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Compile Data Set for Download or QSAR

Found 147 hits of kd data for polymerid = 232   
Target
(Institution)
LigandTarget
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 (PARP1)


(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/an/a 0.240n/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human HisGST-tagged PARP-1 catalytic domain by surface plasmon resonance analysis


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM27135
PNG
(2-[(2R)-2-methylpyrrolidin-2-yl]-1H-1,3-benzodiazo...)
Show SMILES C[C@@]1(CCCN1)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m1/s1
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n/an/an/a 1.70n/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human HisGST-tagged PARP-1 catalytic domain by surface plasmon resonance analysis


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM50438244
PNG
(CHEMBL2408002)
Show SMILES CC1Oc2ccc(CN3CCC(=CC3)c3ccc(Cl)cc3)cc2NC1=O
Show InChI InChI=1S/C21H21ClN2O2/c1-14-21(25)23-19-12-15(2-7-20(19)26-14)13-24-10-8-17(9-11-24)16-3-5-18(22)6-4-16/h2-8,12,14H,9-11,13H2,1H3,(H,23,25)
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n/an/an/a 3n/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Binding affinity to catalytic domain of human PARP1 after 5 mins by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM138348
PNG
(US8877944, 99)
Show SMILES NC(=O)c1cc(F)cc2CN(C3CCN(CC3)C3CCC(F)(F)CC3)C(=O)c12
Show InChI InChI=1S/C20H24F3N3O2/c21-13-9-12-11-26(19(28)17(12)16(10-13)18(24)27)15-3-7-25(8-4-15)14-1-5-20(22,23)6-2-14/h9-10,14-15H,1-8,11H2,(H2,24,27)
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n/an/an/a 8.60n/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human HisGST-tagged PARP-1 catalytic domain by surface plasmon resonance analysis


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM240704
PNG
(US9422243, 1)
Show SMILES NCCOc1c([nH]c(=O)c2cc(F)ccc12)-c1ccc(Br)cc1
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n/an/an/a<10n/an/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L. a corporation

US Patent


Assay Description
The identification of compounds capable of binding several PARP proteins is carried out through a screening method including the steps of a) provi...


US Patent US9422243 (2016)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM167430
PNG
(US9073893, 63)
Show SMILES Cn1n(C2CCN(Cc3cccs3)CC2)c(=O)c2c(cccc12)C(N)=O
Show InChI InChI=1S/C19H22N4O2S/c1-21-16-6-2-5-15(18(20)24)17(16)19(25)23(21)13-7-9-22(10-8-13)12-14-4-3-11-26-14/h2-6,11,13H,7-10,12H2,1H3,(H2,20,24)
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n/an/an/a<10n/an/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L.

US Patent


Assay Description
Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...


US Patent US9073893 (2015)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM240708
PNG
(US9422243, 5)
Show SMILES NCCOc1c([nH]c(=O)c2cc(F)ccc12)-c1cccc(Br)c1
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n/an/an/a 10n/an/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L. a corporation

US Patent


Assay Description
The identification of compounds capable of binding several PARP proteins is carried out through a screening method including the steps of a) provi...


US Patent US9422243 (2016)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM240709
PNG
(US9422243, 6)
Show SMILES NCCOc1c([nH]c(=O)c2cc(F)ccc12)-c1ccc(cc1)C#N
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n/an/an/a 10n/an/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L. a corporation

US Patent


Assay Description
The identification of compounds capable of binding several PARP proteins is carried out through a screening method including the steps of a) provi...


US Patent US9422243 (2016)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM240711
PNG
(US9422243, 8)
Show SMILES NCCOc1c([nH]c(=O)c2cc(F)ccc12)-c1ccc(Cl)cc1
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n/an/an/a<10n/an/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L. a corporation

US Patent


Assay Description
The identification of compounds capable of binding several PARP proteins is carried out through a screening method including the steps of a) provi...


US Patent US9422243 (2016)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM240714
PNG
(US9422243, 12)
Show SMILES NCCOc1c([nH]c(=O)c2c(F)c(F)ccc12)-c1ccc(Br)cc1
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n/an/an/a<10n/an/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L. a corporation

US Patent


Assay Description
The identification of compounds capable of binding several PARP proteins is carried out through a screening method including the steps of a) provi...


US Patent US9422243 (2016)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM240715
PNG
(US9422243, 13)
Show SMILES Cc1cc(ccc1Cl)-c1[nH]c(=O)c2cc(F)ccc2c1OCCN
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n/an/an/a<10n/an/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L. a corporation

US Patent


Assay Description
The identification of compounds capable of binding several PARP proteins is carried out through a screening method including the steps of a) provi...


US Patent US9422243 (2016)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM240716
PNG
(US9422243, 14)
Show SMILES NCCOc1c([nH]c(=O)c2cc(F)ccc12)-c1ccc(Cl)c(Cl)c1
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n/an/an/a<10n/an/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L. a corporation

US Patent


Assay Description
The identification of compounds capable of binding several PARP proteins is carried out through a screening method including the steps of a) provi...


US Patent US9422243 (2016)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM240717
PNG
(US9422243, 15)
Show SMILES NCCOc1c([nH]c(=O)c2cc(F)ccc12)-c1ccc(F)c(F)c1
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n/an/an/a 10n/an/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L. a corporation

US Patent


Assay Description
The identification of compounds capable of binding several PARP proteins is carried out through a screening method including the steps of a) provi...


US Patent US9422243 (2016)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM240721
PNG
(US9422243, 21)
Show SMILES COc1ccc(cc1F)-c1[nH]c(=O)c2cc(F)ccc2c1OCCN
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n/an/an/a<10n/an/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L. a corporation

US Patent


Assay Description
The identification of compounds capable of binding several PARP proteins is carried out through a screening method including the steps of a) provi...


US Patent US9422243 (2016)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM124950
PNG
(US8765972, 3)
Show SMILES CC1N(C2CCN(CC2)C2CCCCC2)C(=O)c2c1cccc2C(N)=O
Show InChI InChI=1S/C21H29N3O2/c1-14-17-8-5-9-18(20(22)25)19(17)21(26)24(14)16-10-12-23(13-11-16)15-6-3-2-4-7-15/h5,8-9,14-16H,2-4,6-7,10-13H2,1H3,(H2,22,25)
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n/an/an/a 10n/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

US Patent


Assay Description
Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...


US Patent US8765972 (2014)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM124951
PNG
(US8765972, 4)
Show SMILES C[C@@H]1N(C2CCN(CC2)C2CCCCC2)C(=O)c2c1cccc2C(N)=O
Show InChI InChI=1S/C21H29N3O2/c1-14-17-8-5-9-18(20(22)25)19(17)21(26)24(14)16-10-12-23(13-11-16)15-6-3-2-4-7-15/h5,8-9,14-16H,2-4,6-7,10-13H2,1H3,(H2,22,25)/t14-/m0/s1
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n/an/an/a 10n/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

US Patent


Assay Description
Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...


US Patent US8765972 (2014)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM124959
PNG
(US8765972, 18)
Show SMILES CC1N(C2CCN(CC2)C2CCC2)C(=O)c2c1cccc2C(N)=O
Show InChI InChI=1S/C19H25N3O2/c1-12-15-6-3-7-16(18(20)23)17(15)19(24)22(12)14-8-10-21(11-9-14)13-4-2-5-13/h3,6-7,12-14H,2,4-5,8-11H2,1H3,(H2,20,23)
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n/an/an/a 10n/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

US Patent


Assay Description
Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...


US Patent US8765972 (2014)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM124961
PNG
(US8765972, 20)
Show SMILES CC1N(C2CCN(Cc3cccs3)CC2)C(=O)c2c1cccc2C(N)=O
Show InChI InChI=1S/C20H23N3O2S/c1-13-16-5-2-6-17(19(21)24)18(16)20(25)23(13)14-7-9-22(10-8-14)12-15-4-3-11-26-15/h2-6,11,13-14H,7-10,12H2,1H3,(H2,21,24)
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n/an/an/a 10n/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

US Patent


Assay Description
Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...


US Patent US8765972 (2014)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM167412
PNG
(US9073893, 5)
Show SMILES Cn1n(C2CCN(CC2)C2CCCCC2)c(=O)c2c(cccc12)C(N)=O
Show InChI InChI=1S/C20H28N4O2/c1-22-17-9-5-8-16(19(21)25)18(17)20(26)24(22)15-10-12-23(13-11-15)14-6-3-2-4-7-14/h5,8-9,14-15H,2-4,6-7,10-13H2,1H3,(H2,21,25)
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n/an/an/a<10n/an/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L.

US Patent


Assay Description
Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...


US Patent US9073893 (2015)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM167413
PNG
(US9073893, 6)
Show SMILES Cn1n(C2CCN(CC2)C2CCC(F)(F)CC2)c(=O)c2c(cccc12)C(N)=O
Show InChI InChI=1S/C20H26F2N4O2/c1-24-16-4-2-3-15(18(23)27)17(16)19(28)26(24)14-7-11-25(12-8-14)13-5-9-20(21,22)10-6-13/h2-4,13-14H,5-12H2,1H3,(H2,23,27)
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n/an/an/a<10n/an/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L.

US Patent


Assay Description
Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...


US Patent US9073893 (2015)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM167414
PNG
(US9073893, 7)
Show SMILES Cn1n(C2CCN(CC2)C2CCCC2)c(=O)c2c(cccc12)C(N)=O
Show InChI InChI=1S/C19H26N4O2/c1-21-16-8-4-7-15(18(20)24)17(16)19(25)23(21)14-9-11-22(12-10-14)13-5-2-3-6-13/h4,7-8,13-14H,2-3,5-6,9-12H2,1H3,(H2,20,24)
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n/an/an/a<10n/an/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L.

US Patent


Assay Description
Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...


US Patent US9073893 (2015)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM167419
PNG
(US9073893, 18)
Show SMILES Cn1n(C2CCN(CC2)C2CCC2)c(=O)c2c(cccc12)C(N)=O
Show InChI InChI=1S/C18H24N4O2/c1-20-15-7-3-6-14(17(19)23)16(15)18(24)22(20)13-8-10-21(11-9-13)12-4-2-5-12/h3,6-7,12-13H,2,4-5,8-11H2,1H3,(H2,19,23)
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n/an/an/a<10n/an/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L.

US Patent


Assay Description
Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...


US Patent US9073893 (2015)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM167420
PNG
(US9073893, 20)
Show SMILES NC(=O)c1cc(F)cc2[nH]n(C3CCNCC3)c(=O)c12
Show InChI InChI=1S/C13H15FN4O2/c14-7-5-9(12(15)19)11-10(6-7)17-18(13(11)20)8-1-3-16-4-2-8/h5-6,8,16-17H,1-4H2,(H2,15,19)
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n/an/an/a<10n/an/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L.

US Patent


Assay Description
Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...


US Patent US9073893 (2015)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM167421
PNG
(US9073893, 21)
Show SMILES Cn1n(C2CCNCC2)c(=O)c2c(cc(F)cc12)C(N)=O
Show InChI InChI=1S/C14H17FN4O2/c1-18-11-7-8(15)6-10(13(16)20)12(11)14(21)19(18)9-2-4-17-5-3-9/h6-7,9,17H,2-5H2,1H3,(H2,16,20)
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n/an/an/a<10n/an/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L.

US Patent


Assay Description
Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...


US Patent US9073893 (2015)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM167422
PNG
(US9073893, 22)
Show SMILES Cn1n(C2CCN(CC2)C2CCCCC2)c(=O)c2c(cc(F)cc12)C(N)=O
Show InChI InChI=1S/C20H27FN4O2/c1-23-17-12-13(21)11-16(19(22)26)18(17)20(27)25(23)15-7-9-24(10-8-15)14-5-3-2-4-6-14/h11-12,14-15H,2-10H2,1H3,(H2,22,26)
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n/an/an/a<10n/an/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L.

US Patent


Assay Description
Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...


US Patent US9073893 (2015)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM240707
PNG
(US9422243, 4)
Show SMILES NCCOc1c([nH]c(=O)c2cc(F)ccc12)-c1ccc(N2CCOCC2)c(Br)c1
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n/an/an/a<10n/an/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L. a corporation

US Patent


Assay Description
The identification of compounds capable of binding several PARP proteins is carried out through a screening method including the steps of a) provi...


US Patent US9422243 (2016)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM167427
PNG
(US9073893, 65)
Show SMILES Cn1n(C2CCN(CC3CCC=CC3)CC2)c(=O)c2c(cccc12)C(N)=O
Show InChI InChI=1/C21H28N4O2/c1-23-18-9-5-8-17(20(22)26)19(18)21(27)25(23)16-10-12-24(13-11-16)14-15-6-3-2-4-7-15/h2-3,5,8-9,15-16H,4,6-7,10-14H2,1H3,(H2,22,26)
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n/an/an/a 11n/an/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L.

US Patent


Assay Description
Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...


US Patent US9073893 (2015)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM167417
PNG
(US9073893, 14)
Show SMILES CC(C)N1CCC(CC1)n1n(C)c2cccc(C(N)=O)c2c1=O
Show InChI InChI=1S/C17H24N4O2/c1-11(2)20-9-7-12(8-10-20)21-17(23)15-13(16(18)22)5-4-6-14(15)19(21)3/h4-6,11-12H,7-10H2,1-3H3,(H2,18,22)
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n/an/an/a 11n/an/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L.

US Patent


Assay Description
Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...


US Patent US9073893 (2015)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM167416
PNG
(US9073893, 9)
Show SMILES Cn1n(C2CCNCC2)c(=O)c2c(cccc12)C(N)=O
Show InChI InChI=1S/C14H18N4O2/c1-17-11-4-2-3-10(13(15)19)12(11)14(20)18(17)9-5-7-16-8-6-9/h2-4,9,16H,5-8H2,1H3,(H2,15,19)
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n/an/an/a 14n/an/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L.

US Patent


Assay Description
Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...


US Patent US9073893 (2015)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM167431
PNG
(US9073893, 67)
Show SMILES Cn1n(C2CCN(Cc3ccco3)CC2)c(=O)c2c(cccc12)C(N)=O
Show InChI InChI=1S/C19H22N4O3/c1-21-16-6-2-5-15(18(20)24)17(16)19(25)23(21)13-7-9-22(10-8-13)12-14-4-3-11-26-14/h2-6,11,13H,7-10,12H2,1H3,(H2,20,24)
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n/an/an/a 15n/an/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L.

US Patent


Assay Description
Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...


US Patent US9073893 (2015)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM50438245
PNG
(CHEMBL2408001)
Show SMILES Clc1ccc(cc1)C1=CCN(Cc2ccc3OCC(=O)Nc3c2)CC1
Show InChI InChI=1S/C20H19ClN2O2/c21-17-4-2-15(3-5-17)16-7-9-23(10-8-16)12-14-1-6-19-18(11-14)22-20(24)13-25-19/h1-7,11H,8-10,12-13H2,(H,22,24)
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n/an/an/a 15n/an/an/an/an/a



Takeda California

Curated by ChEMBL


Assay Description
Binding affinity to catalytic domain of human PARP1 after 5 mins by surface plasmon resonance assay


Citation and Details
More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM138298
PNG
(US8877944, 7)
Show SMILES NC(=O)c1cccc2CN(C3CCN(CC3)C3CCC(F)(F)CC3)C(=O)c12
Show InChI InChI=1S/C20H25F2N3O2/c21-20(22)8-4-14(5-9-20)24-10-6-15(7-11-24)25-12-13-2-1-3-16(18(23)26)17(13)19(25)27/h1-3,14-15H,4-12H2,(H2,23,26)
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n/an/an/a 16n/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human HisGST-tagged PARP-1 catalytic domain by surface plasmon resonance analysis


Citation and Details
More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM27533
PNG
(4-(3-(1,4-diazepane-1-carbonyl)-4-fluorobenzyl)pht...)
Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3ccccc23)cc1C(=O)N1CCCNCC1
Show InChI InChI=1S/C21H21FN4O2/c22-18-7-6-14(12-17(18)21(28)26-10-3-8-23-9-11-26)13-19-15-4-1-2-5-16(15)20(27)25-24-19/h1-2,4-7,12,23H,3,8-11,13H2,(H,25,27)
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n/an/an/a 19n/an/an/an/an/a



Institutet

Curated by ChEMBL


Assay Description
Binding affinity to human PARP1 by isothermal titration colorimetry


Citation and Details
More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM240713
PNG
(US9422243, 11)
Show SMILES NCCOc1c([nH]c(=O)c2cc(F)ccc12)-c1cccc(c1)C#N
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n/an/an/a 20n/an/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L. a corporation

US Patent


Assay Description
The identification of compounds capable of binding several PARP proteins is carried out through a screening method including the steps of a) provi...


US Patent US9422243 (2016)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM124960
PNG
(US8765972, 19)
Show SMILES CC1N(C2CCN(Cc3ccc[nH]3)CC2)C(=O)c2c1cccc2C(N)=O
Show InChI InChI=1S/C20H24N4O2/c1-13-16-5-2-6-17(19(21)25)18(16)20(26)24(13)15-7-10-23(11-8-15)12-14-4-3-9-22-14/h2-6,9,13,15,22H,7-8,10-12H2,1H3,(H2,21,25)
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n/an/an/a 20n/an/an/an/an/a



Nerviano Medical Sciences S.r.l.

US Patent


Assay Description
Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...


US Patent US8765972 (2014)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM240720
PNG
(US9422243, 20)
Show SMILES NCCOc1c([nH]c(=O)c2cc(F)ccc12)-c1ccc2OCOc2c1
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n/an/an/a 20n/an/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L. a corporation

US Patent


Assay Description
The identification of compounds capable of binding several PARP proteins is carried out through a screening method including the steps of a) provi...


US Patent US9422243 (2016)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM167426
PNG
(US9073893, 62)
Show SMILES NC(=O)c1cccc2[nH]n(C3CCN(Cc4cccs4)CC3)c(=O)c12
Show InChI InChI=1S/C18H20N4O2S/c19-17(23)14-4-1-5-15-16(14)18(24)22(20-15)12-6-8-21(9-7-12)11-13-3-2-10-25-13/h1-5,10,12,20H,6-9,11H2,(H2,19,23)
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n/an/an/a 22n/an/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L.

US Patent


Assay Description
Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...


US Patent US9073893 (2015)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM167425
PNG
(US9073893, 33)
Show SMILES Cn1n(C2CCN(CC3CCCCC3)CC2)c(=O)c2c(cccc12)C(N)=O
Show InChI InChI=1S/C21H30N4O2/c1-23-18-9-5-8-17(20(22)26)19(18)21(27)25(23)16-10-12-24(13-11-16)14-15-6-3-2-4-7-15/h5,8-9,15-16H,2-4,6-7,10-14H2,1H3,(H2,22,26)
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n/an/an/a 22n/an/an/an/an/a



NERVIANO MEDICAL SCIENCES S.R.L.

US Patent


Assay Description
Affinity evaluation of the tested compounds and their selectivity with respect to the different PARP isoforms of interest was assessed in a displacem...


US Patent US9073893 (2015)

More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM50110838
PNG
(CHEMBL3605992)
Show SMILES CC(C)N1CCC(CC1)N1Cc2cccc(C(N)=O)c2C1=O
Show InChI InChI=1S/C17H23N3O2/c1-11(2)19-8-6-13(7-9-19)20-10-12-4-3-5-14(16(18)21)15(12)17(20)22/h3-5,11,13H,6-10H2,1-2H3,(H2,18,21)
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n/an/an/a<30n/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human PARP-1 by fluorescence polarization displacement assay


Citation and Details
More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM50110833
PNG
(CHEMBL3605983)
Show SMILES NC(=O)c1cccc2CN(CCN3CCc4ccccc4C3)C(=O)c12
Show InChI InChI=1S/C20H21N3O2/c21-19(24)17-7-3-6-16-13-23(20(25)18(16)17)11-10-22-9-8-14-4-1-2-5-15(14)12-22/h1-7H,8-13H2,(H2,21,24)
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n/an/an/a<30n/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human PARP-1 by fluorescence polarization displacement assay


Citation and Details
More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM50110835
PNG
(CHEMBL3605990)
Show SMILES CN1CCC(CC1)N1Cc2cccc(C(N)=O)c2C1=O
Show InChI InChI=1S/C15H19N3O2/c1-17-7-5-11(6-8-17)18-9-10-3-2-4-12(14(16)19)13(10)15(18)20/h2-4,11H,5-9H2,1H3,(H2,16,19)
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n/an/an/a<30n/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human PARP-1 by fluorescence polarization displacement assay


Citation and Details
More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM50110840
PNG
(CHEMBL3605994)
Show SMILES NC(=O)c1cccc2CN(C3CCN(CC4CC4)CC3)C(=O)c12
Show InChI InChI=1S/C18H23N3O2/c19-17(22)15-3-1-2-13-11-21(18(23)16(13)15)14-6-8-20(9-7-14)10-12-4-5-12/h1-3,12,14H,4-11H2,(H2,19,22)
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n/an/an/a<30n/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human PARP-1 by fluorescence polarization displacement assay


Citation and Details
More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM50110839
PNG
(CHEMBL3605993)
Show SMILES CC(C)CN1CCC(CC1)N1Cc2cccc(C(N)=O)c2C1=O
Show InChI InChI=1S/C18H25N3O2/c1-12(2)10-20-8-6-14(7-9-20)21-11-13-4-3-5-15(17(19)22)16(13)18(21)23/h3-5,12,14H,6-11H2,1-2H3,(H2,19,22)
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n/an/an/a<30n/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human PARP-1 by fluorescence polarization displacement assay


Citation and Details
More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM50110828
PNG
(CHEMBL3605974)
Show SMILES NC(=O)c1cccc2CN(CCc3ccccn3)C(=O)c12
Show InChI InChI=1S/C16H15N3O2/c17-15(20)13-6-3-4-11-10-19(16(21)14(11)13)9-7-12-5-1-2-8-18-12/h1-6,8H,7,9-10H2,(H2,17,20)
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n/an/an/a<30n/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human PARP-1 by fluorescence polarization displacement assay


Citation and Details
More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM138348
PNG
(US8877944, 99)
Show SMILES NC(=O)c1cc(F)cc2CN(C3CCN(CC3)C3CCC(F)(F)CC3)C(=O)c12
Show InChI InChI=1S/C20H24F3N3O2/c21-13-9-12-11-26(19(28)17(12)16(10-13)18(24)27)15-3-7-25(8-4-15)14-1-5-20(22,23)6-2-14/h9-10,14-15H,1-8,11H2,(H2,24,27)
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n/an/an/a<30n/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human PARP-1 by fluorescence polarization displacement assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM138298
PNG
(US8877944, 7)
Show SMILES NC(=O)c1cccc2CN(C3CCN(CC3)C3CCC(F)(F)CC3)C(=O)c12
Show InChI InChI=1S/C20H25F2N3O2/c21-20(22)8-4-14(5-9-20)24-10-6-15(7-11-24)25-12-13-2-1-3-16(18(23)26)17(13)19(25)27/h1-3,14-15H,4-12H2,(H2,23,26)
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n/an/an/a<30n/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human PARP-1 by fluorescence polarization displacement assay


Citation and Details
More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM138354
PNG
(US8877944, 105)
Show SMILES NC(=O)c1cc(F)cc2CN(C3CCN(CC3)C3CCC(Cl)(Cl)CC3)C(=O)c12
Show InChI InChI=1S/C20H24Cl2FN3O2/c21-20(22)5-1-14(2-6-20)25-7-3-15(4-8-25)26-11-12-9-13(23)10-16(18(24)27)17(12)19(26)28/h9-10,14-15H,1-8,11H2,(H2,24,27)
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n/an/an/a<30n/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human PARP-1 by fluorescence polarization displacement assay


Citation and Details
More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM138350
PNG
(US8877944, 100)
Show SMILES NC(=O)c1cc(Cl)cc2CN(C3CCN(CC3)C3CCC(F)(F)CC3)C(=O)c12
Show InChI InChI=1S/C20H24ClF2N3O2/c21-13-9-12-11-26(19(28)17(12)16(10-13)18(24)27)15-3-7-25(8-4-15)14-1-5-20(22,23)6-2-14/h9-10,14-15H,1-8,11H2,(H2,24,27)
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Article
PubMed
n/an/an/a<30n/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human PARP-1 by fluorescence polarization displacement assay


Citation and Details
More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM50110836
PNG
(CHEMBL3606017)
Show SMILES NC(=O)c1cccc2CN(C3CCN(CC3)C3CCOCC3)C(=O)c12
Show InChI InChI=1S/C19H25N3O3/c20-18(23)16-3-1-2-13-12-22(19(24)17(13)16)15-4-8-21(9-5-15)14-6-10-25-11-7-14/h1-3,14-15H,4-12H2,(H2,20,23)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/a<30n/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human PARP-1 by fluorescence polarization displacement assay


Citation and Details
More data for this
Ligand-Target Pair
poly-ADP-ribose polymerase 1 (PARP1)


(Homo sapiens (human))
BDBM138325
PNG
(US8877944, 29)
Show SMILES NC(=O)c1cccc2CN(C3CCN(Cc4ccc5[nH]ccc5c4)CC3)C(=O)c12
Show InChI InChI=1S/C23H24N4O2/c24-22(28)19-3-1-2-17-14-27(23(29)21(17)19)18-7-10-26(11-8-18)13-15-4-5-20-16(12-15)6-9-25-20/h1-6,9,12,18,25H,7-8,10-11,13-14H2,(H2,24,28)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/a<30n/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human PARP-1 by fluorescence polarization displacement assay


Citation and Details
More data for this
Ligand-Target Pair
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