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Compile Data Set for Download or QSAR

Found 58 hits of kd data for polymerid = 7439   
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
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(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 0.280n/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human HisGST-tagged PARP-2 catalytic domain by surface plasmon resonance analysis


J Med Chem 58: 6875-98 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(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 5.80n/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human HisGST-tagged PARP-2 catalytic domain by surface plasmon resonance analysis


J Med Chem 58: 6875-98 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(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-2 by fluorescence polarization displacement assay


J Med Chem 58: 6875-98 (2015)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(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 30n/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
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(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 33n/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human PARP-2 by fluorescence polarization displacement assay


J Med Chem 58: 6875-98 (2015)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM167415
PNG
(US9073893, 8)
Show SMILES CN1CCC(CC1)n1[nH]c2cccc(C(N)=O)c2c1=O
Show InChI InChI=1S/C14H18N4O2/c1-17-7-5-9(6-8-17)18-14(20)12-10(13(15)19)3-2-4-11(12)16-18/h2-4,9,16H,5-8H2,1H3,(H2,15,19)
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n/an/an/a 40n/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
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(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 50n/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
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(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 70n/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
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(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 75n/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human PARP-2 by fluorescence polarization displacement assay


J Med Chem 58: 6875-98 (2015)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(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 118n/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human HisGST-tagged PARP-2 catalytic domain by surface plasmon resonance analysis


J Med Chem 58: 6875-98 (2015)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM50110824
PNG
(CHEMBL3605967)
Show SMILES COCCCN1Cc2cccc(C(N)=O)c2C1=O
Show InChI InChI=1S/C13H16N2O3/c1-18-7-3-6-15-8-9-4-2-5-10(12(14)16)11(9)13(15)17/h2,4-5H,3,6-8H2,1H3,(H2,14,16)
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n/an/an/a 125n/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human PARP-2 by fluorescence polarization displacement assay


J Med Chem 58: 6875-98 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(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 140n/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
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM50110826
PNG
(CHEMBL3605972)
Show SMILES NC(=O)c1cccc2CN(CCc3ccccc3)C(=O)c12
Show InChI InChI=1S/C17H16N2O2/c18-16(20)14-8-4-7-13-11-19(17(21)15(13)14)10-9-12-5-2-1-3-6-12/h1-8H,9-11H2,(H2,18,20)
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n/an/an/a 178n/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human PARP-2 by fluorescence polarization displacement assay


J Med Chem 58: 6875-98 (2015)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(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 264n/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human PARP-2 by fluorescence polarization displacement assay


J Med Chem 58: 6875-98 (2015)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM50110827
PNG
(CHEMBL3605973)
Show SMILES NC(=O)c1cccc2CN(CCCc3ccccc3)C(=O)c12
Show InChI InChI=1S/C18H18N2O2/c19-17(21)15-10-4-9-14-12-20(18(22)16(14)15)11-5-8-13-6-2-1-3-7-13/h1-4,6-7,9-10H,5,8,11-12H2,(H2,19,21)
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n/an/an/a 286n/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human PARP-2 by fluorescence polarization displacement assay


J Med Chem 58: 6875-98 (2015)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(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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US Patent
n/an/an/a 300n/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
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM50110837
PNG
(CHEMBL3605991)
Show SMILES CCN1CCC(CC1)N1Cc2cccc(C(N)=O)c2C1=O
Show InChI InChI=1S/C16H21N3O2/c1-2-18-8-6-12(7-9-18)19-10-11-4-3-5-13(15(17)20)14(11)16(19)21/h3-5,12H,2,6-10H2,1H3,(H2,17,20)
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n/an/an/a 340n/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human PARP-2 by fluorescence polarization displacement assay


J Med Chem 58: 6875-98 (2015)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM50110832
PNG
(CHEMBL3605982)
Show SMILES NC(=O)c1cccc2CN(CCN3CCCc4ccccc34)C(=O)c12
Show InChI InChI=1S/C20H21N3O2/c21-19(24)16-8-3-6-15-13-23(20(25)18(15)16)12-11-22-10-4-7-14-5-1-2-9-17(14)22/h1-3,5-6,8-9H,4,7,10-13H2,(H2,21,24)
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n/an/an/a 420n/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human PARP-2 by fluorescence polarization displacement assay


J Med Chem 58: 6875-98 (2015)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM50110823
PNG
(CHEMBL1329044)
Show SMILES CCCN1Cc2cccc(C(N)=O)c2C1=O
Show InChI InChI=1S/C12H14N2O2/c1-2-6-14-7-8-4-3-5-9(11(13)15)10(8)12(14)16/h3-5H,2,6-7H2,1H3,(H2,13,15)
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n/an/an/a 422n/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human PARP-2 by fluorescence polarization displacement assay


J Med Chem 58: 6875-98 (2015)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(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 441n/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human PARP-2 by fluorescence polarization displacement assay


J Med Chem 58: 6875-98 (2015)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(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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US Patent
n/an/an/a 500n/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
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(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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US Patent
n/an/an/a 540n/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
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM50110825
PNG
(CHEMBL3605970)
Show SMILES NC(=O)c1cccc2CN(CCO)C(=O)c12
Show InChI InChI=1S/C11H12N2O3/c12-10(15)8-3-1-2-7-6-13(4-5-14)11(16)9(7)8/h1-3,14H,4-6H2,(H2,12,15)
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n/an/an/a 575n/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human PARP-2 by fluorescence polarization displacement assay


J Med Chem 58: 6875-98 (2015)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM50110813
PNG
(CHEMBL3606012)
Show SMILES NC(=O)c1cccc2CN(C3CCN(Cc4ccoc4)CC3)C(=O)c12
Show InChI InChI=1S/C19H21N3O3/c20-18(23)16-3-1-2-14-11-22(19(24)17(14)16)15-4-7-21(8-5-15)10-13-6-9-25-12-13/h1-3,6,9,12,15H,4-5,7-8,10-11H2,(H2,20,23)
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n/an/an/a 583n/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human PARP-2 by fluorescence polarization displacement assay


J Med Chem 58: 6875-98 (2015)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM50110831
PNG
(CHEMBL3605981)
Show SMILES NC(=O)c1cccc2CN(CCCN3CCC(Cc4ccccc4)CC3)C(=O)c12
Show InChI InChI=1S/C24H29N3O2/c25-23(28)21-9-4-8-20-17-27(24(29)22(20)21)13-5-12-26-14-10-19(11-15-26)16-18-6-2-1-3-7-18/h1-4,6-9,19H,5,10-17H2,(H2,25,28)
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n/an/an/a 670n/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human PARP-2 by fluorescence polarization displacement assay


J Med Chem 58: 6875-98 (2015)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM167408
PNG
(US9073893, 1)
Show SMILES NC(=O)c1cccc2[nH]n(C3CCNCC3)c(=O)c12
Show InChI InChI=1S/C13H16N4O2/c14-12(18)9-2-1-3-10-11(9)13(19)17(16-10)8-4-6-15-7-5-8/h1-3,8,15-16H,4-7H2,(H2,14,18)
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US Patent
n/an/an/a 780n/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
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM50113460
PNG
(CHEMBL3606013)
Show SMILES NC(=O)c1cccc2CN(C3CCN(Cc4ccc[nH]4)CC3)C(=O)c12
Show InChI InChI=1S/C19H22N4O2/c20-18(24)16-5-1-3-13-11-23(19(25)17(13)16)15-6-9-22(10-7-15)12-14-4-2-8-21-14/h1-5,8,15,21H,6-7,9-12H2,(H2,20,24)
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n/an/an/a 983n/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human PARP-2 by fluorescence polarization displacement assay


J Med Chem 58: 6875-98 (2015)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM138342
PNG
(US8877944, 47)
Show SMILES Cc1ccc(CN2CCC(CN3Cc4cccc(C(N)=O)c4C3=O)CC2)cc1
Show InChI InChI=1S/C23H27N3O2/c1-16-5-7-17(8-6-16)13-25-11-9-18(10-12-25)14-26-15-19-3-2-4-20(22(24)27)21(19)23(26)28/h2-8,18H,9-15H2,1H3,(H2,24,27)
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n/an/an/a 1.11E+3n/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human PARP-2 by fluorescence polarization displacement assay


J Med Chem 58: 6875-98 (2015)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(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 1.22E+3n/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human HisGST-tagged PARP-2 catalytic domain by surface plasmon resonance analysis


J Med Chem 58: 6875-98 (2015)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(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 1.39E+3n/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human HisGST-tagged PARP-2 catalytic domain by surface plasmon resonance analysis


J Med Chem 58: 6875-98 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM50110810
PNG
(CHEMBL3606009)
Show SMILES NC(=O)c1cccc2CN(C3CCN(Cc4cccs4)CC3)C(=O)c12
Show InChI InChI=1S/C19H21N3O2S/c20-18(23)16-5-1-3-13-11-22(19(24)17(13)16)14-6-8-21(9-7-14)12-15-4-2-10-25-15/h1-5,10,14H,6-9,11-12H2,(H2,20,23)
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n/an/an/a 1.44E+3n/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human PARP-2 by fluorescence polarization displacement assay


J Med Chem 58: 6875-98 (2015)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM167409
PNG
(US9073893, 2)
Show SMILES NC(=O)c1cccc2[nH]n(C3CCN(CC3)C3CCCC3)c(=O)c12
Show InChI InChI=1S/C18H24N4O2/c19-17(23)14-6-3-7-15-16(14)18(24)22(20-15)13-8-10-21(11-9-13)12-4-1-2-5-12/h3,6-7,12-13,20H,1-2,4-5,8-11H2,(H2,19,23)
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US Patent
n/an/an/a 1.49E+3n/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
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM50110812
PNG
(CHEMBL3606011)
Show SMILES NC(=O)c1cccc2CN(C3CCN(Cc4ccco4)CC3)C(=O)c12
Show InChI InChI=1S/C19H21N3O3/c20-18(23)16-5-1-3-13-11-22(19(24)17(13)16)14-6-8-21(9-7-14)12-15-4-2-10-25-15/h1-5,10,14H,6-9,11-12H2,(H2,20,23)
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n/an/an/a 1.70E+3n/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human PARP-2 by fluorescence polarization displacement assay


J Med Chem 58: 6875-98 (2015)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(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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US Patent
n/an/an/a 1.88E+3n/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
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM138317
PNG
(US8877944, 21)
Show SMILES NC(=O)c1cccc2CN(C3CCN(Cc4cccc(Br)c4)CC3)C(=O)c12
Show InChI InChI=1S/C21H22BrN3O2/c22-16-5-1-3-14(11-16)12-24-9-7-17(8-10-24)25-13-15-4-2-6-18(20(23)26)19(15)21(25)27/h1-6,11,17H,7-10,12-13H2,(H2,23,26)
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n/an/an/a 2.29E+3n/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human PARP-2 by fluorescence polarization displacement assay


J Med Chem 58: 6875-98 (2015)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM138318
PNG
(US8877944, 22)
Show SMILES NC(=O)c1cccc2CN(C3CCN(Cc4ccc(Br)cc4)CC3)C(=O)c12
Show InChI InChI=1S/C21H22BrN3O2/c22-16-6-4-14(5-7-16)12-24-10-8-17(9-11-24)25-13-15-2-1-3-18(20(23)26)19(15)21(25)27/h1-7,17H,8-13H2,(H2,23,26)
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n/an/an/a 2.43E+3n/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human PARP-2 by fluorescence polarization displacement assay


J Med Chem 58: 6875-98 (2015)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM138324
PNG
(US8877944, 28)
Show SMILES NC(=O)c1cccc2CN(C3CCN(Cc4cccc5[nH]ccc45)CC3)C(=O)c12
Show InChI InChI=1S/C23H24N4O2/c24-22(28)19-5-1-4-16-14-27(23(29)21(16)19)17-8-11-26(12-9-17)13-15-3-2-6-20-18(15)7-10-25-20/h1-7,10,17,25H,8-9,11-14H2,(H2,24,28)
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n/an/an/a 2.51E+3n/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human PARP-2 by fluorescence polarization displacement assay


J Med Chem 58: 6875-98 (2015)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM138344
PNG
(US8877944, 49)
Show SMILES Cc1cccc(CN2CCC(CN3Cc4cccc(C(N)=O)c4C3=O)CC2)c1
Show InChI InChI=1S/C23H27N3O2/c1-16-4-2-5-18(12-16)13-25-10-8-17(9-11-25)14-26-15-19-6-3-7-20(22(24)27)21(19)23(26)28/h2-7,12,17H,8-11,13-15H2,1H3,(H2,24,27)
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n/an/an/a 2.60E+3n/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human PARP-2 by fluorescence polarization displacement assay


J Med Chem 58: 6875-98 (2015)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(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)
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n/an/an/a 3.02E+3n/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human PARP-2 by fluorescence polarization displacement assay


J Med Chem 58: 6875-98 (2015)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM50110830
PNG
(CHEMBL3605978)
Show SMILES NC(=O)c1cccc2CN(CCCN3CCCCC3)C(=O)c12
Show InChI InChI=1S/C17H23N3O2/c18-16(21)14-7-4-6-13-12-20(17(22)15(13)14)11-5-10-19-8-2-1-3-9-19/h4,6-7H,1-3,5,8-12H2,(H2,18,21)
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n/an/an/a 3.36E+3n/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human PARP-2 by fluorescence polarization displacement assay


J Med Chem 58: 6875-98 (2015)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM138311
PNG
(US8877944, 15)
Show SMILES NC(=O)c1cccc2CN(C3CCN(Cc4ccc(cc4)C(F)(F)F)CC3)C(=O)c12
Show InChI InChI=1S/C22H22F3N3O2/c23-22(24,25)16-6-4-14(5-7-16)12-27-10-8-17(9-11-27)28-13-15-2-1-3-18(20(26)29)19(15)21(28)30/h1-7,17H,8-13H2,(H2,26,29)
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n/an/an/a 3.63E+3n/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human PARP-2 by fluorescence polarization displacement assay


J Med Chem 58: 6875-98 (2015)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM50110811
PNG
(CHEMBL3606010)
Show SMILES NC(=O)c1cccc2CN(C3CCN(Cc4ccsc4)CC3)C(=O)c12
Show InChI InChI=1S/C19H21N3O2S/c20-18(23)16-3-1-2-14-11-22(19(24)17(14)16)15-4-7-21(8-5-15)10-13-6-9-25-12-13/h1-3,6,9,12,15H,4-5,7-8,10-11H2,(H2,20,23)
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n/an/an/a 3.70E+3n/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human PARP-2 by fluorescence polarization displacement assay


J Med Chem 58: 6875-98 (2015)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(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 3.94E+3n/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human PARP-2 by fluorescence polarization displacement assay


J Med Chem 58: 6875-98 (2015)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM167423
PNG
(US9073893, 23)
Show SMILES NC(=O)c1cc(F)cc2[nH]n(C3CCN(CC3)C3CCCCC3)c(=O)c12
Show InChI InChI=1S/C19H25FN4O2/c20-12-10-15(18(21)25)17-16(11-12)22-24(19(17)26)14-6-8-23(9-7-14)13-4-2-1-3-5-13/h10-11,13-14,22H,1-9H2,(H2,21,25)
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US Patent
n/an/an/a 5.00E+3n/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
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(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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PubMed
n/an/an/a 5.78E+3n/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human PARP-2 by fluorescence polarization displacement assay


J Med Chem 58: 6875-98 (2015)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM50110829
PNG
(CHEMBL3605976)
Show SMILES NC(=O)c1cccc2CN(CCCN3CCOCC3)C(=O)c12
Show InChI InChI=1S/C16H21N3O3/c17-15(20)13-4-1-3-12-11-19(16(21)14(12)13)6-2-5-18-7-9-22-10-8-18/h1,3-4H,2,5-11H2,(H2,17,20)
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n/an/an/a 5.87E+3n/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human PARP-2 by fluorescence polarization displacement assay


J Med Chem 58: 6875-98 (2015)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM50110808
PNG
(CHEMBL3606007)
Show SMILES NC(=O)c1cccc2CN(C3CCN(Cc4cccnc4)CC3)C(=O)c12
Show InChI InChI=1S/C20H22N4O2/c21-19(25)17-5-1-4-15-13-24(20(26)18(15)17)16-6-9-23(10-7-16)12-14-3-2-8-22-11-14/h1-5,8,11,16H,6-7,9-10,12-13H2,(H2,21,25)
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n/an/an/a 6.80E+3n/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human PARP-2 by fluorescence polarization displacement assay


J Med Chem 58: 6875-98 (2015)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM50110841
PNG
(CHEMBL3605999)
Show SMILES NC(=O)c1cccc2CN(C3CCN(Cc4ccccc4Br)CC3)C(=O)c12
Show InChI InChI=1S/C21H22BrN3O2/c22-18-7-2-1-4-14(18)12-24-10-8-16(9-11-24)25-13-15-5-3-6-17(20(23)26)19(15)21(25)27/h1-7,16H,8-13H2,(H2,23,26)
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n/an/an/a 6.92E+3n/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human PARP-2 by fluorescence polarization displacement assay


J Med Chem 58: 6875-98 (2015)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM138321
PNG
(US8877944, 25)
Show SMILES Cc1cccc(CN2CCC(CC2)N2Cc3cccc(C(N)=O)c3C2=O)c1
Show InChI InChI=1S/C22H25N3O2/c1-15-4-2-5-16(12-15)13-24-10-8-18(9-11-24)25-14-17-6-3-7-19(21(23)26)20(17)22(25)27/h2-7,12,18H,8-11,13-14H2,1H3,(H2,23,26)
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n/an/an/a 8.71E+3n/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human PARP-2 by fluorescence polarization displacement assay


J Med Chem 58: 6875-98 (2015)

More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM138327
PNG
(US8877944, 31)
Show SMILES Cc1ccc(CN2CCC(CC2)N2Cc3cccc(C(N)=O)c3C2=O)cc1
Show InChI InChI=1S/C22H25N3O2/c1-15-5-7-16(8-6-15)13-24-11-9-18(10-12-24)25-14-17-3-2-4-19(21(23)26)20(17)22(25)27/h2-8,18H,9-14H2,1H3,(H2,23,26)
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n/an/an/a 8.99E+3n/an/an/an/an/a



Nerviano Medical Sciences Srl

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human PARP-2 by fluorescence polarization displacement assay


J Med Chem 58: 6875-98 (2015)

More data for this
Ligand-Target Pair
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