/Q21N82DQ
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM50380591
PNG
(CHEMBL2016633)
Show SMILES Oc1c2[C@@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1)C(=O)Nc1cccc2cccnc12
Show InChI InChI=1/C25H19N3O3/c29-23(27-19-5-1-3-14-4-2-12-26-22(14)19)15-8-10-18(11-9-15)28-24(30)20-16-6-7-17(13-16)21(20)25(28)31/h1-12,16-17,30-31H,13H2,(H,27,29)/t16-,17-/s2
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n/an/a 170n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged TNKS1P catalytic domain autoPARsylation measuring nicotinamide concentration after 2 hrs by LC-MS analysis


J Med Chem 55: 1127-36 (2012)


Article DOI: 10.1021/jm2011222
BindingDB Entry DOI: 10.7270/Q2BK1DCV
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50380591
PNG
(CHEMBL2016633)
Show SMILES Oc1c2[C@@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1)C(=O)Nc1cccc2cccnc12
Show InChI InChI=1/C25H19N3O3/c29-23(27-19-5-1-3-14-4-2-12-26-22(14)19)15-8-10-18(11-9-15)28-24(30)20-16-6-7-17(13-16)21(20)25(28)31/h1-12,16-17,30-31H,13H2,(H,27,29)/t16-,17-/s2
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n/an/a 63n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged TNKS2P catalytic domain autoPARsylation measuring nicotinamide concentration after 2 hrs by LC-MS analysis


J Med Chem 55: 1127-36 (2012)


Article DOI: 10.1021/jm2011222
BindingDB Entry DOI: 10.7270/Q2BK1DCV
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Mus musculus)
BDBM50380591
PNG
(CHEMBL2016633)
Show SMILES Oc1c2[C@@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1)C(=O)Nc1cccc2cccnc12
Show InChI InChI=1/C25H19N3O3/c29-23(27-19-5-1-3-14-4-2-12-26-22(14)19)15-8-10-18(11-9-15)28-24(30)20-16-6-7-17(13-16)21(20)25(28)31/h1-12,16-17,30-31H,13H2,(H,27,29)/t16-,17-/s2
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n/an/a 77n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of mouse Wnt3A signaling in human HEK293 cells after 1 day by super top flash luciferase reporter gene assay


J Med Chem 55: 1127-36 (2012)


Article DOI: 10.1021/jm2011222
BindingDB Entry DOI: 10.7270/Q2BK1DCV
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50382969
PNG
(CHEMBL2030485)
Show SMILES Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1)C(=O)Nc1ccccc1
Show InChI InChI=1/C22H18N2O3/c25-20(23-16-4-2-1-3-5-16)13-8-10-17(11-9-13)24-21(26)18-14-6-7-15(12-14)19(18)22(24)27/h1-11,14-15,26-27H,12H2,(H,23,25)/t14-,15+
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n/an/an/an/a>2.50E+4n/an/an/an/a



Abo Akademi University

Curated by ChEMBL


Assay Description
Activity of N-terminus hexaHis-tagged human TNSK2 expressed in Escherichia coli BL21 (DE3) cells using biotinylated NAD+ as substrate after 90 mins b...


J Med Chem 55: 1360-7 (2012)


Article DOI: 10.1021/jm201510p
BindingDB Entry DOI: 10.7270/Q2WS8V8K
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50294835
PNG
(4-((1S,2S,6R,7R)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*...)
Show SMILES Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1)C(=O)Nc1cccc2cccnc12
Show InChI InChI=1/C25H19N3O3/c29-23(27-19-5-1-3-14-4-2-12-26-22(14)19)15-8-10-18(11-9-15)28-24(30)20-16-6-7-17(13-16)21(20)25(28)31/h1-12,16-17,30-31H,13H2,(H,27,29)/t16-,17+
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n/an/a>1.87E+4n/an/an/an/an/an/a



Abo Akademi University

Curated by ChEMBL


Assay Description
Inhibition of PARP1


J Med Chem 55: 1360-7 (2012)


Article DOI: 10.1021/jm201510p
BindingDB Entry DOI: 10.7270/Q2WS8V8K
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM50294835
PNG
(4-((1S,2S,6R,7R)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*...)
Show SMILES Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1)C(=O)Nc1cccc2cccnc12
Show InChI InChI=1/C25H19N3O3/c29-23(27-19-5-1-3-14-4-2-12-26-22(14)19)15-8-10-18(11-9-15)28-24(30)20-16-6-7-17(13-16)21(20)25(28)31/h1-12,16-17,30-31H,13H2,(H,27,29)/t16-,17+
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n/an/a 131n/an/an/an/an/an/a



Abo Akademi University

Curated by ChEMBL


Assay Description
Inhibition of TNKS1


J Med Chem 55: 1360-7 (2012)


Article DOI: 10.1021/jm201510p
BindingDB Entry DOI: 10.7270/Q2WS8V8K
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50294835
PNG
(4-((1S,2S,6R,7R)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*...)
Show SMILES Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1)C(=O)Nc1cccc2cccnc12
Show InChI InChI=1/C25H19N3O3/c29-23(27-19-5-1-3-14-4-2-12-26-22(14)19)15-8-10-18(11-9-15)28-24(30)20-16-6-7-17(13-16)21(20)25(28)31/h1-12,16-17,30-31H,13H2,(H,27,29)/t16-,17+
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n/an/a 56n/an/an/an/an/an/a



Abo Akademi University

Curated by ChEMBL


Assay Description
Inhibition of TNKS2


J Med Chem 55: 1360-7 (2012)


Article DOI: 10.1021/jm201510p
BindingDB Entry DOI: 10.7270/Q2WS8V8K
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50294835
PNG
(4-((1S,2S,6R,7R)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*...)
Show SMILES Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1)C(=O)Nc1cccc2cccnc12
Show InChI InChI=1/C25H19N3O3/c29-23(27-19-5-1-3-14-4-2-12-26-22(14)19)15-8-10-18(11-9-15)28-24(30)20-16-6-7-17(13-16)21(20)25(28)31/h1-12,16-17,30-31H,13H2,(H,27,29)/t16-,17+
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n/an/an/an/a 200n/an/an/an/a



Abo Akademi University

Curated by ChEMBL


Assay Description
Activity of N-terminus hexaHis-tagged human TNSK2 expressed in Escherichia coli BL21 (DE3) cells using biotinylated NAD+ as substrate after 90 mins b...


J Med Chem 55: 1360-7 (2012)


Article DOI: 10.1021/jm201510p
BindingDB Entry DOI: 10.7270/Q2WS8V8K
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50294836
PNG
(4-((1R,2S,6R,7S)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*...)
Show SMILES Oc1c2[C@H]3CC[C@H](C3)c2c(O)n1-c1ccc(cc1)C(=O)Nc1cccc2cccnc12
Show InChI InChI=1/C25H21N3O3/c29-23(27-19-5-1-3-14-4-2-12-26-22(14)19)15-8-10-18(11-9-15)28-24(30)20-16-6-7-17(13-16)21(20)25(28)31/h1-5,8-12,16-17,30-31H,6-7,13H2,(H,27,29)/t16-,17+
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n/an/an/an/a 200n/an/an/an/a



Abo Akademi University

Curated by ChEMBL


Assay Description
Activity of N-terminus hexaHis-tagged human TNSK2 expressed in Escherichia coli BL21 (DE3) cells using biotinylated NAD+ as substrate after 90 mins b...


J Med Chem 55: 1360-7 (2012)


Article DOI: 10.1021/jm201510p
BindingDB Entry DOI: 10.7270/Q2WS8V8K
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50294835
PNG
(4-((1S,2S,6R,7R)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*...)
Show SMILES Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1)C(=O)Nc1cccc2cccnc12
Show InChI InChI=1/C25H19N3O3/c29-23(27-19-5-1-3-14-4-2-12-26-22(14)19)15-8-10-18(11-9-15)28-24(30)20-16-6-7-17(13-16)21(20)25(28)31/h1-12,16-17,30-31H,13H2,(H,27,29)/t16-,17+
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n/an/an/an/a 5.00E+3n/an/an/an/a



Abo Akademi University

Curated by ChEMBL


Assay Description
Activity of N-terminus hexaHis-tagged human TNSK2 expressed in Escherichia coli BL21 (DE3) cells using biotinylated NAD+ as substrate after 90 mins b...


J Med Chem 55: 1360-7 (2012)


Article DOI: 10.1021/jm201510p
BindingDB Entry DOI: 10.7270/Q2WS8V8K
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50294835
PNG
(4-((1S,2S,6R,7R)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*...)
Show SMILES Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1)C(=O)Nc1cccc2cccnc12
Show InChI InChI=1/C25H19N3O3/c29-23(27-19-5-1-3-14-4-2-12-26-22(14)19)15-8-10-18(11-9-15)28-24(30)20-16-6-7-17(13-16)21(20)25(28)31/h1-12,16-17,30-31H,13H2,(H,27,29)/t16-,17+
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n/an/a 1.00E+5n/an/an/an/an/an/a



Abo Akademi University

Curated by ChEMBL


Assay Description
Inhibition of human PARP1 using NAD+ as substrate after 90 mins by fluorescence analysis


J Med Chem 55: 1360-7 (2012)


Article DOI: 10.1021/jm201510p
BindingDB Entry DOI: 10.7270/Q2WS8V8K
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))
BDBM50294835
PNG
(4-((1S,2S,6R,7R)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*...)
Show SMILES Oc1c2[C@H]3C[C@H](C=C3)c2c(O)n1-c1ccc(cc1)C(=O)Nc1cccc2cccnc12
Show InChI InChI=1/C25H19N3O3/c29-23(27-19-5-1-3-14-4-2-12-26-22(14)19)15-8-10-18(11-9-15)28-24(30)20-16-6-7-17(13-16)21(20)25(28)31/h1-12,16-17,30-31H,13H2,(H,27,29)/t16-,17+
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n/an/a 3.50E+4n/an/an/an/an/an/a



Abo Akademi University

Curated by ChEMBL


Assay Description
Inhibition of human PARP2 using NAD+ as substrate after 90 mins by fluorescence analysis


J Med Chem 55: 1360-7 (2012)


Article DOI: 10.1021/jm201510p
BindingDB Entry DOI: 10.7270/Q2WS8V8K
More data for this
Ligand-Target Pair
Proto-oncogene protein Wnt-3


(Homo sapiens (Human))
BDBM50294787
PNG
(4-((1R,2S,6R,7S)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*...)
Show SMILES Cc1ccc2cccnc2c1NC(=O)c1ccc(cc1)-n1c(O)c2[C@H]3C[C@H](C=C3)c2c1O
Show InChI InChI=1/C26H21N3O3/c1-14-4-5-15-3-2-12-27-23(15)22(14)28-24(30)16-8-10-19(11-9-16)29-25(31)20-17-6-7-18(13-17)21(20)26(29)32/h2-12,17-18,31-32H,13H2,1H3,(H,28,30)/t17-,18+
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n/an/an/an/a 800n/an/an/an/a



The University of Texas Southwestern Medical Center at Dallas

Curated by ChEMBL


Assay Description
Inhibition of Wnt3 expressed in mouse L-cells assessed as inhibition of Wnt/catanin signaling pathway by luciferase reporter gene assay


Bioorg Med Chem Lett 19: 3825-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.040
BindingDB Entry DOI: 10.7270/Q2DZ08BS
More data for this
Ligand-Target Pair