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38 similar compounds to monomer 191195

Compile data set for download or QSAR
Wt: 494.5
BDBM50439791
Purchase
Wt: 478.5
BDBM185825
Wt: 478.5
BDBM185826
Wt: 466.5
BDBM185794
Wt: 466.5
BDBM185795
Wt: 466.5
BDBM185796
Wt: 478.5
BDBM185807
Wt: 480.5
BDBM185808
Wt: 494.5
BDBM191193
Wt: 506.5
BDBM191194
Wt: 436.5
BDBM191196
Wt: 454.5
BDBM191197
Wt: 440.4
BDBM191198
Wt: 474.5
BDBM191199
Wt: 508.9
BDBM191200
Displayed 1 to 15 (of 38 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 43 hits for monomerid = 50439791,185825,185826,185794,185795,185796,185807,185808,191193,191194,191196,191197,191198,191199,191200   
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
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM185794
PNG
(US9163003, 2)
Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC1)C1CCN(Cc2nc3CCOCc3c(=O)[nH]2)C1=O
Show InChI InChI=1S/C25H30N4O5/c1-33-18-4-2-16(3-5-18)23(30)17-6-10-28(11-7-17)21-8-12-29(25(21)32)14-22-26-20-9-13-34-15-19(20)24(31)27-22/h2-5,17,21H,6-15H2,1H3,(H,26,27,31)
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US Patent
n/an/a 15n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The human tankyrase 1 PARP catalytic domain, TNKS1P, was cloned into a pDONR221 vector using the Invitrogen Gateway Technology. This entry clone was ...


US Patent US9163003 (2015)


BindingDB Entry DOI: 10.7270/Q2QN65J6
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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Article
PubMed
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
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM185796
PNG
(US9163003, 4)
Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC1)[C@@H]1CCN(Cc2nc3CCOCc3c(=O)[nH]2)C1=O
Show InChI InChI=1S/C25H30N4O5/c1-33-18-4-2-16(3-5-18)23(30)17-6-10-28(11-7-17)21-8-12-29(25(21)32)14-22-26-20-9-13-34-15-19(20)24(31)27-22/h2-5,17,21H,6-15H2,1H3,(H,26,27,31)/t21-/m1/s1
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US Patent
n/an/a 600n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The human tankyrase 1 PARP catalytic domain, TNKS1P, was cloned into a pDONR221 vector using the Invitrogen Gateway Technology. This entry clone was ...


US Patent US9163003 (2015)


BindingDB Entry DOI: 10.7270/Q2QN65J6
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM185807
PNG
(US9163003, 15)
Show SMILES COc1ccc2C(=O)C3(Cc2c1)CCN(CC3)C1CCN(Cc2nc3CCOCc3c(=O)[nH]2)C1=O
Show InChI InChI=1S/C26H30N4O5/c1-34-17-2-3-18-16(12-17)13-26(23(18)31)6-9-29(10-7-26)21-4-8-30(25(21)33)14-22-27-20-5-11-35-15-19(20)24(32)28-22/h2-3,12,21H,4-11,13-15H2,1H3,(H,27,28,32)
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n/an/a 18n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The human tankyrase 1 PARP catalytic domain, TNKS1P, was cloned into a pDONR221 vector using the Invitrogen Gateway Technology. This entry clone was ...


US Patent US9163003 (2015)


BindingDB Entry DOI: 10.7270/Q2QN65J6
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM185825
PNG
(US9163003, 16)
Show SMILES COc1ccc2C(=O)C3(Cc2c1)CCN(CC3)[C@H]1CCN(Cc2nc3CCOCc3c(=O)[nH]2)C1=O
Show InChI InChI=1S/C26H30N4O5/c1-34-17-2-3-18-16(12-17)13-26(23(18)31)6-9-29(10-7-26)21-4-8-30(25(21)33)14-22-27-20-5-11-35-15-19(20)24(32)28-22/h2-3,12,21H,4-11,13-15H2,1H3,(H,27,28,32)/t21-/m0/s1
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US Patent
n/an/a<8.60n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The human tankyrase 1 PARP catalytic domain, TNKS1P, was cloned into a pDONR221 vector using the Invitrogen Gateway Technology. This entry clone was ...


US Patent US9163003 (2015)


BindingDB Entry DOI: 10.7270/Q2QN65J6
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM185826
PNG
(US9163003, 17)
Show SMILES COc1ccc2C(=O)C3(Cc2c1)CCN(CC3)[C@@H]1CCN(Cc2nc3CCOCc3c(=O)[nH]2)C1=O
Show InChI InChI=1S/C26H30N4O5/c1-34-17-2-3-18-16(12-17)13-26(23(18)31)6-9-29(10-7-26)21-4-8-30(25(21)33)14-22-27-20-5-11-35-15-19(20)24(32)28-22/h2-3,12,21H,4-11,13-15H2,1H3,(H,27,28,32)/t21-/m1/s1
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US Patent
n/an/a 1.72E+3n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The human tankyrase 1 PARP catalytic domain, TNKS1P, was cloned into a pDONR221 vector using the Invitrogen Gateway Technology. This entry clone was ...


US Patent US9163003 (2015)


BindingDB Entry DOI: 10.7270/Q2QN65J6
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM185808
PNG
(US9163003, 18)
Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC1)C1CCCN(Cc2nc3CCOCc3c(=O)[nH]2)C1=O
Show InChI InChI=1S/C26H32N4O5/c1-34-19-6-4-17(5-7-19)24(31)18-8-12-29(13-9-18)22-3-2-11-30(26(22)33)15-23-27-21-10-14-35-16-20(21)25(32)28-23/h4-7,18,22H,2-3,8-16H2,1H3,(H,27,28,32)
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US Patent
n/an/a 15n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The human tankyrase 1 PARP catalytic domain, TNKS1P, was cloned into a pDONR221 vector using the Invitrogen Gateway Technology. This entry clone was ...


US Patent US9163003 (2015)


BindingDB Entry DOI: 10.7270/Q2QN65J6
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a)


(Homo sapiens (Human))
BDBM185794
PNG
(US9163003, 2)
Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC1)C1CCN(Cc2nc3CCOCc3c(=O)[nH]2)C1=O
Show InChI InChI=1S/C25H30N4O5/c1-33-18-4-2-16(3-5-18)23(30)17-6-10-28(11-7-17)21-8-12-29(25(21)32)14-22-26-20-9-13-34-15-19(20)24(31)27-22/h2-5,17,21H,6-15H2,1H3,(H,26,27,31)
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US Patent
n/an/a 33n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The human tankyrase 1 PARP catalytic domain, TNKS1P, was cloned into a pDONR221 vector using the Invitrogen Gateway Technology. This entry clone was ...


US Patent US9163003 (2015)


BindingDB Entry DOI: 10.7270/Q2QN65J6
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a)


(Homo sapiens (Human))
BDBM185795
PNG
(US9163003, 3)
Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC1)[C@H]1CCN(Cc2nc3CCOCc3c(=O)[nH]2)C1=O
Show InChI InChI=1S/C25H30N4O5/c1-33-18-4-2-16(3-5-18)23(30)17-6-10-28(11-7-17)21-8-12-29(25(21)32)14-22-26-20-9-13-34-15-19(20)24(31)27-22/h2-5,17,21H,6-15H2,1H3,(H,26,27,31)/t21-/m0/s1
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US Patent
n/an/a 12.8n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The human tankyrase 1 PARP catalytic domain, TNKS1P, was cloned into a pDONR221 vector using the Invitrogen Gateway Technology. This entry clone was ...


US Patent US9163003 (2015)


BindingDB Entry DOI: 10.7270/Q2QN65J6
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a)


(Homo sapiens (Human))
BDBM185796
PNG
(US9163003, 4)
Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC1)[C@@H]1CCN(Cc2nc3CCOCc3c(=O)[nH]2)C1=O
Show InChI InChI=1S/C25H30N4O5/c1-33-18-4-2-16(3-5-18)23(30)17-6-10-28(11-7-17)21-8-12-29(25(21)32)14-22-26-20-9-13-34-15-19(20)24(31)27-22/h2-5,17,21H,6-15H2,1H3,(H,26,27,31)/t21-/m1/s1
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US Patent
n/an/a 1.60E+3n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The human tankyrase 1 PARP catalytic domain, TNKS1P, was cloned into a pDONR221 vector using the Invitrogen Gateway Technology. This entry clone was ...


US Patent US9163003 (2015)


BindingDB Entry DOI: 10.7270/Q2QN65J6
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a)


(Homo sapiens (Human))
BDBM185807
PNG
(US9163003, 15)
Show SMILES COc1ccc2C(=O)C3(Cc2c1)CCN(CC3)C1CCN(Cc2nc3CCOCc3c(=O)[nH]2)C1=O
Show InChI InChI=1S/C26H30N4O5/c1-34-17-2-3-18-16(12-17)13-26(23(18)31)6-9-29(10-7-26)21-4-8-30(25(21)33)14-22-27-20-5-11-35-15-19(20)24(32)28-22/h2-3,12,21H,4-11,13-15H2,1H3,(H,27,28,32)
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US Patent
n/an/a 33n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The human tankyrase 1 PARP catalytic domain, TNKS1P, was cloned into a pDONR221 vector using the Invitrogen Gateway Technology. This entry clone was ...


US Patent US9163003 (2015)


BindingDB Entry DOI: 10.7270/Q2QN65J6
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a)


(Homo sapiens (Human))
BDBM185825
PNG
(US9163003, 16)
Show SMILES COc1ccc2C(=O)C3(Cc2c1)CCN(CC3)[C@H]1CCN(Cc2nc3CCOCc3c(=O)[nH]2)C1=O
Show InChI InChI=1S/C26H30N4O5/c1-34-17-2-3-18-16(12-17)13-26(23(18)31)6-9-29(10-7-26)21-4-8-30(25(21)33)14-22-27-20-5-11-35-15-19(20)24(32)28-22/h2-3,12,21H,4-11,13-15H2,1H3,(H,27,28,32)/t21-/m0/s1
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US Patent
n/an/a 12n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The human tankyrase 1 PARP catalytic domain, TNKS1P, was cloned into a pDONR221 vector using the Invitrogen Gateway Technology. This entry clone was ...


US Patent US9163003 (2015)


BindingDB Entry DOI: 10.7270/Q2QN65J6
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a)


(Homo sapiens (Human))
BDBM185826
PNG
(US9163003, 17)
Show SMILES COc1ccc2C(=O)C3(Cc2c1)CCN(CC3)[C@@H]1CCN(Cc2nc3CCOCc3c(=O)[nH]2)C1=O
Show InChI InChI=1S/C26H30N4O5/c1-34-17-2-3-18-16(12-17)13-26(23(18)31)6-9-29(10-7-26)21-4-8-30(25(21)33)14-22-27-20-5-11-35-15-19(20)24(32)28-22/h2-3,12,21H,4-11,13-15H2,1H3,(H,27,28,32)/t21-/m1/s1
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US Patent
n/an/a 3.85E+3n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The human tankyrase 1 PARP catalytic domain, TNKS1P, was cloned into a pDONR221 vector using the Invitrogen Gateway Technology. This entry clone was ...


US Patent US9163003 (2015)


BindingDB Entry DOI: 10.7270/Q2QN65J6
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a)


(Homo sapiens (Human))
BDBM185808
PNG
(US9163003, 18)
Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC1)C1CCCN(Cc2nc3CCOCc3c(=O)[nH]2)C1=O
Show InChI InChI=1S/C26H32N4O5/c1-34-19-6-4-17(5-7-19)24(31)18-8-12-29(13-9-18)22-3-2-11-30(26(22)33)15-23-27-21-10-14-35-16-20(21)25(32)28-23/h4-7,18,22H,2-3,8-16H2,1H3,(H,27,28,32)
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US Patent
n/an/a 46n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The human tankyrase 1 PARP catalytic domain, TNKS1P, was cloned into a pDONR221 vector using the Invitrogen Gateway Technology. This entry clone was ...


US Patent US9163003 (2015)


BindingDB Entry DOI: 10.7270/Q2QN65J6
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM185794
PNG
(US9163003, 2)
Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC1)C1CCN(Cc2nc3CCOCc3c(=O)[nH]2)C1=O
Show InChI InChI=1S/C25H30N4O5/c1-33-18-4-2-16(3-5-18)23(30)17-6-10-28(11-7-17)21-8-12-29(25(21)32)14-22-26-20-9-13-34-15-19(20)24(31)27-22/h2-5,17,21H,6-15H2,1H3,(H,26,27,31)
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n/an/a 9.30E+3n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The human tankyrase 1 PARP catalytic domain, TNKS1P, was cloned into a pDONR221 vector using the Invitrogen Gateway Technology. This entry clone was ...


US Patent US9163003 (2015)


BindingDB Entry DOI: 10.7270/Q2QN65J6
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM185795
PNG
(US9163003, 3)
Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC1)[C@H]1CCN(Cc2nc3CCOCc3c(=O)[nH]2)C1=O
Show InChI InChI=1S/C25H30N4O5/c1-33-18-4-2-16(3-5-18)23(30)17-6-10-28(11-7-17)21-8-12-29(25(21)32)14-22-26-20-9-13-34-15-19(20)24(31)27-22/h2-5,17,21H,6-15H2,1H3,(H,26,27,31)/t21-/m0/s1
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n/an/a 2.10E+4n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The human tankyrase 1 PARP catalytic domain, TNKS1P, was cloned into a pDONR221 vector using the Invitrogen Gateway Technology. This entry clone was ...


US Patent US9163003 (2015)


BindingDB Entry DOI: 10.7270/Q2QN65J6
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM185794
PNG
(US9163003, 2)
Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC1)C1CCN(Cc2nc3CCOCc3c(=O)[nH]2)C1=O
Show InChI InChI=1S/C25H30N4O5/c1-33-18-4-2-16(3-5-18)23(30)17-6-10-28(11-7-17)21-8-12-29(25(21)32)14-22-26-20-9-13-34-15-19(20)24(31)27-22/h2-5,17,21H,6-15H2,1H3,(H,26,27,31)
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US Patent
n/an/a 5.40E+3n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The human tankyrase 1 PARP catalytic domain, TNKS1P, was cloned into a pDONR221 vector using the Invitrogen Gateway Technology. This entry clone was ...


US Patent US9163003 (2015)


BindingDB Entry DOI: 10.7270/Q2QN65J6
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM185795
PNG
(US9163003, 3)
Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC1)[C@H]1CCN(Cc2nc3CCOCc3c(=O)[nH]2)C1=O
Show InChI InChI=1S/C25H30N4O5/c1-33-18-4-2-16(3-5-18)23(30)17-6-10-28(11-7-17)21-8-12-29(25(21)32)14-22-26-20-9-13-34-15-19(20)24(31)27-22/h2-5,17,21H,6-15H2,1H3,(H,26,27,31)/t21-/m0/s1
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US Patent
n/an/a 4.80E+3n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The human tankyrase 1 PARP catalytic domain, TNKS1P, was cloned into a pDONR221 vector using the Invitrogen Gateway Technology. This entry clone was ...


US Patent US9163003 (2015)


BindingDB Entry DOI: 10.7270/Q2QN65J6
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a)


(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 15.5n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...


US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a)


(Homo sapiens (Human))
BDBM191193
PNG
(US9181266, 62)
Show SMILES Fc1ccc2C(=O)C3(Cc2c1)CCN(CC(=O)N(CC1CC1)Cc1nc2CCOCc2c(=O)[nH]1)CC3
Show InChI InChI=1S/C27H31FN4O4/c28-19-3-4-20-18(11-19)12-27(25(20)34)6-8-31(9-7-27)15-24(33)32(13-17-1-2-17)14-23-29-22-5-10-36-16-21(22)26(35)30-23/h3-4,11,17H,1-2,5-10,12-16H2,(H,29,30,35)
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n/an/a 17n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...


US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a)


(Homo sapiens (Human))
BDBM191194
PNG
(US9181266, 63)
Show SMILES COc1ccc2C(=O)C3(Cc2c1)CCN(CC(=O)N(CC1CC1)Cc1nc2CCOCc2c(=O)[nH]1)CC3
Show InChI InChI=1S/C28H34N4O5/c1-36-20-4-5-21-19(12-20)13-28(26(21)34)7-9-31(10-8-28)16-25(33)32(14-18-2-3-18)15-24-29-23-6-11-37-17-22(23)27(35)30-24/h4-5,12,18H,2-3,6-11,13-17H2,1H3,(H,29,30,35)
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n/an/a 10n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...


US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a)


(Homo sapiens (Human))
BDBM191196
PNG
(US9181266, 65)
Show SMILES O=C(CN1CCC2(CC1)CCc1ccccc1C2=O)NCc1nc2CCOCc2c(=O)[nH]1
Show InChI InChI=1S/C24H28N4O4/c29-21(25-13-20-26-19-6-12-32-15-18(19)23(31)27-20)14-28-10-8-24(9-11-28)7-5-16-3-1-2-4-17(16)22(24)30/h1-4H,5-15H2,(H,25,29)(H,26,27,31)
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n/an/a 3.10E+3n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...


US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a)


(Homo sapiens (Human))
BDBM191197
PNG
(US9181266, 66)
Show SMILES CCOc1ccc(cc1)C(=O)C1CCN(CC(=O)NCc2nc3CCOCc3c(=O)[nH]2)CC1
Show InChI InChI=1S/C24H30N4O5/c1-2-33-18-5-3-16(4-6-18)23(30)17-7-10-28(11-8-17)14-22(29)25-13-21-26-20-9-12-32-15-19(20)24(31)27-21/h3-6,17H,2,7-15H2,1H3,(H,25,29)(H,26,27,31)
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n/an/a 27n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...


US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a)


(Homo sapiens (Human))
BDBM191198
PNG
(US9181266, 67)
Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC(=O)NCc2nc3CCOCc3c(=O)[nH]2)CC1
Show InChI InChI=1S/C23H28N4O5/c1-31-17-4-2-15(3-5-17)22(29)16-6-9-27(10-7-16)13-21(28)24-12-20-25-19-8-11-32-14-18(19)23(30)26-20/h2-5,16H,6-14H2,1H3,(H,24,28)(H,25,26,30)
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n/an/a 28n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...


US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a)


(Homo sapiens (Human))
BDBM191199
PNG
(US9181266, 68)
Show SMILES FC(F)CN(Cc1nc2CCOCc2c(=O)[nH]1)C(=O)CN1CCC(CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C24H28F2N4O4/c25-20(26)12-30(13-21-27-19-8-11-34-15-18(19)24(33)28-21)22(31)14-29-9-6-17(7-10-29)23(32)16-4-2-1-3-5-16/h1-5,17,20H,6-15H2,(H,27,28,33)
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n/an/a 31n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...


US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a)


(Homo sapiens (Human))
BDBM191200
PNG
(US9181266, 69)
Show SMILES FC(F)CN(Cc1nc2CCOCc2c(=O)[nH]1)C(=O)CN1CCC(CC1)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H27ClF2N4O4/c25-17-3-1-15(2-4-17)23(33)16-5-8-30(9-6-16)13-22(32)31(11-20(26)27)12-21-28-19-7-10-35-14-18(19)24(34)29-21/h1-4,16,20H,5-14H2,(H,28,29,34)
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n/an/a 35n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...


US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(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 6n/an/an/an/an/a25



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US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...


US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM191193
PNG
(US9181266, 62)
Show SMILES Fc1ccc2C(=O)C3(Cc2c1)CCN(CC(=O)N(CC1CC1)Cc1nc2CCOCc2c(=O)[nH]1)CC3
Show InChI InChI=1S/C27H31FN4O4/c28-19-3-4-20-18(11-19)12-27(25(20)34)6-8-31(9-7-27)15-24(33)32(13-17-1-2-17)14-23-29-22-5-10-36-16-21(22)26(35)30-23/h3-4,11,17H,1-2,5-10,12-16H2,(H,29,30,35)
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n/an/a 4n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...


US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM191194
PNG
(US9181266, 63)
Show SMILES COc1ccc2C(=O)C3(Cc2c1)CCN(CC(=O)N(CC1CC1)Cc1nc2CCOCc2c(=O)[nH]1)CC3
Show InChI InChI=1S/C28H34N4O5/c1-36-20-4-5-21-19(12-20)13-28(26(21)34)7-9-31(10-8-28)16-25(33)32(14-18-2-3-18)15-24-29-23-6-11-37-17-22(23)27(35)30-24/h4-5,12,18H,2-3,6-11,13-17H2,1H3,(H,29,30,35)
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n/an/a 1n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...


US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM191196
PNG
(US9181266, 65)
Show SMILES O=C(CN1CCC2(CC1)CCc1ccccc1C2=O)NCc1nc2CCOCc2c(=O)[nH]1
Show InChI InChI=1S/C24H28N4O4/c29-21(25-13-20-26-19-6-12-32-15-18(19)23(31)27-20)14-28-10-8-24(9-11-28)7-5-16-3-1-2-4-17(16)22(24)30/h1-4H,5-15H2,(H,25,29)(H,26,27,31)
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n/an/a 760n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...


US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM191197
PNG
(US9181266, 66)
Show SMILES CCOc1ccc(cc1)C(=O)C1CCN(CC(=O)NCc2nc3CCOCc3c(=O)[nH]2)CC1
Show InChI InChI=1S/C24H30N4O5/c1-2-33-18-5-3-16(4-6-18)23(30)17-7-10-28(11-8-17)14-22(29)25-13-21-26-20-9-12-32-15-19(20)24(31)27-21/h3-6,17H,2,7-15H2,1H3,(H,25,29)(H,26,27,31)
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n/an/a 9n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...


US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM191198
PNG
(US9181266, 67)
Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC(=O)NCc2nc3CCOCc3c(=O)[nH]2)CC1
Show InChI InChI=1S/C23H28N4O5/c1-31-17-4-2-15(3-5-17)22(29)16-6-9-27(10-7-16)13-21(28)24-12-20-25-19-8-11-32-14-18(19)23(30)26-20/h2-5,16H,6-14H2,1H3,(H,24,28)(H,25,26,30)
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n/an/a 12n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...


US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM191199
PNG
(US9181266, 68)
Show SMILES FC(F)CN(Cc1nc2CCOCc2c(=O)[nH]1)C(=O)CN1CCC(CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C24H28F2N4O4/c25-20(26)12-30(13-21-27-19-8-11-34-15-18(19)24(33)28-21)22(31)14-29-9-6-17(7-10-29)23(32)16-4-2-1-3-5-16/h1-5,17,20H,6-15H2,(H,27,28,33)
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n/an/a 5n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...


US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM191200
PNG
(US9181266, 69)
Show SMILES FC(F)CN(Cc1nc2CCOCc2c(=O)[nH]1)C(=O)CN1CCC(CC1)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H27ClF2N4O4/c25-17-3-1-15(2-4-17)23(33)16-5-8-30(9-6-16)13-22(32)31(11-20(26)27)12-21-28-19-7-10-35-14-18(19)24(34)29-21/h1-4,16,20H,5-14H2,(H,28,29,34)
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n/an/a 18n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...


US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
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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n/an/a>1.90E+4n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...


US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM191197
PNG
(US9181266, 66)
Show SMILES CCOc1ccc(cc1)C(=O)C1CCN(CC(=O)NCc2nc3CCOCc3c(=O)[nH]2)CC1
Show InChI InChI=1S/C24H30N4O5/c1-2-33-18-5-3-16(4-6-18)23(30)17-7-10-28(11-8-17)14-22(29)25-13-21-26-20-9-12-32-15-19(20)24(31)27-21/h3-6,17H,2,7-15H2,1H3,(H,25,29)(H,26,27,31)
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n/an/a 6.50E+3n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...


US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM191198
PNG
(US9181266, 67)
Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC(=O)NCc2nc3CCOCc3c(=O)[nH]2)CC1
Show InChI InChI=1S/C23H28N4O5/c1-31-17-4-2-15(3-5-17)22(29)16-6-9-27(10-7-16)13-21(28)24-12-20-25-19-8-11-32-14-18(19)23(30)26-20/h2-5,16H,6-14H2,1H3,(H,24,28)(H,25,26,30)
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n/an/a 1.00E+4n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...


US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(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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US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...


US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM191197
PNG
(US9181266, 66)
Show SMILES CCOc1ccc(cc1)C(=O)C1CCN(CC(=O)NCc2nc3CCOCc3c(=O)[nH]2)CC1
Show InChI InChI=1S/C24H30N4O5/c1-2-33-18-5-3-16(4-6-18)23(30)17-7-10-28(11-8-17)14-22(29)25-13-21-26-20-9-12-32-15-19(20)24(31)27-21/h3-6,17H,2,7-15H2,1H3,(H,25,29)(H,26,27,31)
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US Patent
n/an/a 3.20E+3n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...


US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM191198
PNG
(US9181266, 67)
Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC(=O)NCc2nc3CCOCc3c(=O)[nH]2)CC1
Show InChI InChI=1S/C23H28N4O5/c1-31-17-4-2-15(3-5-17)22(29)16-6-9-27(10-7-16)13-21(28)24-12-20-25-19-8-11-32-14-18(19)23(30)26-20/h2-5,16H,6-14H2,1H3,(H,24,28)(H,25,26,30)
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US Patent
n/an/a 3.64E+3n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The autoparsylation activity of the TNKS 1/2 or PARP1/2 enzymes was measured by the liquid chromatography-mass spectrometry (LC/MS) detection of nico...


US Patent US9181266 (2015)


BindingDB Entry DOI: 10.7270/Q20P0XTF
More data for this
Ligand-Target Pair
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
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(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
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM185795
PNG
(US9163003, 3)
Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC1)[C@H]1CCN(Cc2nc3CCOCc3c(=O)[nH]2)C1=O
Show InChI InChI=1S/C25H30N4O5/c1-33-18-4-2-16(3-5-18)23(30)17-6-10-28(11-7-17)21-8-12-29(25(21)32)14-22-26-20-9-13-34-15-19(20)24(31)27-22/h2-5,17,21H,6-15H2,1H3,(H,26,27,31)/t21-/m0/s1
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n/an/a 9.5n/an/an/an/an/a25



NOVARTIS AG

US Patent


Assay Description
The human tankyrase 1 PARP catalytic domain, TNKS1P, was cloned into a pDONR221 vector using the Invitrogen Gateway Technology. This entry clone was ...


US Patent US9163003 (2015)


BindingDB Entry DOI: 10.7270/Q2QN65J6
More data for this
Ligand-Target Pair