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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'poly-ADP-ribose polymerase 2 (PARP2)'   
Target
(Institution)
LigandTarget
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
poly-ADP-ribose polymerase 2 (PARP2)


(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)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 1.04E+4n/an/an/an/an/an/a



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 US9227982 (2016)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 2 (PARP2)


(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)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a>1.90E+4n/an/an/an/an/an/a



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 US9227982 (2016)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 2 (PARP2)


(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)
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a>1.90E+4n/an/an/an/an/an/a



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 US9227982 (2016)

More data for this
Ligand-Target Pair