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Patent code US9273052

Compile Data Set for Download or QSAR
Found 5 hits of Enzyme Inhibition Constant Data   
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
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM209856
PNG
(US9273052, 15 | US9566277, 15)
Show SMILES FC(F)(F)c1nnc2CN(CCn12)C(=O)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1
Show InChI InChI=1S/C22H17F3N6O2/c23-22(24,25)21-29-27-18-12-30(8-9-31(18)21)20(33)14-5-3-4-13(10-14)11-17-15-6-1-2-7-16(15)19(32)28-26-17/h1-7,10H,8-9,11-12H2,(H,28,32)
PDB
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UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 2.30n/an/an/an/an/a25



Jiangsu Hansoh Pharmaceutical Co., Ltd.

US Patent


Assay Description
The tested compounds were dissolved in dimethylsulfoxide and then diluted with 1x buffer to the concentration desired in the experiment. 25 uL of a 2...


US Patent US9273052 (2016)


BindingDB Entry DOI: 10.7270/Q2Z60MWG
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM209854
PNG
(US9273052, 2 | US9566277, 2)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCn2cccc2C1
Show InChI InChI=1S/C23H19FN4O2/c24-20-8-7-15(13-21-17-5-1-2-6-18(17)22(29)26-25-21)12-19(20)23(30)28-11-10-27-9-3-4-16(27)14-28/h1-9,12H,10-11,13-14H2,(H,26,29)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5n/an/an/an/an/a25



Jiangsu Hansoh Pharmaceutical Co., Ltd.

US Patent


Assay Description
The tested compounds were dissolved in dimethylsulfoxide and then diluted with 1x buffer to the concentration desired in the experiment. 25 uL of a 2...


US Patent US9273052 (2016)


BindingDB Entry DOI: 10.7270/Q2Z60MWG
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM209857
PNG
(US9273052, 19 | US9566277, 19)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCn2nc(nc2C1)C(F)(F)F
Show InChI InChI=1S/C22H16F4N6O2/c23-16-6-5-12(10-17-13-3-1-2-4-14(13)19(33)29-28-17)9-15(16)20(34)31-7-8-32-18(11-31)27-21(30-32)22(24,25)26/h1-6,9H,7-8,10-11H2,(H,29,33)
PDB
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UniProtKB/SwissProt

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antibodypedia
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Purchase

MCE
PC cid
PC sid
UniChem
US Patent
n/an/a 10.2n/an/an/an/an/a25



Jiangsu Hansoh Pharmaceutical Co., Ltd.

US Patent


Assay Description
The tested compounds were dissolved in dimethylsulfoxide and then diluted with 1x buffer to the concentration desired in the experiment. 25 uL of a 2...


US Patent US9273052 (2016)


BindingDB Entry DOI: 10.7270/Q2Z60MWG
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM209853
PNG
(US9273052, 1 | US9566277, 1)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCn2c(C1)nnc2C(F)(F)F
Show InChI InChI=1S/C22H16F4N6O2/c23-16-6-5-12(10-17-13-3-1-2-4-14(13)19(33)29-27-17)9-15(16)20(34)31-7-8-32-18(11-31)28-30-21(32)22(24,25)26/h1-6,9H,7-8,10-11H2,(H,29,33)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 15n/an/an/an/an/a25



Jiangsu Hansoh Pharmaceutical Co., Ltd.

US Patent


Assay Description
The tested compounds were dissolved in dimethylsulfoxide and then diluted with 1x buffer to the concentration desired in the experiment. 25 uL of a 2...


US Patent US9273052 (2016)


BindingDB Entry DOI: 10.7270/Q2Z60MWG
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM209855
PNG
(US9273052, 3 | US9566277, 3)
Show SMILES COC(=O)c1nc(n2CCN(Cc12)C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)C(F)(F)F
Show InChI InChI=1S/C25H19F4N5O4/c1-38-23(37)20-19-12-33(8-9-34(19)24(30-20)25(27,28)29)22(36)16-10-13(6-7-17(16)26)11-18-14-4-2-3-5-15(14)21(35)32-31-18/h2-7,10H,8-9,11-12H2,1H3,(H,32,35)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 52n/an/an/an/an/a25



Jiangsu Hansoh Pharmaceutical Co., Ltd.

US Patent


Assay Description
The tested compounds were dissolved in dimethylsulfoxide and then diluted with 1x buffer to the concentration desired in the experiment. 25 uL of a 2...


US Patent US9273052 (2016)


BindingDB Entry DOI: 10.7270/Q2Z60MWG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%