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6 similar compounds to monomer 191990

Compile data set for download or QSAR
Wt: 466.5
BDBM191984
Wt: 479.5
BDBM191985
Wt: 478.5
BDBM191987
Wt: 424.4
BDBM191988
Wt: 514.4
BDBM191989
Wt: 493.5
BDBM191991

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 191984,191985,191987,191988,191989,191991   
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 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)
PDB
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US Patent
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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US Patent
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))
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)
PDB
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US Patent
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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US Patent
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
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)
PDB
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US Patent
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))
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)
PDB
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US Patent
n/an/a 7n/an/an/an/an/a25



CHENGDU DIAO PHARMACEUTICAL GROUP CO., LTD.

US Patent


Assay Description
The kit is based on ELISA. 10 μl sample/well, 15 μl PARP enzyme/well and PARP cocktail 25 μl/well with a total volume of 50 μl/we...


US Patent US9718787 (2017)

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)
PDB
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UniProtKB/SwissProt

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UniChem

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US Patent
n/an/a 8n/an/an/an/an/a25



CHENGDU DIAO PHARMACEUTICAL GROUP CO., LTD.

US Patent


Assay Description
The kit is based on ELISA. 10 μl sample/well, 15 μl PARP enzyme/well and PARP cocktail 25 μl/well with a total volume of 50 μl/we...


US Patent US9718787 (2017)

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)
PDB
MMDB

UniProtKB/SwissProt

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GoogleScholar
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PC sid
UniChem

Similars

US Patent
n/an/a 9n/an/an/an/an/a25



CHENGDU DIAO PHARMACEUTICAL GROUP CO., LTD.

US Patent


Assay Description
The kit is based on ELISA. 10 μl sample/well, 15 μl PARP enzyme/well and PARP cocktail 25 μl/well with a total volume of 50 μl/we...


US Patent US9718787 (2017)

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)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
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PC sid
UniChem

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US Patent
n/an/a 17n/an/an/an/an/a25



CHENGDU DIAO PHARMACEUTICAL GROUP CO., LTD.

US Patent


Assay Description
The kit is based on ELISA. 10 μl sample/well, 15 μl PARP enzyme/well and PARP cocktail 25 μl/well with a total volume of 50 μl/we...


US Patent US9718787 (2017)

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)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 30n/an/an/an/an/a25



CHENGDU DIAO PHARMACEUTICAL GROUP CO., LTD.

US Patent


Assay Description
The kit is based on ELISA. 10 μl sample/well, 15 μl PARP enzyme/well and PARP cocktail 25 μl/well with a total volume of 50 μl/we...


US Patent US9718787 (2017)

More data for this
Ligand-Target Pair
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)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC sid
UniChem

Similars

US Patent
n/an/a 13n/an/an/an/an/a25



CHENGDU DIAO PHARMACEUTICAL GROUP CO., LTD.

US Patent


Assay Description
The kit is based on ELISA. 10 μl sample/well, 15 μl PARP enzyme/well and PARP cocktail 25 μl/well with a total volume of 50 μl/we...


US Patent US9718787 (2017)

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)
PDB
MMDB

UniProtKB/SwissProt

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UniChem

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US Patent
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