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Patent code US9187430

Compile Data Set for Download or QSAR
Found 9 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))		BDBM191990
PNG
(US9187430, 124 | US9718787, 124)
Show SMILES CN(C)C1(CC1)C(=O)N1CCN(CC1)C(=O)c1cc(Oc2n[nH]c(=O)c3ccccc23)ccc1F
Show InChI InChI=1S/C25H26FN5O4/c1-29(2)25(9-10-25)24(34)31-13-11-30(12-14-31)23(33)19-15-16(7-8-20(19)26)35-22-18-6-4-3-5-17(18)21(32)27-28-22/h3-8,15H,9-14H2,1-2H3,(H,27,32)
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n/an/a 6n/an/an/an/an/a25



CHENGDU DI'AO PHARMACEUTICAL GROUP CO., LTD.

US Patent


Assay Description
PARP-1 can catalyze the NAD-dependent addition of poly (ADP-ribose) to adjacent nuclear proteins such as histone. The activity of PARP was determined...

US Patent US9187430 (2015)


BindingDB Entry DOI: 10.7270/Q22F7M7Z
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM191991
PNG
(US9187430, 126 | US9718787, 126)
Show SMILES CN(C)C1(CCC1)C(=O)N1CCN(CC1)C(=O)c1cc(Oc2n[nH]c(=O)c3ccccc23)ccc1F
Show InChI InChI=1S/C26H28FN5O4/c1-30(2)26(10-5-11-26)25(35)32-14-12-31(13-15-32)24(34)20-16-17(8-9-21(20)27)36-23-19-7-4-3-6-18(19)22(33)28-29-23/h3-4,6-9,16H,5,10-15H2,1-2H3,(H,28,33)
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n/an/a 7n/an/an/an/an/a25



CHENGDU DI'AO PHARMACEUTICAL GROUP CO., LTD.

US Patent


Assay Description
PARP-1 can catalyze the NAD-dependent addition of poly (ADP-ribose) to adjacent nuclear proteins such as histone. The activity of PARP was determined...

US Patent US9187430 (2015)


BindingDB Entry DOI: 10.7270/Q22F7M7Z
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM191984
PNG
(US9187430, 61 | US9718787, 61)
Show SMILES CCC(CC)C(=O)N1CCN(CC1)C(=O)c1cc(Oc2n[nH]c(=O)c3ccccc23)ccc1F
Show InChI InChI=1S/C25H27FN4O4/c1-3-16(4-2)24(32)29-11-13-30(14-12-29)25(33)20-15-17(9-10-21(20)26)34-23-19-8-6-5-7-18(19)22(31)27-28-23/h5-10,15-16H,3-4,11-14H2,1-2H3,(H,27,31)
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n/an/a 8n/an/an/an/an/a25



CHENGDU DI'AO PHARMACEUTICAL GROUP CO., LTD.

US Patent


Assay Description
PARP-1 can catalyze the NAD-dependent addition of poly (ADP-ribose) to adjacent nuclear proteins such as histone. The activity of PARP was determined...

US Patent US9187430 (2015)


BindingDB Entry DOI: 10.7270/Q22F7M7Z
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM191985
PNG
(US9187430, 85 | US9718787, 85)
Show SMILES Fc1ccc(Oc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)C(=O)N1CCCCC1
Show InChI InChI=1S/C25H26FN5O4/c26-21-9-8-17(35-23-19-7-3-2-6-18(19)22(32)27-28-23)16-20(21)24(33)29-12-14-31(15-13-29)25(34)30-10-4-1-5-11-30/h2-3,6-9,16H,1,4-5,10-15H2,(H,27,32)
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n/an/a 9n/an/an/an/an/a25



CHENGDU DI'AO PHARMACEUTICAL GROUP CO., LTD.

US Patent


Assay Description
PARP-1 can catalyze the NAD-dependent addition of poly (ADP-ribose) to adjacent nuclear proteins such as histone. The activity of PARP was determined...

US Patent US9187430 (2015)


BindingDB Entry DOI: 10.7270/Q22F7M7Z
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(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)
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n/an/a 12n/an/an/an/an/a25



CHENGDU DI'AO PHARMACEUTICAL GROUP CO., LTD.

US Patent


Assay Description
PARP-1 can catalyze the NAD-dependent addition of poly (ADP-ribose) to adjacent nuclear proteins such as histone. The activity of PARP was determined...

US Patent US9187430 (2015)


BindingDB Entry DOI: 10.7270/Q22F7M7Z
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM191989
PNG
(US9187430, 107 | US9718787, 107)
Show SMILES Fc1ccc(Oc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)C(=O)C1CCC(F)(F)CC1
Show InChI InChI=1S/C26H25F3N4O4/c27-21-6-5-17(37-23-19-4-2-1-3-18(19)22(34)30-31-23)15-20(21)25(36)33-13-11-32(12-14-33)24(35)16-7-9-26(28,29)10-8-16/h1-6,15-16H,7-14H2,(H,30,34)
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n/an/a 13n/an/an/an/an/a25



CHENGDU DI'AO PHARMACEUTICAL GROUP CO., LTD.

US Patent


Assay Description
PARP-1 can catalyze the NAD-dependent addition of poly (ADP-ribose) to adjacent nuclear proteins such as histone. The activity of PARP was determined...

US Patent US9187430 (2015)


BindingDB Entry DOI: 10.7270/Q22F7M7Z
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM191986
PNG
(US9187430, 88 | US9718787, 88)
Show SMILES [O-][N+](=O)c1ccccc1C(=O)N1CCN(CC1)C(=O)c1cc(Oc2n[nH]c(=O)c3ccccc23)ccc1F
Show InChI InChI=1S/C26H20FN5O6/c27-21-10-9-16(38-24-18-6-2-1-5-17(18)23(33)28-29-24)15-20(21)26(35)31-13-11-30(12-14-31)25(34)19-7-3-4-8-22(19)32(36)37/h1-10,15H,11-14H2,(H,28,33)
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n/an/a 15n/an/an/an/an/a25



CHENGDU DI'AO PHARMACEUTICAL GROUP CO., LTD.

US Patent


Assay Description
PARP-1 can catalyze the NAD-dependent addition of poly (ADP-ribose) to adjacent nuclear proteins such as histone. The activity of PARP was determined...

US Patent US9187430 (2015)


BindingDB Entry DOI: 10.7270/Q22F7M7Z
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM191987
PNG
(US9187430, 99 | US9718787, 99)
Show SMILES Fc1ccc(Oc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCN(CC1)C(=O)C1CCCCC1
Show InChI InChI=1S/C26H27FN4O4/c27-22-11-10-18(35-24-20-9-5-4-8-19(20)23(32)28-29-24)16-21(22)26(34)31-14-12-30(13-15-31)25(33)17-6-2-1-3-7-17/h4-5,8-11,16-17H,1-3,6-7,12-15H2,(H,28,32)
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n/an/a 17n/an/an/an/an/a25



CHENGDU DI'AO PHARMACEUTICAL GROUP CO., LTD.

US Patent


Assay Description
PARP-1 can catalyze the NAD-dependent addition of poly (ADP-ribose) to adjacent nuclear proteins such as histone. The activity of PARP was determined...

US Patent US9187430 (2015)


BindingDB Entry DOI: 10.7270/Q22F7M7Z
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))		BDBM191988
PNG
(US9187430, 100 | US9718787, 100)
Show SMILES CCC(=O)N1CCN(CC1)C(=O)c1cc(Oc2n[nH]c(=O)c3ccccc23)ccc1F
Show InChI InChI=1S/C22H21FN4O4/c1-2-19(28)26-9-11-27(12-10-26)22(30)17-13-14(7-8-18(17)23)31-21-16-6-4-3-5-15(16)20(29)24-25-21/h3-8,13H,2,9-12H2,1H3,(H,24,29)
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n/an/a 30n/an/an/an/an/a25



CHENGDU DI'AO PHARMACEUTICAL GROUP CO., LTD.

US Patent


Assay Description
PARP-1 can catalyze the NAD-dependent addition of poly (ADP-ribose) to adjacent nuclear proteins such as histone. The activity of PARP was determined...

US Patent US9187430 (2015)


BindingDB Entry DOI: 10.7270/Q22F7M7Z
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%