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PubMed code 23844574

Compile data set for download or QSAR
Found 71 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
Protein Wnt-3a


(Homo sapiens (Human))		BDBM50439791
PNG
(CHEMBL2419706 | US9181266, 5)
Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC(=O)N(CC2CC2)Cc2nc3CCOCc3c(=O)[nH]2)CC1
Show InChI InChI=1S/C27H34N4O5/c1-35-21-6-4-19(5-7-21)26(33)20-8-11-30(12-9-20)16-25(32)31(14-18-2-3-18)15-24-28-23-10-13-36-17-22(23)27(34)29-24/h4-7,18,20H,2-3,8-17H2,1H3,(H,28,29,34)
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n/an/a 3.5n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of WNT3A signaling in HEK293 cells by luciferase reporter gene assay in presence of forskolin

J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))		BDBM50439799
PNG
(CHEMBL2419698 | US9181266, 13)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC(=O)N(Cc2cccs2)Cc2nc3CCOCc3c(=O)[nH]2)CC1
Show InChI InChI=1S/C27H29FN4O4S/c28-20-5-3-18(4-6-20)26(34)19-7-10-31(11-8-19)16-25(33)32(14-21-2-1-13-37-21)15-24-29-23-9-12-36-17-22(23)27(35)30-24/h1-6,13,19H,7-12,14-17H2,(H,29,30,35)
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n/an/a 3.60n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of WNT3A signaling in HEK293 cells by luciferase reporter gene assay in presence of forskolin

J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))		BDBM50439792
PNG
(CHEMBL2419705 | US9181266, 24)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC(=O)N(CC2CC2)Cc2nc3CCOCc3c(=O)[nH]2)CC1
Show InChI InChI=1S/C26H31FN4O4/c27-20-5-3-18(4-6-20)25(33)19-7-10-30(11-8-19)15-24(32)31(13-17-1-2-17)14-23-28-22-9-12-35-16-21(22)26(34)29-23/h3-6,17,19H,1-2,7-16H2,(H,28,29,34)
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n/an/a 17n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of WNT3A signaling in HEK293 cells by luciferase reporter gene assay in presence of forskolin

J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))		BDBM50439796
PNG
(CHEMBL2419701 | US9181266, 26)
Show SMILES CC(C)CN(Cc1nc2CCOCc2c(=O)[nH]1)C(=O)CN1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C26H33FN4O4/c1-17(2)13-31(14-23-28-22-9-12-35-16-21(22)26(34)29-23)24(32)15-30-10-7-19(8-11-30)25(33)18-3-5-20(27)6-4-18/h3-6,17,19H,7-16H2,1-2H3,(H,28,29,34)
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n/an/a 17n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of WNT3A signaling in HEK293 cells by luciferase reporter gene assay in presence of forskolin

J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))		BDBM50439795
PNG
(CHEMBL2419702 | US9181266, 34)
Show SMILES CCCN(Cc1nc2CCOCc2c(=O)[nH]1)C(=O)CN1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C25H31FN4O4/c1-2-10-30(14-22-27-21-9-13-34-16-20(21)25(33)28-22)23(31)15-29-11-7-18(8-12-29)24(32)17-3-5-19(26)6-4-17/h3-6,18H,2,7-16H2,1H3,(H,27,28,33)
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n/an/a 34n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of WNT3A signaling in HEK293 cells by luciferase reporter gene assay in presence of forskolin

J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))		BDBM50439800
PNG
(CHEMBL2419697 | US9181266, 1)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC(=O)NCc2nc3CCOCc3c(=O)[nH]2)CC1
Show InChI InChI=1S/C22H25FN4O4/c23-16-3-1-14(2-4-16)21(29)15-5-8-27(9-6-15)12-20(28)24-11-19-25-18-7-10-31-13-17(18)22(30)26-19/h1-4,15H,5-13H2,(H,24,28)(H,25,26,30)
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n/an/a 40n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of WNT3A signaling in HEK293 cells by luciferase reporter gene assay in presence of forskolin

J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))		BDBM50439797
PNG
(CHEMBL2419700 | US9181266, 22)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC(=O)N(Cc2ccccn2)Cc2nc3CCOCc3c(=O)[nH]2)CC1
Show InChI InChI=1S/C28H30FN5O4/c29-21-6-4-19(5-7-21)27(36)20-8-12-33(13-9-20)17-26(35)34(15-22-3-1-2-11-30-22)16-25-31-24-10-14-38-18-23(24)28(37)32-25/h1-7,11,20H,8-10,12-18H2,(H,31,32,37)
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n/an/a 52n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of WNT3A signaling in HEK293 cells by luciferase reporter gene assay in presence of forskolin

J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))		BDBM50439798
PNG
(CHEMBL2419699 | US9181266, 38)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC(=O)N(Cc2ccccc2)Cc2nc3CCOCc3c(=O)[nH]2)CC1
Show InChI InChI=1S/C29H31FN4O4/c30-23-8-6-21(7-9-23)28(36)22-10-13-33(14-11-22)18-27(35)34(16-20-4-2-1-3-5-20)17-26-31-25-12-15-38-19-24(25)29(37)32-26/h1-9,22H,10-19H2,(H,31,32,37)
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n/an/a 65n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of WNT3A signaling in HEK293 cells by luciferase reporter gene assay in presence of forskolin

J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))		BDBM50439794
PNG
(CHEMBL2419703)
Show SMILES CCN(Cc1nc2CCOCc2c(=O)[nH]1)C(=O)CN1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C24H29FN4O4/c1-2-29(13-21-26-20-9-12-33-15-19(20)24(32)27-21)22(30)14-28-10-7-17(8-11-28)23(31)16-3-5-18(25)6-4-16/h3-6,17H,2,7-15H2,1H3,(H,26,27,32)
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n/an/a 70n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of WNT3A signaling in HEK293 cells by luciferase reporter gene assay in presence of forskolin

J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))		BDBM50318567
PNG
(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc2CCSCc2c(=O)[nH]1
Show InChI InChI=1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20)
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n/an/a 78n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of WNT3A signaling in HEK293 cells by luciferase reporter gene assay in presence of forskolin

J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))		BDBM50318567
PNG
(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc2CCSCc2c(=O)[nH]1
Show InChI InChI=1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20)
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n/an/a 106n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PARP2 (unknown origin) assessed as nicotinamide concentration by LC-MS analysis

J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50439799
PNG
(CHEMBL2419698 | US9181266, 13)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC(=O)N(Cc2cccs2)Cc2nc3CCOCc3c(=O)[nH]2)CC1
Show InChI InChI=1S/C27H29FN4O4S/c28-20-5-3-18(4-6-20)26(34)19-7-10-31(11-8-19)16-25(33)32(14-21-2-1-13-37-21)15-24-29-23-9-12-36-17-22(23)27(35)30-24/h1-6,13,19H,7-12,14-17H2,(H,29,30,35)
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n/an/a 142n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin) assessed as nicotinamide concentration by LC-MS analysis

J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))		BDBM50439793
PNG
(CHEMBL2419704 | US9181266, 30)
Show SMILES CN(Cc1nc2CCOCc2c(=O)[nH]1)C(=O)CN1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C23H27FN4O4/c1-27(12-20-25-19-8-11-32-14-18(19)23(31)26-20)21(29)13-28-9-6-16(7-10-28)22(30)15-2-4-17(24)5-3-15/h2-5,16H,6-14H2,1H3,(H,25,26,31)
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n/an/a 193n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of WNT3A signaling in HEK293 cells by luciferase reporter gene assay in presence of forskolin

J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))		BDBM50439807
PNG
(CHEMBL2419718 | US9227982, 4)
Show SMILES Fc1ccccc1CCC(=O)N(Cc1cccs1)Cc1nc2CCOCc2c(=O)[nH]1
Show InChI InChI=1S/C22H22FN3O3S/c23-18-6-2-1-4-15(18)7-8-21(27)26(12-16-5-3-11-30-16)13-20-24-19-9-10-29-14-17(19)22(28)25-20/h1-6,11H,7-10,12-14H2,(H,24,25,28)
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n/an/a 304n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of WNT3A signaling in HEK293 cells by luciferase reporter gene assay in presence of forskolin

J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))		BDBM50439805
PNG
(CHEMBL2419692 | US9227982, 2)
Show SMILES Fc1ccc(CCC(=O)N(Cc2cccs2)Cc2nc3CCOCc3c(=O)[nH]2)cc1
Show InChI InChI=1S/C22H22FN3O3S/c23-16-6-3-15(4-7-16)5-8-21(27)26(12-17-2-1-11-30-17)13-20-24-19-9-10-29-14-18(19)22(28)25-20/h1-4,6-7,11H,5,8-10,12-14H2,(H,24,25,28)
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n/an/a 483n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of WNT3A signaling in HEK293 cells by luciferase reporter gene assay in presence of forskolin

J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))		BDBM50439803
PNG
(CHEMBL2419694 | US9227982, 7)
Show SMILES Oc1cccc(CCC(=O)N(Cc2cccs2)Cc2nc3CCOCc3c(=O)[nH]2)c1
Show InChI InChI=1S/C22H23N3O4S/c26-16-4-1-3-15(11-16)6-7-21(27)25(12-17-5-2-10-30-17)13-20-23-19-8-9-29-14-18(19)22(28)24-20/h1-5,10-11,26H,6-9,12-14H2,(H,23,24,28)
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n/an/a 812n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of WNT3A signaling in HEK293 cells by luciferase reporter gene assay in presence of forskolin

J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))		BDBM50439812
PNG
(CHEMBL2419711)
Show SMILES O=C(CCc1ccccc1)N(Cc1cccs1)Cc1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C23H21N3O2S/c27-22(13-12-17-7-2-1-3-8-17)26(15-18-9-6-14-29-18)16-21-24-20-11-5-4-10-19(20)23(28)25-21/h1-11,14H,12-13,15-16H2,(H,24,25,28)
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n/an/a 937n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of WNT3A signaling in HEK293 cells by luciferase reporter gene assay in presence of forskolin

J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))		BDBM50439813
PNG
(CHEMBL2419710)
Show SMILES CC(C)(O)c1ccc(cc1)-c1nc2CCOCc2c(=O)[nH]1
Show InChI InChI=1S/C16H18N2O3/c1-16(2,20)11-5-3-10(4-6-11)14-17-13-7-8-21-9-12(13)15(19)18-14/h3-6,20H,7-9H2,1-2H3,(H,17,18,19)
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n/an/a 1.03E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of WNT3A signaling in HEK293 cells by luciferase reporter gene assay in presence of forskolin

J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))		BDBM50439801
PNG
(CHEMBL2419696)
Show SMILES COc1cc(Cl)c(cc1C(=O)NCCN1CCC(CC1)C(=O)c1ccc(F)cc1)C#N
Show InChI InChI=1S/C23H23ClFN3O3/c1-31-21-13-20(24)17(14-26)12-19(21)23(30)27-8-11-28-9-6-16(7-10-28)22(29)15-2-4-18(25)5-3-15/h2-5,12-13,16H,6-11H2,1H3,(H,27,30)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of WNT3A signaling in HEK293 cells by luciferase reporter gene assay in presence of forskolin

J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))		BDBM50439816
PNG
(CHEMBL2419707)
Show SMILES FC(F)(F)Oc1ccc(cc1)-c1nc2CCOCc2c(=O)[nH]1
Show InChI InChI=1S/C14H11F3N2O3/c15-14(16,17)22-9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20)
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n/an/a 1.22E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of WNT3A signaling in HEK293 cells by luciferase reporter gene assay in presence of forskolin

J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))		BDBM50439802
PNG
(CHEMBL2419695 | US9227982, 8)
Show SMILES Oc1ccc(CCC(=O)N(Cc2cccs2)Cc2nc3CCOCc3c(=O)[nH]2)cc1
Show InChI InChI=1S/C22H23N3O4S/c26-16-6-3-15(4-7-16)5-8-21(27)25(12-17-2-1-11-30-17)13-20-23-19-9-10-29-14-18(19)22(28)24-20/h1-4,6-7,11,26H,5,8-10,12-14H2,(H,23,24,28)
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n/an/a 1.35E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of WNT3A signaling in HEK293 cells by luciferase reporter gene assay in presence of forskolin

J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50318567
PNG
(2-(4-(Trifluoromethyl)phenyl)-7,8-dihydro-5H-thiop...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc2CCSCc2c(=O)[nH]1
Show InChI InChI=1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20)
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n/an/a 1.37E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin) assessed as nicotinamide concentration by LC-MS analysis

J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Protein Wnt-3a


(Homo sapiens (Human))		BDBM50439826
PNG
(CHEMBL2419891)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc2CCCCc2c(=O)[nH]1
Show InChI InChI=1S/C15H13F3N2O/c16-15(17,18)10-7-5-9(6-8-10)13-19-12-4-2-1-3-11(12)14(21)20-13/h5-8H,1-4H2,(H,19,20,21)
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n/an/a 1.41E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of WNT3A signaling in HEK293 cells by luciferase reporter gene assay in presence of forskolin

J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))		BDBM50439825
PNG
(CHEMBL2419892)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C15H9F3N2O/c16-15(17,18)10-7-5-9(6-8-10)13-19-12-4-2-1-3-11(12)14(21)20-13/h1-8H,(H,19,20,21)
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n/an/a 1.67E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of WNT3A signaling in HEK293 cells by luciferase reporter gene assay in presence of forskolin

J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))		BDBM50439828
PNG
(CHEMBL2419889)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc2CCCSc2c(=O)[nH]1
Show InChI InChI=1S/C14H11F3N2OS/c15-14(16,17)9-5-3-8(4-6-9)12-18-10-2-1-7-21-11(10)13(20)19-12/h3-6H,1-2,7H2,(H,18,19,20)
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n/an/a 1.72E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of WNT3A signaling in HEK293 cells by luciferase reporter gene assay in presence of forskolin

J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))		BDBM50439811
PNG
(CHEMBL2419712 | US9227982, 1)
Show SMILES O=C(CCc1ccccc1)N(Cc1cccs1)Cc1nc2CCOCc2c(=O)[nH]1
Show InChI InChI=1S/C22H23N3O3S/c26-21(9-8-16-5-2-1-3-6-16)25(13-17-7-4-12-29-17)14-20-23-19-10-11-28-15-18(19)22(27)24-20/h1-7,12H,8-11,13-15H2,(H,23,24,27)
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n/an/a 1.92E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of WNT3A signaling in HEK293 cells by luciferase reporter gene assay in presence of forskolin

J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))		BDBM50439824
PNG
(CHEMBL2419893)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc2CCOCc2c(=O)[nH]1
Show InChI InChI=1S/C14H11F3N2O2/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20)
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n/an/a 2.65E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of WNT3A signaling in HEK293 cells by luciferase reporter gene assay in presence of forskolin

J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))		BDBM50439815
PNG
(CHEMBL2419708)
Show SMILES COC(=O)c1ccc(cc1)-c1nc2CCOCc2c(=O)[nH]1
Show InChI InChI=1S/C15H14N2O4/c1-20-15(19)10-4-2-9(3-5-10)13-16-12-6-7-21-8-11(12)14(18)17-13/h2-5H,6-8H2,1H3,(H,16,17,18)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of WNT3A signaling in HEK293 cells by luciferase reporter gene assay in presence of forskolin

J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))		BDBM50439800
PNG
(CHEMBL2419697 | US9181266, 1)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC(=O)NCc2nc3CCOCc3c(=O)[nH]2)CC1
Show InChI InChI=1S/C22H25FN4O4/c23-16-3-1-14(2-4-16)21(29)15-5-8-27(9-6-15)12-20(28)24-11-19-25-18-7-10-31-13-17(18)22(30)26-19/h1-4,15H,5-13H2,(H,24,28)(H,25,26,30)
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n/an/a 3.15E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PARP2 (unknown origin) assessed as nicotinamide concentration by LC-MS analysis

J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))		BDBM50439804
PNG
(CHEMBL2419693 | US9227982, 6)
Show SMILES Oc1ccccc1CCC(=O)N(Cc1cccs1)Cc1nc2CCOCc2c(=O)[nH]1
Show InChI InChI=1S/C22H23N3O4S/c26-19-6-2-1-4-15(19)7-8-21(27)25(12-16-5-3-11-30-16)13-20-23-18-9-10-29-14-17(18)22(28)24-20/h1-6,11,26H,7-10,12-14H2,(H,23,24,28)
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n/an/a 3.77E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of WNT3A signaling in HEK293 cells by luciferase reporter gene assay in presence of forskolin

J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))		BDBM50439828
PNG
(CHEMBL2419889)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc2CCCSc2c(=O)[nH]1
Show InChI InChI=1S/C14H11F3N2OS/c15-14(16,17)9-5-3-8(4-6-9)12-18-10-2-1-7-21-11(10)13(20)19-12/h3-6H,1-2,7H2,(H,18,19,20)
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n/an/a 4.08E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PARP2 (unknown origin) assessed as nicotinamide concentration by LC-MS analysis

J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))		BDBM50439819
PNG
(CHEMBL2419898)
Show SMILES Brc1ccc(cc1)-c1nc2CCOCc2c(=O)[nH]1
Show InChI InChI=1S/C13H11BrN2O2/c14-9-3-1-8(2-4-9)12-15-11-5-6-18-7-10(11)13(17)16-12/h1-4H,5-7H2,(H,15,16,17)
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n/an/a 4.14E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of WNT3A signaling in HEK293 cells by luciferase reporter gene assay in presence of forskolin

J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))		BDBM50439818
PNG
(CHEMBL2419899)
Show SMILES CN(C)c1ccc(cc1)-c1nc2CCOCc2c(=O)[nH]1
Show InChI InChI=1S/C15H17N3O2/c1-18(2)11-5-3-10(4-6-11)14-16-13-7-8-20-9-12(13)15(19)17-14/h3-6H,7-9H2,1-2H3,(H,16,17,19)
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n/an/a 4.21E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of WNT3A signaling in HEK293 cells by luciferase reporter gene assay in presence of forskolin

J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))		BDBM50439820
PNG
(CHEMBL2419897)
Show SMILES Clc1ccc(cc1)-c1nc2CCOCc2c(=O)[nH]1
Show InChI InChI=1S/C13H11ClN2O2/c14-9-3-1-8(2-4-9)12-15-11-5-6-18-7-10(11)13(17)16-12/h1-4H,5-7H2,(H,15,16,17)
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n/an/a 4.43E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of WNT3A signaling in HEK293 cells by luciferase reporter gene assay in presence of forskolin

J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))		BDBM50439821
PNG
(CHEMBL2419896)
Show SMILES Cc1ccc(cc1)-c1nc2CCOCc2c(=O)[nH]1
Show InChI InChI=1S/C14H14N2O2/c1-9-2-4-10(5-3-9)13-15-12-6-7-18-8-11(12)14(17)16-13/h2-5H,6-8H2,1H3,(H,15,16,17)
PDB

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n/an/a 4.63E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of WNT3A signaling in HEK293 cells by luciferase reporter gene assay in presence of forskolin

J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))		BDBM50439827
PNG
(CHEMBL2419890)
Show SMILES FC(F)(F)c1ccc(cc1)C1=NC2CSCC2C(=O)N1 |t:11|
Show InChI InChI=1S/C13H11F3N2OS/c14-13(15,16)8-3-1-7(2-4-8)11-17-10-6-20-5-9(10)12(19)18-11/h1-4,9-10H,5-6H2,(H,17,18,19)
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n/an/a 5.04E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of WNT3A signaling in HEK293 cells by luciferase reporter gene assay in presence of forskolin

J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))		BDBM50439817
PNG
(CHEMBL2419900)
Show SMILES COc1ccc(cc1)-c1nc2CCOCc2c(=O)[nH]1
Show InChI InChI=1S/C14H14N2O3/c1-18-10-4-2-9(3-5-10)13-15-12-6-7-19-8-11(12)14(17)16-13/h2-5H,6-8H2,1H3,(H,15,16,17)
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n/an/a 5.05E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of WNT3A signaling in HEK293 cells by luciferase reporter gene assay in presence of forskolin

J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))		BDBM50439814
PNG
(CHEMBL2419709)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc2CCOCc2c(=O)[nH]1
Show InChI InChI=1S/C14H14N2O4S/c1-21(18,19)10-4-2-9(3-5-10)13-15-12-6-7-20-8-11(12)14(17)16-13/h2-5H,6-8H2,1H3,(H,15,16,17)
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n/an/a 6.29E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of WNT3A signaling in HEK293 cells by luciferase reporter gene assay in presence of forskolin

J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))		BDBM50439806
PNG
(CHEMBL2419691 | US9227982, 5)
Show SMILES Fc1cccc(CCC(=O)N(Cc2cccs2)Cc2nc3CCOCc3c(=O)[nH]2)c1
Show InChI InChI=1S/C22H22FN3O3S/c23-16-4-1-3-15(11-16)6-7-21(27)26(12-17-5-2-10-30-17)13-20-24-19-8-9-29-14-18(19)22(28)25-20/h1-5,10-11H,6-9,12-14H2,(H,24,25,28)
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n/an/a 6.61E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of WNT3A signaling in HEK293 cells by luciferase reporter gene assay in presence of forskolin

J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))		BDBM50439822
PNG
(CHEMBL2419895)
Show SMILES O=c1[nH]c(nc2CCOCc12)-c1ccsc1
Show InChI InChI=1S/C11H10N2O2S/c14-11-8-5-15-3-1-9(8)12-10(13-11)7-2-4-16-6-7/h2,4,6H,1,3,5H2,(H,12,13,14)
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n/an/a 8.09E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of WNT3A signaling in HEK293 cells by luciferase reporter gene assay in presence of forskolin

J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))		BDBM50439809
PNG
(CHEMBL2417574 | US9227982, 11)
Show SMILES O=C(CCc1ccncc1)N(Cc1cccs1)Cc1nc2CCOCc2c(=O)[nH]1
Show InChI InChI=1S/C21H22N4O3S/c26-20(4-3-15-5-8-22-9-6-15)25(12-16-2-1-11-29-16)13-19-23-18-7-10-28-14-17(18)21(27)24-19/h1-2,5-6,8-9,11H,3-4,7,10,12-14H2,(H,23,24,27)
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n/an/a 8.25E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of WNT3A signaling in HEK293 cells by luciferase reporter gene assay in presence of forskolin

J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))		BDBM50439810
PNG
(CHEMBL2419716 | US9227982, 18)
Show SMILES O=C(CCc1ccccc1)N(Cc1ccsc1)Cc1nc2CCOCc2c(=O)[nH]1
Show InChI InChI=1S/C22H23N3O3S/c26-21(7-6-16-4-2-1-3-5-16)25(12-17-9-11-29-15-17)13-20-23-19-8-10-28-14-18(19)22(27)24-20/h1-5,9,11,15H,6-8,10,12-14H2,(H,23,24,27)
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n/an/a 8.54E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of WNT3A signaling in HEK293 cells by luciferase reporter gene assay in presence of forskolin

J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50439800
PNG
(CHEMBL2419697 | US9181266, 1)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC(=O)NCc2nc3CCOCc3c(=O)[nH]2)CC1
Show InChI InChI=1S/C22H25FN4O4/c23-16-3-1-14(2-4-16)21(29)15-5-8-27(9-6-15)12-20(28)24-11-19-25-18-7-10-31-13-17(18)22(30)26-19/h1-4,15H,5-13H2,(H,24,28)(H,25,26,30)
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n/an/a 1.04E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin) assessed as nicotinamide concentration by LC-MS analysis

J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))		BDBM50439810
PNG
(CHEMBL2419716 | US9227982, 18)
Show SMILES O=C(CCc1ccccc1)N(Cc1ccsc1)Cc1nc2CCOCc2c(=O)[nH]1
Show InChI InChI=1S/C22H23N3O3S/c26-21(7-6-16-4-2-1-3-5-16)25(12-17-9-11-29-15-17)13-20-23-19-8-10-28-14-18(19)22(27)24-20/h1-5,9,11,15H,6-8,10,12-14H2,(H,23,24,27)
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n/an/a 1.04E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PARP2 (unknown origin) assessed as nicotinamide concentration by LC-MS analysis

J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50439828
PNG
(CHEMBL2419889)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc2CCCSc2c(=O)[nH]1
Show InChI InChI=1S/C14H11F3N2OS/c15-14(16,17)9-5-3-8(4-6-9)12-18-10-2-1-7-21-11(10)13(20)19-12/h3-6H,1-2,7H2,(H,18,19,20)
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n/an/a 1.05E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin) assessed as nicotinamide concentration by LC-MS analysis

J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50439826
PNG
(CHEMBL2419891)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc2CCCCc2c(=O)[nH]1
Show InChI InChI=1S/C15H13F3N2O/c16-15(17,18)10-7-5-9(6-8-10)13-19-12-4-2-1-3-11(12)14(21)20-13/h5-8H,1-4H2,(H,19,20,21)
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n/an/a 1.12E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin) assessed as nicotinamide concentration by LC-MS analysis

J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))		BDBM50439823
PNG
(CHEMBL2419894)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc2COCCc2c(=O)[nH]1
Show InChI InChI=1S/C14H11F3N2O2/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-7-21-6-5-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20)
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n/an/a 1.81E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of WNT3A signaling in HEK293 cells by luciferase reporter gene assay in presence of forskolin

J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50439812
PNG
(CHEMBL2419711)
Show SMILES O=C(CCc1ccccc1)N(Cc1cccs1)Cc1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C23H21N3O2S/c27-22(13-12-17-7-2-1-3-8-17)26(15-18-9-6-14-29-18)16-21-24-20-11-5-4-10-19(20)23(28)25-21/h1-11,14H,12-13,15-16H2,(H,24,25,28)
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n/an/a 1.82E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin) assessed as nicotinamide concentration by LC-MS analysis

J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))		BDBM50439794
PNG
(CHEMBL2419703)
Show SMILES CCN(Cc1nc2CCOCc2c(=O)[nH]1)C(=O)CN1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C24H29FN4O4/c1-2-29(13-21-26-20-9-12-33-15-19(20)24(32)27-21)22(30)14-28-10-7-17(8-11-28)23(31)16-3-5-18(25)6-4-16/h3-6,17H,2,7-15H2,1H3,(H,26,27,32)
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n/an/a>1.90E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PARP2 (unknown origin) assessed as nicotinamide concentration by LC-MS analysis

J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50439795
PNG
(CHEMBL2419702 | US9181266, 34)
Show SMILES CCCN(Cc1nc2CCOCc2c(=O)[nH]1)C(=O)CN1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C25H31FN4O4/c1-2-10-30(14-22-27-21-9-13-34-16-20(21)25(33)28-22)23(31)15-29-11-7-18(8-12-29)24(32)17-3-5-19(26)6-4-17/h3-6,18H,2,7-16H2,1H3,(H,27,28,33)
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n/an/a>1.90E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin) assessed as nicotinamide concentration by LC-MS analysis

J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))		BDBM50439796
PNG
(CHEMBL2419701 | US9181266, 26)
Show SMILES CC(C)CN(Cc1nc2CCOCc2c(=O)[nH]1)C(=O)CN1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C26H33FN4O4/c1-17(2)13-31(14-23-28-22-9-12-35-16-21(22)26(34)29-23)24(32)15-30-10-7-19(8-11-30)25(33)18-3-5-20(27)6-4-18/h3-6,17,19H,7-16H2,1-2H3,(H,28,29,34)
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n/an/a>1.90E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PARP2 (unknown origin) assessed as nicotinamide concentration by LC-MS analysis

J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))		BDBM50439798
PNG
(CHEMBL2419699 | US9181266, 38)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC(=O)N(Cc2ccccc2)Cc2nc3CCOCc3c(=O)[nH]2)CC1
Show InChI InChI=1S/C29H31FN4O4/c30-23-8-6-21(7-9-23)28(36)22-10-13-33(14-11-22)18-27(35)34(16-20-4-2-1-3-5-20)17-26-31-25-12-15-38-19-24(25)29(37)32-26/h1-9,22H,10-19H2,(H,31,32,37)
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n/an/a>1.90E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PARP2 (unknown origin) assessed as nicotinamide concentration by LC-MS analysis

J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))		BDBM50439803
PNG
(CHEMBL2419694 | US9227982, 7)
Show SMILES Oc1cccc(CCC(=O)N(Cc2cccs2)Cc2nc3CCOCc3c(=O)[nH]2)c1
Show InChI InChI=1S/C22H23N3O4S/c26-16-4-1-3-15(11-16)6-7-21(27)25(12-17-5-2-10-30-17)13-20-23-19-8-9-29-14-18(19)22(28)24-20/h1-5,10-11,26H,6-9,12-14H2,(H,23,24,28)
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n/an/a>1.90E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PARP2 (unknown origin) assessed as nicotinamide concentration by LC-MS analysis

J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))		BDBM50439797
PNG
(CHEMBL2419700 | US9181266, 22)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC(=O)N(Cc2ccccn2)Cc2nc3CCOCc3c(=O)[nH]2)CC1
Show InChI InChI=1S/C28H30FN5O4/c29-21-6-4-19(5-7-21)27(36)20-8-12-33(13-9-20)17-26(35)34(15-22-3-1-2-11-30-22)16-25-31-24-10-14-38-18-23(24)28(37)32-25/h1-7,11,20H,8-10,12-18H2,(H,31,32,37)
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n/an/a>1.90E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PARP2 (unknown origin) assessed as nicotinamide concentration by LC-MS analysis

J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50439801
PNG
(CHEMBL2419696)
Show SMILES COc1cc(Cl)c(cc1C(=O)NCCN1CCC(CC1)C(=O)c1ccc(F)cc1)C#N
Show InChI InChI=1S/C23H23ClFN3O3/c1-31-21-13-20(24)17(14-26)12-19(21)23(30)27-8-11-28-9-6-16(7-10-28)22(29)15-2-4-18(25)5-3-15/h2-5,12-13,16H,6-11H2,1H3,(H,27,30)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin) assessed as nicotinamide concentration by LC-MS analysis

J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50439824
PNG
(CHEMBL2419893)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc2CCOCc2c(=O)[nH]1
Show InChI InChI=1S/C14H11F3N2O2/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20)
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n/an/a>1.90E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin) assessed as nicotinamide concentration by LC-MS analysis

J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50439794
PNG
(CHEMBL2419703)
Show SMILES CCN(Cc1nc2CCOCc2c(=O)[nH]1)C(=O)CN1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C24H29FN4O4/c1-2-29(13-21-26-20-9-12-33-15-19(20)24(32)27-21)22(30)14-28-10-7-17(8-11-28)23(31)16-3-5-18(25)6-4-16/h3-6,17H,2,7-15H2,1H3,(H,26,27,32)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin) assessed as nicotinamide concentration by LC-MS analysis

J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50439796
PNG
(CHEMBL2419701 | US9181266, 26)
Show SMILES CC(C)CN(Cc1nc2CCOCc2c(=O)[nH]1)C(=O)CN1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C26H33FN4O4/c1-17(2)13-31(14-23-28-22-9-12-35-16-21(22)26(34)29-23)24(32)15-30-10-7-19(8-11-30)25(33)18-3-5-20(27)6-4-18/h3-6,17,19H,7-16H2,1-2H3,(H,28,29,34)
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n/an/a>1.90E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin) assessed as nicotinamide concentration by LC-MS analysis

J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50439791
PNG
(CHEMBL2419706 | US9181266, 5)
Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC(=O)N(CC2CC2)Cc2nc3CCOCc3c(=O)[nH]2)CC1
Show InChI InChI=1S/C27H34N4O5/c1-35-21-6-4-19(5-7-21)26(33)20-8-11-30(12-9-20)16-25(32)31(14-18-2-3-18)15-24-28-23-10-13-36-17-22(23)27(34)29-24/h4-7,18,20H,2-3,8-17H2,1H3,(H,28,29,34)
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Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin) assessed as nicotinamide concentration by LC-MS analysis

J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50439798
PNG
(CHEMBL2419699 | US9181266, 38)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC(=O)N(Cc2ccccc2)Cc2nc3CCOCc3c(=O)[nH]2)CC1
Show InChI InChI=1S/C29H31FN4O4/c30-23-8-6-21(7-9-23)28(36)22-10-13-33(14-11-22)18-27(35)34(16-20-4-2-1-3-5-20)17-26-31-25-12-15-38-19-24(25)29(37)32-26/h1-9,22H,10-19H2,(H,31,32,37)
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n/an/a>1.90E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin) assessed as nicotinamide concentration by LC-MS analysis

J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))		BDBM50439795
PNG
(CHEMBL2419702 | US9181266, 34)
Show SMILES CCCN(Cc1nc2CCOCc2c(=O)[nH]1)C(=O)CN1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C25H31FN4O4/c1-2-10-30(14-22-27-21-9-13-34-16-20(21)25(33)28-22)23(31)15-29-11-7-18(8-12-29)24(32)17-3-5-19(26)6-4-17/h3-6,18H,2,7-16H2,1H3,(H,27,28,33)
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n/an/a>1.90E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PARP2 (unknown origin) assessed as nicotinamide concentration by LC-MS analysis

J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))		BDBM50439799
PNG
(CHEMBL2419698 | US9181266, 13)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC(=O)N(Cc2cccs2)Cc2nc3CCOCc3c(=O)[nH]2)CC1
Show InChI InChI=1S/C27H29FN4O4S/c28-20-5-3-18(4-6-20)26(34)19-7-10-31(11-8-19)16-25(33)32(14-21-2-1-13-37-21)15-24-29-23-9-12-36-17-22(23)27(35)30-24/h1-6,13,19H,7-12,14-17H2,(H,29,30,35)
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n/an/a>1.90E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PARP2 (unknown origin) assessed as nicotinamide concentration by LC-MS analysis

J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50439797
PNG
(CHEMBL2419700 | US9181266, 22)
Show SMILES Fc1ccc(cc1)C(=O)C1CCN(CC(=O)N(Cc2ccccn2)Cc2nc3CCOCc3c(=O)[nH]2)CC1
Show InChI InChI=1S/C28H30FN5O4/c29-21-6-4-19(5-7-21)27(36)20-8-12-33(13-9-20)17-26(35)34(15-22-3-1-2-11-30-22)16-25-31-24-10-14-38-18-23(24)28(37)32-25/h1-7,11,20H,8-10,12-18H2,(H,31,32,37)
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n/an/a>1.90E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin) assessed as nicotinamide concentration by LC-MS analysis

J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50439827
PNG
(CHEMBL2419890)
Show SMILES FC(F)(F)c1ccc(cc1)C1=NC2CSCC2C(=O)N1 |t:11|
Show InChI InChI=1S/C13H11F3N2OS/c14-13(15,16)8-3-1-7(2-4-8)11-17-10-6-20-5-9(10)12(19)18-11/h1-4,9-10H,5-6H2,(H,17,18,19)
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n/an/a>1.90E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin) assessed as nicotinamide concentration by LC-MS analysis

J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))		BDBM50439791
PNG
(CHEMBL2419706 | US9181266, 5)
Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC(=O)N(CC2CC2)Cc2nc3CCOCc3c(=O)[nH]2)CC1
Show InChI InChI=1S/C27H34N4O5/c1-35-21-6-4-19(5-7-21)26(33)20-8-11-30(12-9-20)16-25(32)31(14-18-2-3-18)15-24-28-23-10-13-36-17-22(23)27(34)29-24/h4-7,18,20H,2-3,8-17H2,1H3,(H,28,29,34)
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n/an/a 3.20E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PARP2 (unknown origin) assessed as nicotinamide concentration by LC-MS analysis

J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))		BDBM50439808
PNG
(CHEMBL2419717 | US9227982, 12)
Show SMILES O=C(CCc1cccnc1)N(Cc1cccs1)Cc1nc2CCOCc2c(=O)[nH]1
Show InChI InChI=1S/C21H22N4O3S/c26-20(6-5-15-3-1-8-22-11-15)25(12-16-4-2-10-29-16)13-19-23-18-7-9-28-14-17(18)21(27)24-19/h1-4,8,10-11H,5-7,9,12-14H2,(H,23,24,27)
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n/an/a 4.10E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of WNT3A signaling in HEK293 cells by luciferase reporter gene assay in presence of forskolin

J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))		BDBM50439830
PNG
(CHEMBL2419714)
Show SMILES O=C(CCc1ccccc1)NCc1nc2CCOCc2c(=O)[nH]1
Show InChI InChI=1S/C17H19N3O3/c21-16(7-6-12-4-2-1-3-5-12)18-10-15-19-14-8-9-23-11-13(14)17(22)20-15/h1-5H,6-11H2,(H,18,21)(H,19,20,22)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of WNT3A signaling in HEK293 cells by luciferase reporter gene assay in presence of forskolin

J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))		BDBM50439829
PNG
(CHEMBL2419715)
Show SMILES O=c1[nH]c(CNCc2cccs2)nc2CCOCc12
Show InChI InChI=1S/C13H15N3O2S/c17-13-10-8-18-4-3-11(10)15-12(16-13)7-14-6-9-2-1-5-19-9/h1-2,5,14H,3-4,6-8H2,(H,15,16,17)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of WNT3A signaling in HEK293 cells by luciferase reporter gene assay in presence of forskolin

J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
Protein Wnt-3a


(Homo sapiens (Human))		BDBM50439831
PNG
(CHEMBL2419713 | US9227982, 15)
Show SMILES CCN(Cc1nc2CCOCc2c(=O)[nH]1)C(=O)CCc1ccccc1
Show InChI InChI=1S/C19H23N3O3/c1-2-22(18(23)9-8-14-6-4-3-5-7-14)12-17-20-16-10-11-25-13-15(16)19(24)21-17/h3-7H,2,8-13H2,1H3,(H,20,21,24)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of WNT3A signaling in HEK293 cells by luciferase reporter gene assay in presence of forskolin

J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 2


(Homo sapiens (Human))		BDBM50439811
PNG
(CHEMBL2419712 | US9227982, 1)
Show SMILES O=C(CCc1ccccc1)N(Cc1cccs1)Cc1nc2CCOCc2c(=O)[nH]1
Show InChI InChI=1S/C22H23N3O3S/c26-21(9-8-16-5-2-1-3-6-16)25(13-17-7-4-12-29-17)14-20-23-19-10-11-28-15-18(19)22(27)24-20/h1-7,12H,8-11,13-15H2,(H,23,24,27)
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n/an/a 5.64E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PARP2 (unknown origin) assessed as nicotinamide concentration by LC-MS analysis

J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM50439810
PNG
(CHEMBL2419716 | US9227982, 18)
Show SMILES O=C(CCc1ccccc1)N(Cc1ccsc1)Cc1nc2CCOCc2c(=O)[nH]1
Show InChI InChI=1S/C22H23N3O3S/c26-21(7-6-16-4-2-1-3-5-16)25(12-17-9-11-29-15-17)13-20-23-19-8-10-28-14-18(19)22(27)24-20/h1-5,9,11,15H,6-8,10,12-14H2,(H,23,24,27)
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n/an/a 7.12E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin) assessed as nicotinamide concentration by LC-MS analysis

J Med Chem 56: 6495-511 (2013)


Article DOI: 10.1021/jm400807n
BindingDB Entry DOI: 10.7270/Q24Q7WFB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%