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Compile Data Set for Download or QSAR

Found 23 hits with Last Name = 'court' and Initial = 'w'   
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
Protein Wnt-3a


(Homo sapiens (Human))
BDBM50073190
PNG
(CHEMBL3408213 | US11471446, Compound DBA-11)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1cncc(Cl)c1N1CCC2(CCNC2=O)CC1
Show InChI InChI=1S/C23H24ClN5O/c1-28-15-18(12-27-28)16-2-4-17(5-3-16)19-13-25-14-20(24)21(19)29-10-7-23(8-11-29)6-9-26-22(23)30/h2-5,12-15H,6-11H2,1H3,(H,26,30)
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n/an/a 7n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of ligand-induced WNT3A signaling in human PA-1 cells harboring TCF preincubated for 6 hrs before ligand addition measured after 24 hrs by...


J Med Chem 58: 1717-35 (2015)


Article DOI: 10.1021/jm501436m
BindingDB Entry DOI: 10.7270/Q2H70HJ2
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 alpha


(Homo sapiens (Human))
BDBM50073190
PNG
(CHEMBL3408213 | US11471446, Compound DBA-11)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1cncc(Cl)c1N1CCC2(CCNC2=O)CC1
Show InChI InChI=1S/C23H24ClN5O/c1-28-15-18(12-27-28)16-2-4-17(5-3-16)19-13-25-14-20(24)21(19)29-10-7-23(8-11-29)6-9-26-22(23)30/h2-5,12-15H,6-11H2,1H3,(H,26,30)
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n/an/a 462n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of GSK3alpha (unknown origin)


J Med Chem 58: 1717-35 (2015)


Article DOI: 10.1021/jm501436m
BindingDB Entry DOI: 10.7270/Q2H70HJ2
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50073190
PNG
(CHEMBL3408213 | US11471446, Compound DBA-11)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1cncc(Cl)c1N1CCC2(CCNC2=O)CC1
Show InChI InChI=1S/C23H24ClN5O/c1-28-15-18(12-27-28)16-2-4-17(5-3-16)19-13-25-14-20(24)21(19)29-10-7-23(8-11-29)6-9-26-22(23)30/h2-5,12-15H,6-11H2,1H3,(H,26,30)
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n/an/a 690n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta (unknown origin)


J Med Chem 58: 1717-35 (2015)


Article DOI: 10.1021/jm501436m
BindingDB Entry DOI: 10.7270/Q2H70HJ2
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-2


(Homo sapiens (Human))
BDBM50256873
PNG
(CHEMBL475790 | N-(4-chlorophenyl)-7-nitro-1H-indol...)
Show SMILES [O-][N+](=O)c1cccc2cc([nH]c12)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C15H10ClN3O3/c16-10-4-6-11(7-5-10)17-15(20)12-8-9-2-1-3-13(19(21)22)14(9)18-12/h1-8,18H,(H,17,20)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant phospholipase C gamma2 (unknown origin) expressed in baculovirus infected Sf9 cells using [3H]PIP2 by flashplate biochemica...


Bioorg Med Chem 17: 3169-76 (2009)


Article DOI: 10.1016/j.bmc.2009.02.049
BindingDB Entry DOI: 10.7270/Q24Q7TVW
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-2


(Homo sapiens (Human))
BDBM50256870
PNG
(5-(3-chlorophenyl)-3-(5-(isoxazol-3-yl)thiophen-2-...)
Show SMILES Clc1cccc(c1)-c1nc(no1)-c1ccc(s1)-c1ccon1
Show InChI InChI=1S/C15H8ClN3O2S/c16-10-3-1-2-9(8-10)15-17-14(19-21-15)13-5-4-12(22-13)11-6-7-20-18-11/h1-8H
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n/an/a 1.00E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant phospholipase C gamma2 (unknown origin) expressed in baculovirus infected Sf9 cells using [3H]PIP2 by flashplate biochemica...


Bioorg Med Chem 17: 3169-76 (2009)


Article DOI: 10.1016/j.bmc.2009.02.049
BindingDB Entry DOI: 10.7270/Q24Q7TVW
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-2


(Homo sapiens (Human))
BDBM50256872
PNG
(7-nitro-N-phenethyl-1H-indole-2-carboxamide | CHEM...)
Show SMILES [O-][N+](=O)c1cccc2cc([nH]c12)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C17H15N3O3/c21-17(18-10-9-12-5-2-1-3-6-12)14-11-13-7-4-8-15(20(22)23)16(13)19-14/h1-8,11,19H,9-10H2,(H,18,21)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant phospholipase C gamma2 (unknown origin) expressed in baculovirus infected Sf9 cells using [3H]PIP2 by flashplate biochemica...


Bioorg Med Chem 17: 3169-76 (2009)


Article DOI: 10.1016/j.bmc.2009.02.049
BindingDB Entry DOI: 10.7270/Q24Q7TVW
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-2


(Homo sapiens (Human))
BDBM50256871
PNG
(5-(5-nitrothiophen-3-yl)-3-(pyridin-2-yl)-1,2,4-ox...)
Show SMILES [O-][N+](=O)c1cc(cs1)-c1nc(no1)-c1ccccn1
Show InChI InChI=1S/C11H6N4O3S/c16-15(17)9-5-7(6-19-9)11-13-10(14-18-11)8-3-1-2-4-12-8/h1-6H
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n/an/a 2.00E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant phospholipase C gamma2 (unknown origin) expressed in baculovirus infected Sf9 cells using [3H]PIP2 by flashplate biochemica...


Bioorg Med Chem 17: 3169-76 (2009)


Article DOI: 10.1016/j.bmc.2009.02.049
BindingDB Entry DOI: 10.7270/Q24Q7TVW
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-2


(Homo sapiens (Human))
BDBM50256803
PNG
(4-chloro-N-(4-oxo-4H-benzo[d][1,3]thiazin-2-yl)ben...)
Show SMILES Clc1ccc(cc1)C(=O)Nc1nc2ccccc2c(=O)s1
Show InChI InChI=1S/C15H9ClN2O2S/c16-10-7-5-9(6-8-10)13(19)18-15-17-12-4-2-1-3-11(12)14(20)21-15/h1-8H,(H,17,18,19)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant phospholipase C gamma2 (unknown origin) expressed in baculovirus infected Sf9 cells using [3H]PIP2 by flashplate biochemica...


Bioorg Med Chem 17: 3169-76 (2009)


Article DOI: 10.1016/j.bmc.2009.02.049
BindingDB Entry DOI: 10.7270/Q24Q7TVW
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-2


(Homo sapiens (Human))
BDBM50256801
PNG
(4-((5-oxo-2-phenyloxazol-4(5H)-ylidene)methyl)benz...)
Show SMILES O=C1OC(=N\C1=C\c1ccc(cc1)C#N)c1ccccc1 |c:3|
Show InChI InChI=1S/C17H10N2O2/c18-11-13-8-6-12(7-9-13)10-15-17(20)21-16(19-15)14-4-2-1-3-5-14/h1-10H/b15-10+
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n/an/a 2.00E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant phospholipase C gamma2 (unknown origin) expressed in baculovirus infected Sf9 cells using [3H]PIP2 by flashplate biochemica...


Bioorg Med Chem 17: 3169-76 (2009)


Article DOI: 10.1016/j.bmc.2009.02.049
BindingDB Entry DOI: 10.7270/Q24Q7TVW
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50073188
PNG
(CHEMBL3408192)
Show SMILES Clc1cncc(-c2ccc(cc2)N2CCOCC2)c1N1CCC2(CCNC2=O)CC1
Show InChI InChI=1S/C23H27ClN4O2/c24-20-16-25-15-19(17-1-3-18(4-2-17)27-11-13-30-14-12-27)21(20)28-9-6-23(7-10-28)5-8-26-22(23)29/h1-4,15-16H,5-14H2,(H,26,29)
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n/an/a 2.10E+3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


J Med Chem 58: 1717-35 (2015)


Article DOI: 10.1021/jm501436m
BindingDB Entry DOI: 10.7270/Q2H70HJ2
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50073188
PNG
(CHEMBL3408192)
Show SMILES Clc1cncc(-c2ccc(cc2)N2CCOCC2)c1N1CCC2(CCNC2=O)CC1
Show InChI InChI=1S/C23H27ClN4O2/c24-20-16-25-15-19(17-1-3-18(4-2-17)27-11-13-30-14-12-27)21(20)28-9-6-23(7-10-28)5-8-26-22(23)29/h1-4,15-16H,5-14H2,(H,26,29)
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n/an/a 2.90E+3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


J Med Chem 58: 1717-35 (2015)


Article DOI: 10.1021/jm501436m
BindingDB Entry DOI: 10.7270/Q2H70HJ2
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-2


(Homo sapiens (Human))
BDBM50256804
PNG
(3-(2,2-dimethylchroman-6-yl)-1-(4-methoxyphenylsul...)
Show SMILES COc1ccc(cc1)S(=O)(=O)n1ccc(n1)-c1ccc2OC(C)(C)CCc2c1
Show InChI InChI=1S/C21H22N2O4S/c1-21(2)12-10-16-14-15(4-9-20(16)27-21)19-11-13-23(22-19)28(24,25)18-7-5-17(26-3)6-8-18/h4-9,11,13-14H,10,12H2,1-3H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant phospholipase C gamma2 (unknown origin) expressed in baculovirus infected Sf9 cells using [3H]PIP2 by flashplate biochemica...


Bioorg Med Chem 17: 3169-76 (2009)


Article DOI: 10.1016/j.bmc.2009.02.049
BindingDB Entry DOI: 10.7270/Q24Q7TVW
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-2


(Homo sapiens (Human))
BDBM50256875
PNG
(6-(4-methoxyphenyl)-3-phenylthieno[2,3-e][1,2,4]tr...)
Show SMILES COc1ccc(cc1)-c1cc2nnc(nc2s1)-c1ccccc1
Show InChI InChI=1S/C18H13N3OS/c1-22-14-9-7-12(8-10-14)16-11-15-18(23-16)19-17(21-20-15)13-5-3-2-4-6-13/h2-11H,1H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant phospholipase C gamma2 (unknown origin) expressed in baculovirus infected Sf9 cells using [3H]PIP2 by flashplate biochemica...


Bioorg Med Chem 17: 3169-76 (2009)


Article DOI: 10.1016/j.bmc.2009.02.049
BindingDB Entry DOI: 10.7270/Q24Q7TVW
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-2


(Homo sapiens (Human))
BDBM50256874
PNG
(CHEMBL475466 | N-(benzo[d]thiazol-2-yl)-5-methoxy-...)
Show SMILES COc1ccc2[nH]c(cc2c1)C(=O)Nc1nc2ccccc2s1
Show InChI InChI=1S/C17H13N3O2S/c1-22-11-6-7-12-10(8-11)9-14(18-12)16(21)20-17-19-13-4-2-3-5-15(13)23-17/h2-9,18H,1H3,(H,19,20,21)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant phospholipase C gamma2 (unknown origin) expressed in baculovirus infected Sf9 cells using [3H]PIP2 by flashplate biochemica...


Bioorg Med Chem 17: 3169-76 (2009)


Article DOI: 10.1016/j.bmc.2009.02.049
BindingDB Entry DOI: 10.7270/Q24Q7TVW
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50073187
PNG
(CHEMBL1673059)
Show SMILES NC(=O)C1CCN(CC1)c1c(Cl)cncc1Cl
Show InChI InChI=1S/C11H13Cl2N3O/c12-8-5-15-6-9(13)10(8)16-3-1-7(2-4-16)11(14)17/h5-7H,1-4H2,(H2,14,17)
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n/an/a 7.00E+3n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


J Med Chem 58: 1717-35 (2015)


Article DOI: 10.1021/jm501436m
BindingDB Entry DOI: 10.7270/Q2H70HJ2
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-2


(Homo sapiens (Human))
BDBM50256805
PNG
(1-(2-Chloro-benzoyl)-3-(1,1-dioxo-1H-1lambda*6*-be...)
Show SMILES Clc1ccccc1C(=O)NC(=O)Nc1ccc2C=CS(=O)(=O)c2c1 |c:18|
Show InChI InChI=1S/C16H11ClN2O4S/c17-13-4-2-1-3-12(13)15(20)19-16(21)18-11-6-5-10-7-8-24(22,23)14(10)9-11/h1-9H,(H2,18,19,20,21)
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n/an/a 9.50E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant phospholipase C gamma2 (unknown origin) expressed in baculovirus infected Sf9 cells using [3H]PIP2 by flashplate biochemica...


Bioorg Med Chem 17: 3169-76 (2009)


Article DOI: 10.1016/j.bmc.2009.02.049
BindingDB Entry DOI: 10.7270/Q24Q7TVW
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM50073190
PNG
(CHEMBL3408213 | US11471446, Compound DBA-11)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1cncc(Cl)c1N1CCC2(CCNC2=O)CC1
Show InChI InChI=1S/C23H24ClN5O/c1-28-15-18(12-27-28)16-2-4-17(5-3-16)19-13-25-14-20(24)21(19)29-10-7-23(8-11-29)6-9-26-22(23)30/h2-5,12-15H,6-11H2,1H3,(H,26,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged TNKS1 (1023 to 1327 aa) (unknown origin) after 90 mins by HTRF assay


J Med Chem 58: 1717-35 (2015)


Article DOI: 10.1021/jm501436m
BindingDB Entry DOI: 10.7270/Q2H70HJ2
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50073189
PNG
(CHEMBL3408214)
Show SMILES Clc1cncc(-c2ccc3cnccc3c2)c1N1CCC2(CCNC2=O)CC1
Show InChI InChI=1S/C22H21ClN4O/c23-19-14-25-13-18(16-1-2-17-12-24-7-3-15(17)11-16)20(19)27-9-5-22(6-10-27)4-8-26-21(22)28/h1-3,7,11-14H,4-6,8-10H2,(H,26,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human ERG


J Med Chem 58: 1717-35 (2015)


Article DOI: 10.1021/jm501436m
BindingDB Entry DOI: 10.7270/Q2H70HJ2
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50073187
PNG
(CHEMBL1673059)
Show SMILES NC(=O)C1CCN(CC1)c1c(Cl)cncc1Cl
Show InChI InChI=1S/C11H13Cl2N3O/c12-8-5-15-6-9(13)10(8)16-3-1-7(2-4-16)11(14)17/h5-7H,1-4H2,(H2,14,17)
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n/an/a>1.00E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of human ERG


J Med Chem 58: 1717-35 (2015)


Article DOI: 10.1021/jm501436m
BindingDB Entry DOI: 10.7270/Q2H70HJ2
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-2


(Homo sapiens (Human))
BDBM50256819
PNG
(2-(4-nitrophenyl)-4-(thiophen-2-ylmethylene)oxazol...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C1=N\C(=C\c2cccs2)C(=O)O1 |t:10|
Show InChI InChI=1S/C14H8N2O4S/c17-14-12(8-11-2-1-7-21-11)15-13(20-14)9-3-5-10(6-4-9)16(18)19/h1-8H/b12-8+
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MMDB

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KEGG

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n/an/a 1.20E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant phospholipase C gamma2 (unknown origin) expressed in baculovirus infected Sf9 cells using [3H]PIP2 by flashplate biochemica...


Bioorg Med Chem 17: 3169-76 (2009)


Article DOI: 10.1016/j.bmc.2009.02.049
BindingDB Entry DOI: 10.7270/Q24Q7TVW
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50073190
PNG
(CHEMBL3408213 | US11471446, Compound DBA-11)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1cncc(Cl)c1N1CCC2(CCNC2=O)CC1
Show InChI InChI=1S/C23H24ClN5O/c1-28-15-18(12-27-28)16-2-4-17(5-3-16)19-13-25-14-20(24)21(19)29-10-7-23(8-11-29)6-9-26-22(23)30/h2-5,12-15H,6-11H2,1H3,(H,26,30)
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n/an/a 1.50E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged TNKS2 (873 to 1166 aa) (unknown origin) after 90 mins by HTRF assay


J Med Chem 58: 1717-35 (2015)


Article DOI: 10.1021/jm501436m
BindingDB Entry DOI: 10.7270/Q2H70HJ2
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM50073188
PNG
(CHEMBL3408192)
Show SMILES Clc1cncc(-c2ccc(cc2)N2CCOCC2)c1N1CCC2(CCNC2=O)CC1
Show InChI InChI=1S/C23H27ClN4O2/c24-20-16-25-15-19(17-1-3-18(4-2-17)27-11-13-30-14-12-27)21(20)28-9-6-23(7-10-28)5-8-26-22(23)29/h1-4,15-16H,5-14H2,(H,26,29)
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n/an/a 1.60E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged TNKS2 (873 to 1166 aa) (unknown origin) after 90 mins by HTRF assay


J Med Chem 58: 1717-35 (2015)


Article DOI: 10.1021/jm501436m
BindingDB Entry DOI: 10.7270/Q2H70HJ2
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM50073188
PNG
(CHEMBL3408192)
Show SMILES Clc1cncc(-c2ccc(cc2)N2CCOCC2)c1N1CCC2(CCNC2=O)CC1
Show InChI InChI=1S/C23H27ClN4O2/c24-20-16-25-15-19(17-1-3-18(4-2-17)27-11-13-30-14-12-27)21(20)28-9-6-23(7-10-28)5-8-26-22(23)29/h1-4,15-16H,5-14H2,(H,26,29)
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n/an/a 1.90E+4n/an/an/an/an/an/a



The Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged TNKS1 (1023 to 1327 aa) (unknown origin) after 90 mins by HTRF assay


J Med Chem 58: 1717-35 (2015)


Article DOI: 10.1021/jm501436m
BindingDB Entry DOI: 10.7270/Q2H70HJ2
More data for this
Ligand-Target Pair