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BDBM185828 US9163003, 34

SMILES: COc1ccc(cc1)C(=O)C1CCN(CC1)[C@@H]1CCN(CC(=O)Nc2nnc3SCCn23)C1=O

InChI Key: InChIKey=PADREXIRIZBNMQ-GOSISDBHSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 185828   
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
Poly [ADP-ribose] polymerase tankyrase-2


(Homo sapiens (Human))
BDBM185828
PNG
(US9163003, 34)
Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC1)[C@@H]1CCN(CC(=O)Nc2nnc3SCCn23)C1=O
Show InChI InChI=1S/C23H28N6O4S/c1-33-17-4-2-15(3-5-17)20(31)16-6-9-27(10-7-16)18-8-11-28(21(18)32)14-19(30)24-22-25-26-23-29(22)12-13-34-23/h2-5,16,18H,6-14H2,1H3,(H,24,25,30)/t18-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 16n/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 2


(Homo sapiens (Human))
BDBM185828
PNG
(US9163003, 34)
Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC1)[C@@H]1CCN(CC(=O)Nc2nnc3SCCn23)C1=O
Show InChI InChI=1S/C23H28N6O4S/c1-33-17-4-2-15(3-5-17)20(31)16-6-9-27(10-7-16)18-8-11-28(21(18)32)14-19(30)24-22-25-26-23-29(22)12-13-34-23/h2-5,16,18H,6-14H2,1H3,(H,24,25,30)/t18-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 6.30E+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))
BDBM185828
PNG
(US9163003, 34)
Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC1)[C@@H]1CCN(CC(=O)Nc2nnc3SCCn23)C1=O
Show InChI InChI=1S/C23H28N6O4S/c1-33-17-4-2-15(3-5-17)20(31)16-6-9-27(10-7-16)18-8-11-28(21(18)32)14-19(30)24-22-25-26-23-29(22)12-13-34-23/h2-5,16,18H,6-14H2,1H3,(H,24,25,30)/t18-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a>1.90E+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
Poly [ADP-ribose] polymerase tankyrase-1


(Homo sapiens (Human))
BDBM185828
PNG
(US9163003, 34)
Show SMILES COc1ccc(cc1)C(=O)C1CCN(CC1)[C@@H]1CCN(CC(=O)Nc2nnc3SCCn23)C1=O
Show InChI InChI=1S/C23H28N6O4S/c1-33-17-4-2-15(3-5-17)20(31)16-6-9-27(10-7-16)18-8-11-28(21(18)32)14-19(30)24-22-25-26-23-29(22)12-13-34-23/h2-5,16,18H,6-14H2,1H3,(H,24,25,30)/t18-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 38n/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