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BDBM191176 US9181266, 45

SMILES: FC(F)CN(Cc1nc2CCOCc2c(=O)[nH]1)C(=O)CN1CCC(CC1)C(=O)c1ccc(F)cc1

InChI Key: InChIKey=DYSYSZSIEJMTPV-UHFFFAOYSA-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 = 191176   
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-1


(Homo sapiens (Human))
BDBM191176
PNG
(US9181266, 45)
Show SMILES FC(F)CN(Cc1nc2CCOCc2c(=O)[nH]1)C(=O)CN1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C24H27F3N4O4/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)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 37n/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 2


(Homo sapiens (Human))
BDBM191176
PNG
(US9181266, 45)
Show SMILES FC(F)CN(Cc1nc2CCOCc2c(=O)[nH]1)C(=O)CN1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C24H27F3N4O4/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)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
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 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))
BDBM191176
PNG
(US9181266, 45)
Show SMILES FC(F)CN(Cc1nc2CCOCc2c(=O)[nH]1)C(=O)CN1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C24H27F3N4O4/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)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
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 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 tankyrase-2


(Homo sapiens (Human))
BDBM191176
PNG
(US9181266, 45)
Show SMILES FC(F)CN(Cc1nc2CCOCc2c(=O)[nH]1)C(=O)CN1CCC(CC1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C24H27F3N4O4/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)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 10.2n/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