BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 417 hits Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 6'   
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
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a)


(Homo sapiens (Human))
BDBM50094926
PNG
(CHEMBL3589282)
Show SMILES COc1ccc(cc1)-c1cc2N(C)CCCc2c(=O)[nH]1
Show InChI InChI=1S/C16H18N2O2/c1-18-9-3-4-13-15(18)10-14(17-16(13)19)11-5-7-12(20-2)8-6-11/h5-8,10H,3-4,9H2,1-2H3,(H,17,19)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human TNKS1 catalytic activity


Bioorg Med Chem 23: 3013-32 (2015)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a)


(Homo sapiens (Human))
BDBM50094923
PNG
(CHEMBL3589254)
Show SMILES O=c1[nH]c(cc2ccncc12)-c1ccccc1
Show InChI InChI=1S/C14H10N2O/c17-14-12-9-15-7-6-11(12)8-13(16-14)10-4-2-1-3-5-10/h1-9H,(H,16,17)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human TNKS1 catalytic activity


Bioorg Med Chem 23: 3013-32 (2015)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a)


(Homo sapiens (Human))
BDBM50094927
PNG
(CHEMBL3589283)
Show SMILES CN1CCCc2c1cc([nH]c2=O)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C16H15F3N2O/c1-21-8-2-3-12-14(21)9-13(20-15(12)22)10-4-6-11(7-5-10)16(17,18)19/h4-7,9H,2-3,8H2,1H3,(H,20,22)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.5n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human TNKS1 catalytic activity


Bioorg Med Chem 23: 3013-32 (2015)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a)


(Homo sapiens (Human))
BDBM50169057
PNG
(CHEMBL3805896)
Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)CCCc1cn2c(C)ccc2c(=O)[nH]1
Show InChI InChI=1S/C25H29N3O4/c1-17-6-11-22-25(31)26-20(16-28(17)22)4-3-5-23(29)27-14-12-19(13-15-27)24(30)18-7-9-21(32-2)10-8-18/h6-11,16,19H,3-5,12-15H2,1-2H3,(H,26,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.80n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged TNKS1 (1023 to 1327 residues) (unknown origin) autoparsylation using biotinylated NAD incubated for 1 hr by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a)


(Homo sapiens (Human))
BDBM50169056
PNG
(CHEMBL3806163)
Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)CCCc1cn2cc(F)cc2c(=O)[nH]1
Show InChI InChI=1S/C24H26FN3O4/c1-32-20-7-5-16(6-8-20)23(30)17-9-11-27(12-10-17)22(29)4-2-3-19-15-28-14-18(25)13-21(28)24(31)26-19/h5-8,13-15,17H,2-4,9-12H2,1H3,(H,26,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged TNKS1 (1023 to 1327 residues) (unknown origin) autoparsylation using biotinylated NAD incubated for 1 hr by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Tankyrase 1/2


(Homo sapiens (Human))
CHEMBL4098952
PNG
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
n/an/a 2n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a)


(Homo sapiens (Human))
BDBM50169061
PNG
(CHEMBL3805393)
Show SMILES COc1ccc(cn1)C(=O)C1CCN(CC1)C(=O)CCCc1cn2cc(F)cc2c(=O)[nH]1
Show InChI InChI=1S/C23H25FN4O4/c1-32-20-6-5-16(12-25-20)22(30)15-7-9-27(10-8-15)21(29)4-2-3-18-14-28-13-17(24)11-19(28)23(31)26-18/h5-6,11-15H,2-4,7-10H2,1H3,(H,26,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PubMed
n/an/a 2.40n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged TNKS1 (1023 to 1327 residues) (unknown origin) autoparsylation using biotinylated NAD incubated for 1 hr by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Tankyrase 1/2


(Homo sapiens (Human))
CHEMBL4060134
PNG
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
n/an/a 2.5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a)


(Homo sapiens (Human))
BDBM50169060
PNG
(CHEMBL3804939)
Show SMILES COc1ccc(cc1C)C(=O)C1CCN(CC1)C(=O)CCCc1nc2c(C)scc2c(=O)[nH]1
Show InChI InChI=1S/C25H29N3O4S/c1-15-13-18(7-8-20(15)32-3)24(30)17-9-11-28(12-10-17)22(29)6-4-5-21-26-23-16(2)33-14-19(23)25(31)27-21/h7-8,13-14,17H,4-6,9-12H2,1-3H3,(H,26,27,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 4n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged TNKS1 (1023 to 1327 residues) (unknown origin) autoparsylation using biotinylated NAD incubated for 1 hr by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Tankyrase 1/2


(Homo sapiens (Human))
CHEMBL4094551
PNG
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
n/an/a 4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a)


(Homo sapiens (Human))
BDBM50094922
PNG
(CHEMBL3589247)
Show SMILES O=c1[nH]c(cc2ncccc12)-c1ccccc1
Show InChI InChI=1S/C14H10N2O/c17-14-11-7-4-8-15-13(11)9-12(16-14)10-5-2-1-3-6-10/h1-9H,(H,16,17)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human TNKS1 catalytic activity


Bioorg Med Chem 23: 3013-32 (2015)

More data for this
Ligand-Target Pair
Tankyrase 1/2


(Homo sapiens (Human))
BDBM50234915
PNG
(CHEMBL4069447)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 5.10n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tankyrase 1/2


(Homo sapiens (Human))
BDBM50234915
PNG
(CHEMBL4069447)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 5.10n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a)


(Homo sapiens (Human))
BDBM185805
PNG
(US9163003, 13)
Show SMILES COc1ccc(cc1C)C(=O)C1CCN(CC1)[C@H]1CCN(Cc2nc3CCOCc3c(=O)[nH]2)C1=O
Show InChI InChI=1/C26H32N4O5/c1-16-13-18(3-4-22(16)34-2)24(31)17-5-9-29(10-6-17)21-7-11-30(26(21)33)14-23-27-20-8-12-35-15-19(20)25(32)28-23/h3-4,13,17,21H,5-12,14-15H2,1-2H3,(H,27,28,32)/t21-/s2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6n/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 ...


Citation and Details
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a)


(Homo sapiens (Human))
BDBM50094941
PNG
(CHEMBL3589285)
Show SMILES CN1CCCc2c1cc([nH]c2=O)-c1ccc(Br)cc1
Show InChI InChI=1S/C18H15N3O/c1-20-18(22)15-12-21(11-13-7-3-2-4-8-13)16-10-6-5-9-14(16)17(15)19-20/h2-10,12H,11H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.10n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human TNKS1 catalytic activity


Bioorg Med Chem 23: 3013-32 (2015)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a)


(Homo sapiens (Human))
BDBM50094924
PNG
(CHEMBL3589258)
Show SMILES Cc1ccc(cc1)-c1cc2cnccc2c(=O)[nH]1
Show InChI InChI=1S/C15H12N2O/c1-10-2-4-11(5-3-10)14-8-12-9-16-7-6-13(12)15(18)17-14/h2-9H,1H3,(H,17,18)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.20n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human TNKS1 catalytic activity


Bioorg Med Chem 23: 3013-32 (2015)

More data for this
Ligand-Target Pair
Tankyrase 1/2


(Homo sapiens (Human))
CHEMBL4098952
PNG
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
n/an/a 6.30n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tankyrase 1/2


(Homo sapiens (Human))
CHEMBL4080918
PNG
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
n/an/a 6.30n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tankyrase 1/2


(Homo sapiens (Human))
CHEMBL4087470
PNG
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
n/an/a 7.90n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tankyrase 1/2


(Homo sapiens (Human))
CHEMBL4083872
PNG
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
n/an/a 7.90n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tankyrase 1/2


(Homo sapiens (Human))
CHEMBL4096094
PNG
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
n/an/a 7.90n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tankyrase 1/2


(Homo sapiens (Human))
CHEMBL4089774
PNG
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
n/an/a 7.90n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a)


(Homo sapiens (Human))
BDBM50425969
PNG
(CHEMBL2314698)
Show SMILES COc1ccccc1NC(=O)c1ccc(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)cc1
Show InChI InChI=1S/C25H22N4O4/c1-33-21-9-5-4-8-20(21)28-24(31)16-10-12-17(13-11-16)26-23(30)15-14-22-27-19-7-3-2-6-18(19)25(32)29-22/h2-13H,14-15H2,1H3,(H,26,30)(H,28,31)(H,27,29,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


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


J Med Chem 56: 1341-5 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a)


(Homo sapiens (Human))
BDBM50169058
PNG
(CHEMBL3806049)
Show SMILES CC(C)n1cc(cn1)C(=O)C1CCN(CC1)C(=O)CCCc1nc2n(C)ccc2c(=O)[nH]1
Show InChI InChI=1S/C23H30N6O3/c1-15(2)29-14-17(13-24-29)21(31)16-7-11-28(12-8-16)20(30)6-4-5-19-25-22-18(23(32)26-19)9-10-27(22)3/h9-10,13-16H,4-8,11-12H2,1-3H3,(H,25,26,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 8.10n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged TNKS1 (1023 to 1327 residues) (unknown origin) autoparsylation using biotinylated NAD incubated for 1 hr by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a)


(Homo sapiens (Human))
BDBM50169059
PNG
(CHEMBL3805627)
Show SMILES Cc1ccc2n1nc(CCCC(=O)N1CCC(CC1)Oc1ccc(cc1)C#N)[nH]c2=O
Show InChI InChI=1S/C23H25N5O3/c1-16-5-10-20-23(30)25-21(26-28(16)20)3-2-4-22(29)27-13-11-19(12-14-27)31-18-8-6-17(15-24)7-9-18/h5-10,19H,2-4,11-14H2,1H3,(H,25,26,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 8.5n/an/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged TNKS1 (1023 to 1327 residues) (unknown origin) autoparsylation using biotinylated NAD incubated for 1 hr by ELISA


Citation and Details
More data for this
Ligand-Target Pair
Tankyrase 1/2


(Homo sapiens (Human))
BDBM50234916
PNG
(CHEMBL4098188)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 9.10n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tankyrase 1/2


(Homo sapiens (Human))
BDBM50234916
PNG
(CHEMBL4098188)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 9.10n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a)


(Homo sapiens (Human))
BDBM185818
PNG
(US9163003, 30)
Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC1)[C@H]1CCN(Cc2nc3ccccc(=O)c3[nH]2)C1=O
Show InChI InChI=1/C26H28N4O4/c1-34-19-8-6-17(7-9-19)25(32)18-10-13-29(14-11-18)21-12-15-30(26(21)33)16-23-27-20-4-2-3-5-22(31)24(20)28-23/h2-9,18,21H,10-16H2,1H3,(H,27,28)/t21-/s2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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 ...


Citation and Details
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)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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...


Citation and Details
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a)


(Homo sapiens (Human))
BDBM191195
PNG
(US9181266, 64)
Show SMILES COc1ccc2C(=O)C3(Cc2c1)CCN(CC(=O)N(CC(F)F)Cc1nc2CCOCc2c(=O)[nH]1)CC3
Show InChI InChI=1S/C26H30F2N4O5/c1-36-17-2-3-18-16(10-17)11-26(24(18)34)5-7-31(8-6-26)14-23(33)32(12-21(27)28)13-22-29-20-4-9-37-15-19(20)25(35)30-22/h2-3,10,21H,4-9,11-15H2,1H3,(H,29,30,35)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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...


Citation and Details
More data for this
Ligand-Target Pair
Tankyrase 1/2


(Homo sapiens (Human))
BDBM50188594
PNG
(CHEBI:62878 | CHEMBL1086580)
Show SMILES Oc1nc(nc2CCSCc12)-c1ccc(cc1)C(F)(F)F
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)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
PubMed
n/an/a 10n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of TNKS-1 (unknown origin) using histone as substrate incubated for 30 mins by colorimetric assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tankyrase 1/2


(Homo sapiens (Human))
CHEMBL4068794
PNG
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
n/an/a 10n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tankyrase 1/2


(Homo sapiens (Human))
CHEMBL4101869
PNG
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity against calf intestine adenosine deaminase enzyme


Citation and Details
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a)


(Homo sapiens (Human))
BDBM27566
PNG
(4-({3-[(4-cyclopropanecarbonylpiperazin-1-yl)carbo...)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)C(=O)C1CC1
Show InChI InChI=1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

MMDB
PC cid
PC sid
PDB
UniChem

Patents

US Patent
n/an/a 10.4n/an/an/an/an/an/a



Shanghai Institute of Materia Medica, Chinese Academy of Sciences

US Patent


Assay Description
In order to test the selectivity of substituents on piperazinotriazole ring within the PARP family, the selectivity of compound S3 and positive compo...


Citation and Details
More data for this
Ligand-Target Pair
Tankyrase 1 (TNKS1)


(Homo sapiens (Human))
BDBM318008
PNG
(2-[4-[(3-Chloro-2-pyridyl)methyl]piperazin-1-yl]-8...)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
UniChem
Article
n/an/a 10.7n/an/an/an/an/an/a



Kochi Medical School





J Med Chem 48: 7860-6 (2005)

More data for this
Ligand-Target Pair
Tankyrase 1 (TNKS1)


(Homo sapiens (Human))
BDBM318009
PNG
(2-[4-[(3-Bromo-2- pyridyl)methyl]piperazin-1- yl]-...)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
UniChem
Article
n/an/a 10.9n/an/an/an/an/an/a



Kochi Medical School





J Med Chem 48: 7860-6 (2005)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a)


(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)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
n/an/a 11n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of tankyrase1 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a)


(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)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Inhibition of TNKS-1 (unknown origin) by TCF/beta-catenin-dependent reporter assay


J Med Chem 57: 2807-12 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a)


(Homo sapiens (Human))
BDBM50441357
PNG
(CHEMBL2431805)
Show SMILES FC(F)(F)c1ccc(cc1)-c1nc2CSCCc2c(=O)[nH]1
Show InChI InChI=1S/C14H11F3N2OS/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)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Sienabiotech S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged Tankyrases 1 (unknown origin) by autoPARsylationassay


Eur J Med Chem 95: 526-45 (2015)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a)


(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)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Karolinska Institutet

Curated by ChEMBL


Assay Description
Inhibition of TNKS1


J Med Chem 53: 5352-5 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a)


(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)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Abo Akademi University

Curated by ChEMBL


Assay Description
Inhibition of TNKS1


J Med Chem 55: 1360-7 (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tankyrase 1/2


(Homo sapiens (Human))
BDBM50188594
PNG
(CHEBI:62878 | CHEMBL1086580)
Show SMILES Oc1nc(nc2CCSCc12)-c1ccc(cc1)C(F)(F)F
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)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
n/an/a 11n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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 ...


Citation and Details
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a)


(Homo sapiens (Human))
BDBM50007582
PNG
(CHEMBL3238252)
Show SMILES Cc1cc(NCCc2ccc(O)cc2)c2nncn2n1
Show InChI InChI=1S/C14H15N5O/c1-10-8-13(14-17-16-9-19(14)18-10)15-7-6-11-2-4-12(20)5-3-11/h2-5,8-9,15,20H,6-7H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TNKS-1


J Med Chem 57: 2807-12 (2014)

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=1/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-/s2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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 ...


Citation and Details
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a)


(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)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


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


J Med Chem 55: 1127-36 (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tankyrase 1 (TNKS1)


(Homo sapiens (Human))
BDBM318039
PNG
(2-[[4-(8-Methyl-4-oxo-3,5,6,7-tetrahydropyrido[2,3...)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
UniChem
Article
n/an/a 14.3n/an/an/an/an/an/a



Kochi Medical School





J Med Chem 48: 7860-6 (2005)

More data for this
Ligand-Target Pair
Tankyrase 1 (TNKS1)


(Homo sapiens (Human))
BDBM318040
PNG
(2-[4-[(4-Chloropyrimidin-2-yl)methyl]piperazin-1-y...)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
UniChem
Article
n/an/a 14.5n/an/an/an/an/an/a



Kochi Medical School





J Med Chem 48: 7860-6 (2005)

More data for this
Ligand-Target Pair
Tankyrase 1 (TNKS1)


(Homo sapiens (Human))
BDBM318019
PNG
(2-[4-[(4-methoxypyrimidin-2-yl)methyl]piperazin-1-...)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
UniChem
Article
n/an/a 14.9n/an/an/an/an/an/a



Kochi Medical School





J Med Chem 48: 7860-6 (2005)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a)


(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)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 15n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human TNKS1 catalytic activity


Bioorg Med Chem 23: 3013-32 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Displayed 1 to 50 (of 417 total )  |  Next  |  Last  >>
Jump to: