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Compile Data Set for Download or QSAR

Found 20 hits of kd data for polymerid = 5692   
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 (ARTD3 or PARP3)


(Homo sapiens)
BDBM240720
PNG
(US9422243, 20)
Show SMILES NCCOc1c([nH]c(=O)c2cc(F)ccc12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C18H15FN2O4/c19-11-2-3-12-13(8-11)18(22)21-16(17(12)23-6-5-20)10-1-4-14-15(7-10)25-9-24-14/h1-4,7-8H,5-6,9,20H2,(H,21,22)
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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
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens)
BDBM240716
PNG
(US9422243, 14)
Show SMILES NCCOc1c([nH]c(=O)c2cc(F)ccc12)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H13Cl2FN2O2/c18-13-4-1-9(7-14(13)19)15-16(24-6-5-21)11-3-2-10(20)8-12(11)17(23)22-15/h1-4,7-8H,5-6,21H2,(H,22,23)
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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
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens)
BDBM240719
PNG
(US9422243, 19)
Show SMILES NCCOc1c([nH]c(=O)c2cc(F)ccc12)-c1ccc2OCCOc2c1
Show InChI InChI=1S/C19H17FN2O4/c20-12-2-3-13-14(10-12)19(23)22-17(18(13)26-6-5-21)11-1-4-15-16(9-11)25-8-7-24-15/h1-4,9-10H,5-8,21H2,(H,22,23)
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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
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens)
BDBM240718
PNG
(US9422243, 18)
Show SMILES NCCOc1c([nH]c(=O)c2cc(F)ccc12)-c1ccc(N2CCCC2)c(Br)c1
Show InChI InChI=1S/C21H21BrFN3O2/c22-17-11-13(3-6-18(17)26-8-1-2-9-26)19-20(28-10-7-24)15-5-4-14(23)12-16(15)21(27)25-19/h3-6,11-12H,1-2,7-10,24H2,(H,25,27)
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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
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens)
BDBM240717
PNG
(US9422243, 15)
Show SMILES NCCOc1c([nH]c(=O)c2cc(F)ccc12)-c1ccc(F)c(F)c1
Show InChI InChI=1S/C17H13F3N2O2/c18-10-2-3-11-12(8-10)17(23)22-15(16(11)24-6-5-21)9-1-4-13(19)14(20)7-9/h1-4,7-8H,5-6,21H2,(H,22,23)
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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
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens)
BDBM240714
PNG
(US9422243, 12)
Show SMILES NCCOc1c([nH]c(=O)c2c(F)c(F)ccc12)-c1ccc(Br)cc1
Show InChI InChI=1S/C17H13BrF2N2O2/c18-10-3-1-9(2-4-10)15-16(24-8-7-21)11-5-6-12(19)14(20)13(11)17(23)22-15/h1-6H,7-8,21H2,(H,22,23)
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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
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens)
BDBM240713
PNG
(US9422243, 11)
Show SMILES NCCOc1c([nH]c(=O)c2cc(F)ccc12)-c1cccc(c1)C#N
Show InChI InChI=1S/C18H14FN3O2/c19-13-4-5-14-15(9-13)18(23)22-16(17(14)24-7-6-20)12-3-1-2-11(8-12)10-21/h1-5,8-9H,6-7,20H2,(H,22,23)
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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
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens)
BDBM240704
PNG
(US9422243, 1)
Show SMILES NCCOc1c([nH]c(=O)c2cc(F)ccc12)-c1ccc(Br)cc1
Show InChI InChI=1S/C17H14BrFN2O2/c18-11-3-1-10(2-4-11)15-16(23-8-7-20)13-6-5-12(19)9-14(13)17(22)21-15/h1-6,9H,7-8,20H2,(H,21,22)
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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
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens)
BDBM240711
PNG
(US9422243, 8)
Show SMILES NCCOc1c([nH]c(=O)c2cc(F)ccc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H14ClFN2O2/c18-11-3-1-10(2-4-11)15-16(23-8-7-20)13-6-5-12(19)9-14(13)17(22)21-15/h1-6,9H,7-8,20H2,(H,21,22)
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n/an/an/a 30n/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
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens)
BDBM240715
PNG
(US9422243, 13)
Show SMILES Cc1cc(ccc1Cl)-c1[nH]c(=O)c2cc(F)ccc2c1OCCN
Show InChI InChI=1S/C18H16ClFN2O2/c1-10-8-11(2-5-15(10)19)16-17(24-7-6-21)13-4-3-12(20)9-14(13)18(23)22-16/h2-5,8-9H,6-7,21H2,1H3,(H,22,23)
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n/an/an/a 34n/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
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens)
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 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 (ARTD3 or PARP3)


(Homo sapiens)
BDBM240721
PNG
(US9422243, 21)
Show SMILES COc1ccc(cc1F)-c1[nH]c(=O)c2cc(F)ccc2c1OCCN
Show InChI InChI=1S/C18H16F2N2O3/c1-24-15-5-2-10(8-14(15)20)16-17(25-7-6-21)12-4-3-11(19)9-13(12)18(23)22-16/h2-5,8-9H,6-7,21H2,1H3,(H,22,23)
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n/an/an/a 50n/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
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens)
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 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 (ARTD3 or PARP3)


(Homo sapiens)
BDBM240712
PNG
(US9422243, 10)
Show SMILES NCCOc1c([nH]c(=O)c2cc(F)ccc12)-c1ccc(F)cc1
Show InChI InChI=1S/C17H14F2N2O2/c18-11-3-1-10(2-4-11)15-16(23-8-7-20)13-6-5-12(19)9-14(13)17(22)21-15/h1-6,9H,7-8,20H2,(H,21,22)
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n/an/an/a 70n/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
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens)
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 70n/an/an/an/an/a



Institutet

Curated by ChEMBL


Assay Description
Binding affinity to human PARP3 PARP domain by isothermal titration colorimetry


J Med Chem 52: 3108-11 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens)
BDBM240707
PNG
(US9422243, 4)
Show SMILES NCCOc1c([nH]c(=O)c2cc(F)ccc12)-c1ccc(N2CCOCC2)c(Br)c1
Show InChI InChI=1S/C21H21BrFN3O3/c22-17-11-13(1-4-18(17)26-6-9-28-10-7-26)19-20(29-8-5-24)15-3-2-14(23)12-16(15)21(27)25-19/h1-4,11-12H,5-10,24H2,(H,25,27)
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n/an/an/a 90n/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
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens)
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 270n/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 (ARTD3 or PARP3)


(Homo sapiens)
BDBM27497
PNG
(2-(dimethylamino)-N-(6-oxo-5,6-dihydrophenanthridi...)
Show SMILES CN(C)CC(=O)Nc1ccc2[nH]c(=O)c3ccccc3c2c1
Show InChI InChI=1S/C17H17N3O2/c1-20(2)10-16(21)18-11-7-8-15-14(9-11)12-5-3-4-6-13(12)17(22)19-15/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22)
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n/an/an/a 700n/an/an/an/an/a



Institutet

Curated by ChEMBL


Assay Description
Binding affinity to human PARP3 PARP domain by isothermal titration colorimetry


J Med Chem 52: 3108-11 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens)
BDBM50277614
PNG
(2-methyl-3,5,7,8-tetrahydro-4H-thiopyrano[4,3-d]py...)
Show SMILES Cc1nc2CCSCc2c(=O)[nH]1
Show InChI InChI=1S/C8H10N2OS/c1-5-9-7-2-3-12-4-6(7)8(11)10-5/h2-4H2,1H3,(H,9,10,11)
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n/an/an/a 2.00E+3n/an/an/an/an/a



Institutet

Curated by ChEMBL


Assay Description
Binding affinity to human PARP3 PARP domain by isothermal titration colorimetry


J Med Chem 52: 3108-11 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)


(Homo sapiens)
BDBM50226518
PNG
(3-Aminobenzoesaeure | 3-aminobenzoic acid | CHEMBL...)
Show SMILES Nc1cccc(c1)C(O)=O
Show InChI InChI=1S/C7H7NO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H,9,10)
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n/an/an/a>2.00E+3n/an/an/an/an/a



Institutet

Curated by ChEMBL


Assay Description
Binding affinity to human PARP3 PARP domain by isothermal titration colorimetry


J Med Chem 52: 3108-11 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)