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Compile Data Set for Download or QSAR

Found 33 hits Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' AND taxid = 10116   
Target
(Institution)
LigandTarget
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


(Rattus norvegicus)
BDBM50276150
PNG
(2-(2,2,6,6-Tetramethyl-1,2,3,6-tetrahydropyridin-4...)
Show SMILES CC1(C)CC(=CC(C)(C)N1)c1nc2cccc(C(N)=O)c2[nH]1
Show InChI InChI=1S/C17H22N4O/c1-16(2)8-10(9-17(3,4)21-16)15-19-12-7-5-6-11(14(18)22)13(12)20-15/h5-8,21H,9H2,1-4H3,(H2,18,22)(H,19,20)
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n/an/a 14n/an/an/an/an/an/a



University of Pecs

Curated by ChEMBL


Assay Description
Inhibition of rat liver PARP1 by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Rattus norvegicus)
BDBM50276874
PNG
(2-(1-Oxyl-2,2,6,6-tetramethyl-1,2,3,6-tetrahydropy...)
Show SMILES CC1(C)CC(=CC(C)(C)N1O)c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C17H22N4O2/c1-16(2)8-10(9-17(3,4)21(16)23)15-19-12-7-5-6-11(14(18)22)13(12)20-15/h5-8,23H,9H2,1-4H3,(H2,18,22)(H,19,20)
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n/an/a 26n/an/an/an/an/an/a



University of Pecs

Curated by ChEMBL


Assay Description
Inhibition of rat liver PARP1 by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Rattus norvegicus)
BDBM50276945
PNG
(2-(1,2,2,5,5-pentamethyl-2,5-dihydro-1H-pyrrol-3-y...)
Show SMILES CN1C(C)(C)C=C(c2nc3c(cccc3[nH]2)C(N)=O)C1(C)C
Show InChI InChI=1S/C17H22N4O/c1-16(2)9-11(17(3,4)21(16)5)15-19-12-8-6-7-10(14(18)22)13(12)20-15/h6-9H,1-5H3,(H2,18,22)(H,19,20)
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n/an/a 42n/an/an/an/an/an/a



University of Pecs

Curated by ChEMBL


Assay Description
Inhibition of rat liver PARP1 by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Rattus norvegicus)
BDBM50276946
PNG
(2-(1-Acetyl-2,2,5,5-pentamethyl-2,5-dihydro-1H-pyr...)
Show SMILES CC(=O)N1C(C)(C)C=C(c2nc3c(cccc3[nH]2)C(N)=O)C1(C)C
Show InChI InChI=1S/C18H22N4O2/c1-10(23)22-17(2,3)9-12(18(22,4)5)16-20-13-8-6-7-11(15(19)24)14(13)21-16/h6-9H,1-5H3,(H2,19,24)(H,20,21)
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n/an/a 49n/an/an/an/an/an/a



University of Pecs

Curated by ChEMBL


Assay Description
Inhibition of rat liver PARP1 by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Rattus norvegicus)
BDBM50276947
PNG
(2-(1-Methoxy-2,2,5,5-pentamethyl-2,5-dihydro-1H-py...)
Show SMILES CON1C(C)(C)C=C(c2nc3c(cccc3[nH]2)C(N)=O)C1(C)C
Show InChI InChI=1S/C17H22N4O2/c1-16(2)9-11(17(3,4)21(16)23-5)15-19-12-8-6-7-10(14(18)22)13(12)20-15/h6-9H,1-5H3,(H2,18,22)(H,19,20)
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n/an/a 61n/an/an/an/an/an/a



University of Pecs

Curated by ChEMBL


Assay Description
Inhibition of rat liver PARP1 by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Rattus norvegicus)
BDBM50276872
PNG
(2-[4-(1-Oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-py...)
Show SMILES CC1(C)C=C(c2ccc(cc2)-c2nc3c(cccc3[nH]2)C(N)=O)C(C)(C)N1O
Show InChI InChI=1S/C22H24N4O2/c1-21(2)12-16(22(3,4)26(21)28)13-8-10-14(11-9-13)20-24-17-7-5-6-15(19(23)27)18(17)25-20/h5-12,28H,1-4H3,(H2,23,27)(H,24,25)
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n/an/a 78n/an/an/an/an/an/a



University of Pecs

Curated by ChEMBL


Assay Description
Inhibition of rat liver PARP1 by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Rattus norvegicus)
BDBM50276148
PNG
(2-[4-(2,2,5,5-Tetramethyl-2,5-dihydro-1H-pyrrol-3-...)
Show SMILES CC1(C)NC(C)(C)C(=C1)c1ccc(cc1)-c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C22H24N4O/c1-21(2)12-16(22(3,4)26-21)13-8-10-14(11-9-13)20-24-17-7-5-6-15(19(23)27)18(17)25-20/h5-12,26H,1-4H3,(H2,23,27)(H,24,25)
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n/an/a 98n/an/an/an/an/an/a



University of Pecs

Curated by ChEMBL


Assay Description
Inhibition of rat liver PARP1 by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Rattus norvegicus)
BDBM50276112
PNG
(2-[4-(3-Trifluoromethylphenyl)-2,2,5,5-tetramethyl...)
Show SMILES CC1(C)NC(C)(C)C(=C1c1nc2c(cccc2[nH]1)C(N)=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H23F3N4O/c1-21(2)16(12-7-5-8-13(11-12)23(24,25)26)17(22(3,4)30-21)20-28-15-10-6-9-14(19(27)31)18(15)29-20/h5-11,30H,1-4H3,(H2,27,31)(H,28,29)
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n/an/a 133n/an/an/an/an/an/a



University of Pecs

Curated by ChEMBL


Assay Description
Inhibition of rat liver PARP1 by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Rattus norvegicus)
BDBM50276110
PNG
(2-(4-Bromo-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrr...)
Show SMILES CC1(C)NC(C)(C)C(=C1Br)c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C16H19BrN4O/c1-15(2)10(12(17)16(3,4)21-15)14-19-9-7-5-6-8(13(18)22)11(9)20-14/h5-7,21H,1-4H3,(H2,18,22)(H,19,20)
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n/an/a 137n/an/an/an/an/an/a



University of Pecs

Curated by ChEMBL


Assay Description
Inhibition of rat liver PARP1 by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Rattus norvegicus)
BDBM50276201
PNG
(2-[1-Oxyl-4-(3-trifluoromethylphenyl)-2,2,5,5-tetr...)
Show SMILES CC1(C)N(O)C(C)(C)C(=C1c1nc2c(cccc2[nH]1)C(N)=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C23H23F3N4O2/c1-21(2)16(12-7-5-8-13(11-12)23(24,25)26)17(22(3,4)30(21)32)20-28-15-10-6-9-14(19(27)31)18(15)29-20/h5-11,32H,1-4H3,(H2,27,31)(H,28,29)
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n/an/a 149n/an/an/an/an/an/a



University of Pecs

Curated by ChEMBL


Assay Description
Inhibition of rat liver PARP1 by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Rattus norvegicus)
BDBM50276199
PNG
(2-(4-Bromo-1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-...)
Show SMILES CC1(C)N(O)C(C)(C)C(=C1Br)c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C16H19BrN4O2/c1-15(2)10(12(17)16(3,4)21(15)23)14-19-9-7-5-6-8(13(18)22)11(9)20-14/h5-7,23H,1-4H3,(H2,18,22)(H,19,20)
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n/an/a 201n/an/an/an/an/an/a



University of Pecs

Curated by ChEMBL


Assay Description
Inhibition of rat liver PARP1 by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Rattus norvegicus)
BDBM50276109
PNG
(4-(4-Carbamoyl-1H-benzimidazol-2-yl)-2,2,5,5-tetra...)
Show SMILES COC(=O)[C@@H]1[C@@H](c2nc3c(cccc3[nH]2)C(N)=O)C(C)(C)NC1(C)C
Show InChI InChI=1S/C18H24N4O3/c1-17(2)11(12(16(24)25-5)18(3,4)22-17)15-20-10-8-6-7-9(14(19)23)13(10)21-15/h6-8,11-12,22H,1-5H3,(H2,19,23)(H,20,21)/t11-,12-/m0/s1
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n/an/a 216n/an/an/an/an/an/a



University of Pecs

Curated by ChEMBL


Assay Description
Inhibition of rat liver PARP1 by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Rattus norvegicus)
BDBM50276111
PNG
(2-(4-Phenyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyr...)
Show SMILES CC1(C)NC(C)(C)C(=C1c1nc2c(cccc2[nH]1)C(N)=O)c1ccccc1
Show InChI InChI=1S/C22H24N4O/c1-21(2)16(13-9-6-5-7-10-13)17(22(3,4)26-21)20-24-15-12-8-11-14(19(23)27)18(15)25-20/h5-12,26H,1-4H3,(H2,23,27)(H,24,25)
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n/an/a 310n/an/an/an/an/an/a



University of Pecs

Curated by ChEMBL


Assay Description
Inhibition of rat liver PARP1 by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Rattus norvegicus)
BDBM50276108
PNG
(2-(2,2,5,5-Tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)...)
Show SMILES CC1(C)NC(C)(C)C(=C1)c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C16H20N4O/c1-15(2)8-10(16(3,4)20-15)14-18-11-7-5-6-9(13(17)21)12(11)19-14/h5-8,20H,1-4H3,(H2,17,21)(H,18,19)
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n/an/a 345n/an/an/an/an/an/a



University of Pecs

Curated by ChEMBL


Assay Description
Inhibition of rat liver PARP1 by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Rattus norvegicus)
BDBM50276203
PNG
(2-(4,4,6,6-Tetramethyl-5,6-dihydro-4H-thieno[3,4-c...)
Show SMILES CC1(C)NC(C)(C)c2sc(cc12)-c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C18H20N4OS/c1-17(2)10-8-12(24-14(10)18(3,4)22-17)16-20-11-7-5-6-9(15(19)23)13(11)21-16/h5-8,22H,1-4H3,(H2,19,23)(H,20,21)
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n/an/a 354n/an/an/an/an/an/a



University of Pecs

Curated by ChEMBL


Assay Description
Inhibition of rat liver PARP1 by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Rattus norvegicus)
BDBM50276202
PNG
(2-[4-(2,2,5,5-Tetramethyl-2,5-dihydro-1H-pyrrol-3-...)
Show SMILES COc1cc(ccc1OCC1=CC(C)(C)NC1(C)C)-c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C24H28N4O3/c1-23(2)12-15(24(3,4)28-23)13-31-18-10-9-14(11-19(18)30-5)22-26-17-8-6-7-16(21(25)29)20(17)27-22/h6-12,28H,13H2,1-5H3,(H2,25,29)(H,26,27)
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n/an/a 432n/an/an/an/an/an/a



University of Pecs

Curated by ChEMBL


Assay Description
Inhibition of rat liver PARP1 by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Rattus norvegicus)
BDBM50276204
PNG
(2-(1,1,3,3-Tetramethyl-2,3-dihydro-1H-isoindol-5-y...)
Show SMILES CC1(C)NC(C)(C)c2cc(ccc12)-c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C20H22N4O/c1-19(2)13-9-8-11(10-14(13)20(3,4)24-19)18-22-15-7-5-6-12(17(21)25)16(15)23-18/h5-10,24H,1-4H3,(H2,21,25)(H,22,23)
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n/an/a 450n/an/an/an/an/an/a



University of Pecs

Curated by ChEMBL


Assay Description
Inhibition of rat liver PARP1 by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Rattus norvegicus)
BDBM50276205
PNG
(2-(1,1,3,3-Tetramethyl-2,3-dihydro-1H-pyrrolo[3,4-...)
Show SMILES CC1(C)NC(C)(C)c2cc(ncc12)-c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C19H21N5O/c1-18(2)11-8-14(21-9-12(11)19(3,4)24-18)17-22-13-7-5-6-10(16(20)25)15(13)23-17/h5-9,24H,1-4H3,(H2,20,25)(H,22,23)
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n/an/a 470n/an/an/an/an/an/a



University of Pecs

Curated by ChEMBL


Assay Description
Inhibition of rat liver PARP1 by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Rattus norvegicus)
BDBM50276943
PNG
(2-[4-(1-Oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-py...)
Show SMILES COc1cc(ccc1OCC1=CC(C)(C)N(O)C1(C)C)-c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C24H28N4O4/c1-23(2)12-15(24(3,4)28(23)30)13-32-18-10-9-14(11-19(18)31-5)22-26-17-8-6-7-16(21(25)29)20(17)27-22/h6-12,30H,13H2,1-5H3,(H2,25,29)(H,26,27)
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n/an/a 472n/an/an/an/an/an/a



University of Pecs

Curated by ChEMBL


Assay Description
Inhibition of rat liver PARP1 by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Rattus norvegicus)
BDBM50276875
PNG
(2-[4-(1-Oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-py...)
Show SMILES CC1(C)C=C(COc2ccc(cc2)-c2nc3c(cccc3[nH]2)C(N)=O)C(C)(C)N1O
Show InChI InChI=1S/C23H26N4O3/c1-22(2)12-15(23(3,4)27(22)29)13-30-16-10-8-14(9-11-16)21-25-18-7-5-6-17(20(24)28)19(18)26-21/h5-12,29H,13H2,1-4H3,(H2,24,28)(H,25,26)
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n/an/a 564n/an/an/an/an/an/a



University of Pecs

Curated by ChEMBL


Assay Description
Inhibition of rat liver PARP1 by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Rattus norvegicus)
BDBM50276151
PNG
(2-[4-(2,2,5,5-Tetramethyl-2,5-dihydro-1H-pyrrol-3-...)
Show SMILES CC1(C)NC(C)(C)C(COc2ccc(cc2)-c2nc3c(cccc3[nH]2)C(N)=O)=C1
Show InChI InChI=1S/C23H26N4O2/c1-22(2)12-15(23(3,4)27-22)13-29-16-10-8-14(9-11-16)21-25-18-7-5-6-17(20(24)28)19(18)26-21/h5-12,27H,13H2,1-4H3,(H2,24,28)(H,25,26)
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n/an/a 572n/an/an/an/an/an/a



University of Pecs

Curated by ChEMBL


Assay Description
Inhibition of rat liver PARP1 by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Rattus norvegicus)
BDBM50276197
PNG
(2-(1-Oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrro...)
Show SMILES CC1(C)CC(c2nc3cccc(C(N)=O)c3[nH]2)C(C)(C)N1O
Show InChI InChI=1S/C16H22N4O2/c1-15(2)8-10(16(3,4)20(15)22)14-18-11-7-5-6-9(13(17)21)12(11)19-14/h5-7,10,22H,8H2,1-4H3,(H2,17,21)(H,18,19)
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n/an/a 721n/an/an/an/an/an/a



University of Pecs

Curated by ChEMBL


Assay Description
Inhibition of rat liver PARP1 by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Rattus norvegicus)
BDBM50276200
PNG
(2-(1-Oxyl-4-phenyl-2,2,5,5-tetramethyl-2,5-dihydro...)
Show SMILES CC1(C)N(O)C(C)(C)C(=C1c1nc2c(cccc2[nH]1)C(N)=O)c1ccccc1
Show InChI InChI=1S/C22H24N4O2/c1-21(2)16(13-9-6-5-7-10-13)17(22(3,4)26(21)28)20-24-15-12-8-11-14(19(23)27)18(15)25-20/h5-12,28H,1-4H3,(H2,23,27)(H,24,25)
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of Pecs

Curated by ChEMBL


Assay Description
Inhibition of rat liver PARP1 by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Rattus norvegicus)
BDBM50276149
PNG
(2-[4-Dibenzofuran-4-yl-2,2,5,5-tetramethyl-2,5-dih...)
Show SMILES CC1(C)NC(C)(C)C(=C1c1nc2c(cccc2[nH]1)C(N)=O)c1cccc2c3ccccc3oc12
Show InChI InChI=1S/C28H26N4O2/c1-27(2)21(17-11-7-10-16-15-9-5-6-14-20(15)34-24(16)17)22(28(3,4)32-27)26-30-19-13-8-12-18(25(29)33)23(19)31-26/h5-14,32H,1-4H3,(H2,29,33)(H,30,31)
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n/an/a 1.80E+3n/an/an/an/an/an/a



University of Pecs

Curated by ChEMBL


Assay Description
Inhibition of rat liver PARP1 by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Rattus norvegicus)
BDBM50276873
PNG
(2-[4-Dibenzofuran-4-yl-1-oxyl-2,2,5,5-tetramethyl-...)
Show SMILES CC1(C)N(O)C(C)(C)C(=C1c1nc2c(cccc2[nH]1)C(N)=O)c1cccc2c3ccccc3oc12
Show InChI InChI=1S/C28H26N4O3/c1-27(2)21(17-11-7-10-16-15-9-5-6-14-20(15)35-24(16)17)22(28(3,4)32(27)34)26-30-19-13-8-12-18(25(29)33)23(19)31-26/h5-14,34H,1-4H3,(H2,29,33)(H,30,31)
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n/an/a 1.80E+3n/an/an/an/an/an/a



University of Pecs

Curated by ChEMBL


Assay Description
Inhibition of rat liver PARP1 by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Rattus norvegicus)
BDBM50276114
PNG
(2-((2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl...)
Show SMILES CC1(C)NC(C)(C)C(CSc2nc3cccc(C(N)=O)c3[nH]2)=C1
Show InChI InChI=1S/C17H22N4OS/c1-16(2)8-10(17(3,4)21-16)9-23-15-19-12-7-5-6-11(14(18)22)13(12)20-15/h5-8,21H,9H2,1-4H3,(H2,18,22)(H,19,20)
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PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



University of Pecs

Curated by ChEMBL


Assay Description
Inhibition of rat liver PARP1 by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Rattus norvegicus)
BDBM50276944
PNG
(2-(5-Oxyl-4,4,6,6-tetramethyl-5,6-dihydro-4H-thien...)
Show SMILES CC1(C)N(O)C(C)(C)c2sc(cc12)-c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C18H20N4O2S/c1-17(2)10-8-12(25-14(10)18(3,4)22(17)24)16-20-11-7-5-6-9(15(19)23)13(11)21-16/h5-8,24H,1-4H3,(H2,19,23)(H,20,21)
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n/an/a 3.40E+3n/an/an/an/an/an/a



University of Pecs

Curated by ChEMBL


Assay Description
Inhibition of rat liver PARP1 by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Rattus norvegicus)
BDBM50276113
PNG
(2-((2,2,6,6-tetramethyl-1,2,3,6-tetrahydropyridin-...)
Show SMILES CC1(C)CC(CSc2nc3cccc(C(N)=O)c3[nH]2)=CC(C)(C)N1
Show InChI InChI=1S/C18H24N4OS/c1-17(2)8-11(9-18(3,4)22-17)10-24-16-20-13-7-5-6-12(15(19)23)14(13)21-16/h5-8,22H,9-10H2,1-4H3,(H2,19,23)(H,20,21)
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PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



University of Pecs

Curated by ChEMBL


Assay Description
Inhibition of rat liver PARP1 by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Rattus norvegicus)
BDBM50413274
PNG
(CHEMBL2094004)
Show SMILES CC1(C)CC(CSc2nc3cccc(C(N)=O)c3[nH]2)=CC(C)(C)N1O
Show InChI InChI=1S/C18H24N4O2S/c1-17(2)8-11(9-18(3,4)22(17)24)10-25-16-20-13-7-5-6-12(15(19)23)14(13)21-16/h5-8,24H,9-10H2,1-4H3,(H2,19,23)(H,20,21)
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of Pecs

Curated by ChEMBL


Assay Description
Inhibition of rat liver PARP1 by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Rattus norvegicus)
BDBM50413275
PNG
(CHEMBL2094005)
Show SMILES CC1(C)C=C(CSc2nc3cccc(C(N)=O)c3[nH]2)C(C)(C)N1O
Show InChI InChI=1S/C17H22N4O2S/c1-16(2)8-10(17(3,4)21(16)23)9-24-15-19-12-7-5-6-11(14(18)22)13(12)20-15/h5-8,23H,9H2,1-4H3,(H2,18,22)(H,19,20)
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n/an/a 6.00E+3n/an/an/an/an/an/a



University of Pecs

Curated by ChEMBL


Assay Description
Inhibition of rat liver PARP1 by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Rattus norvegicus)
BDBM50276116
PNG
(2-(1-Oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrro...)
Show SMILES CC(C)NC(=O)c1cccc2nc([nH]c12)C1=CC(C)(C)N(O)C1(C)C
Show InChI InChI=1S/C19H26N4O2/c1-11(2)20-17(24)12-8-7-9-14-15(12)22-16(21-14)13-10-18(3,4)23(25)19(13,5)6/h7-11,25H,1-6H3,(H,20,24)(H,21,22)
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PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



University of Pecs

Curated by ChEMBL


Assay Description
Inhibition of rat liver PARP1 by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Rattus norvegicus)
BDBM50276115
PNG
(1-(1-Oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrro...)
Show SMILES CC1(C)C=C(Cn2cnc3c(cccc23)C(N)=O)C(C)(C)N1O
Show InChI InChI=1S/C17H22N4O2/c1-16(2)8-11(17(3,4)21(16)23)9-20-10-19-14-12(15(18)22)6-5-7-13(14)20/h5-8,10,23H,9H2,1-4H3,(H2,18,22)
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of Pecs

Curated by ChEMBL


Assay Description
Inhibition of rat liver PARP1 by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Rattus norvegicus)
BDBM50276152
PNG
(2-(2,2,5,5-Tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)...)
Show SMILES CC(C)NC(=O)c1cccc2nc([nH]c12)C1=CC(C)(C)NC1(C)C
Show InChI InChI=1S/C19H26N4O/c1-11(2)20-17(24)12-8-7-9-14-15(12)22-16(21-14)13-10-18(3,4)23-19(13,5)6/h7-11,23H,1-6H3,(H,20,24)(H,21,22)
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PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



University of Pecs

Curated by ChEMBL


Assay Description
Inhibition of rat liver PARP1 by scintillation counting


Citation and Details
More data for this
Ligand-Target Pair