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PubMed code 26088338

Compile data set for download or QSAR
Found 50 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
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


(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=1/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-/s2
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n/an/a 5n/an/an/an/an/an/a



University of Malaya

Curated by ChEMBL


Assay Description
Inhibition of PARP-1 (unknown origin) assessed as incorporation of biotinylated poly (ADP-ribose) onto histone protein after 60 mins by TACS-Sapphire...


Bioorg Med Chem 23: 4669-80 (2015)


Article DOI: 10.1016/j.bmc.2015.05.051
BindingDB Entry DOI: 10.7270/Q2S75J2K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM15339
PNG
(6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methyl-qui...)
Show SMILES Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1F
Show InChI InChI=1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28)
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n/an/a 12n/an/an/an/an/an/a



University of Malaya

Curated by ChEMBL


Assay Description
Inhibition of DHODH (unknown origin) using L-DHO, DUQ, DCIP as substrate preincubated for 30 mins followed by substrate addition measured after 20 mi...


Bioorg Med Chem 23: 4669-80 (2015)


Article DOI: 10.1016/j.bmc.2015.05.051
BindingDB Entry DOI: 10.7270/Q2S75J2K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50096208
PNG
(CHEMBL3593982)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1ccc(nc1)C(=O)N1CCCC1
Show InChI InChI=1S/C24H21N5O2/c25-22(30)18-4-3-5-19-21(18)28-23(27-19)16-8-6-15(7-9-16)17-10-11-20(26-14-17)24(31)29-12-1-2-13-29/h3-11,14H,1-2,12-13H2,(H2,25,30)(H,27,28)
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n/an/a 12n/an/an/an/an/an/a



University of Malaya

Curated by ChEMBL


Assay Description
Inhibition of PARP-1 (unknown origin) assessed as incorporation of biotinylated poly (ADP-ribose) onto histone protein after 60 mins by TACS-Sapphire...


Bioorg Med Chem 23: 4669-80 (2015)


Article DOI: 10.1016/j.bmc.2015.05.051
BindingDB Entry DOI: 10.7270/Q2S75J2K
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50096200
PNG
(CHEMBL3593806)
Show SMILES CC(=O)Nc1ccc(COc2ccc(cc2)-c2ccc(cc2)-c2nc3c(cc(C)cc3[nH]2)C(O)=O)cc1
Show InChI InChI=1S/C30H25N3O4/c1-18-15-26(30(35)36)28-27(16-18)32-29(33-28)23-7-5-21(6-8-23)22-9-13-25(14-10-22)37-17-20-3-11-24(12-4-20)31-19(2)34/h3-16H,17H2,1-2H3,(H,31,34)(H,32,33)(H,35,36)
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n/an/a 13n/an/an/an/an/an/a



University of Malaya

Curated by ChEMBL


Assay Description
Inhibition of DHODH (unknown origin) using L-DHO, DUQ, DCIP as substrate preincubated for 30 mins followed by substrate addition measured after 20 mi...


Bioorg Med Chem 23: 4669-80 (2015)


Article DOI: 10.1016/j.bmc.2015.05.051
BindingDB Entry DOI: 10.7270/Q2S75J2K
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50300015
PNG
(2-(4-(Pyridin-3-yl)phenyl)-1H-benzo[d]imidazole-4-...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C19H14N4O/c20-18(24)15-4-1-5-16-17(15)23-19(22-16)13-8-6-12(7-9-13)14-3-2-10-21-11-14/h1-11H,(H2,20,24)(H,22,23)
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n/an/a 22n/an/an/an/an/an/a



University of Malaya

Curated by ChEMBL


Assay Description
Inhibition of PARP-1 (unknown origin) assessed as incorporation of biotinylated poly (ADP-ribose) onto histone protein after 60 mins by TACS-Sapphire...


Bioorg Med Chem 23: 4669-80 (2015)


Article DOI: 10.1016/j.bmc.2015.05.051
BindingDB Entry DOI: 10.7270/Q2S75J2K
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50096199
PNG
(CHEMBL3593805)
Show SMILES CC(=O)Nc1cccc(COc2ccc(cc2)-c2ccc(cc2)-c2nc3c(cc(C)cc3[nH]2)C(O)=O)c1
Show InChI InChI=1S/C30H25N3O4/c1-18-14-26(30(35)36)28-27(15-18)32-29(33-28)23-8-6-21(7-9-23)22-10-12-25(13-11-22)37-17-20-4-3-5-24(16-20)31-19(2)34/h3-16H,17H2,1-2H3,(H,31,34)(H,32,33)(H,35,36)
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n/an/a 28n/an/an/an/an/an/a



University of Malaya

Curated by ChEMBL


Assay Description
Inhibition of DHODH (unknown origin) using L-DHO, DUQ, DCIP as substrate preincubated for 30 mins followed by substrate addition measured after 20 mi...


Bioorg Med Chem 23: 4669-80 (2015)


Article DOI: 10.1016/j.bmc.2015.05.051
BindingDB Entry DOI: 10.7270/Q2S75J2K
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50096204
PNG
(CHEMBL3593813)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1cncc(c1)C(=O)N1CCCC1
Show InChI InChI=1S/C24H21N5O2/c25-22(30)19-4-3-5-20-21(19)28-23(27-20)16-8-6-15(7-9-16)17-12-18(14-26-13-17)24(31)29-10-1-2-11-29/h3-9,12-14H,1-2,10-11H2,(H2,25,30)(H,27,28)
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n/an/a 29n/an/an/an/an/an/a



University of Malaya

Curated by ChEMBL


Assay Description
Inhibition of PARP-1 (unknown origin) assessed as incorporation of biotinylated poly (ADP-ribose) onto histone protein after 60 mins by TACS-Sapphire...


Bioorg Med Chem 23: 4669-80 (2015)


Article DOI: 10.1016/j.bmc.2015.05.051
BindingDB Entry DOI: 10.7270/Q2S75J2K
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50096203
PNG
(CHEMBL3593812)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1ccc(N)nc1
Show InChI InChI=1S/C19H15N5O/c20-16-9-8-13(10-22-16)11-4-6-12(7-5-11)19-23-15-3-1-2-14(18(21)25)17(15)24-19/h1-10H,(H2,20,22)(H2,21,25)(H,23,24)
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n/an/a 32n/an/an/an/an/an/a



University of Malaya

Curated by ChEMBL


Assay Description
Inhibition of PARP-1 (unknown origin) assessed as incorporation of biotinylated poly (ADP-ribose) onto histone protein after 60 mins by TACS-Sapphire...


Bioorg Med Chem 23: 4669-80 (2015)


Article DOI: 10.1016/j.bmc.2015.05.051
BindingDB Entry DOI: 10.7270/Q2S75J2K
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50096145
PNG
(CHEMBL3593989)
Show SMILES CC(=O)Nc1ccc(cn1)-c1ccc(cc1)-c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C21H17N5O2/c1-12(27)24-18-10-9-15(11-23-18)13-5-7-14(8-6-13)21-25-17-4-2-3-16(20(22)28)19(17)26-21/h2-11H,1H3,(H2,22,28)(H,25,26)(H,23,24,27)
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n/an/a 49n/an/an/an/an/an/a



University of Malaya

Curated by ChEMBL


Assay Description
Inhibition of PARP-1 (unknown origin) assessed as incorporation of biotinylated poly (ADP-ribose) onto histone protein after 60 mins by TACS-Sapphire...


Bioorg Med Chem 23: 4669-80 (2015)


Article DOI: 10.1016/j.bmc.2015.05.051
BindingDB Entry DOI: 10.7270/Q2S75J2K
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50096146
PNG
(CHEMBL3593990)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1cncc(CN2CCCC2)c1
Show InChI InChI=1S/C24H23N5O/c25-23(30)20-4-3-5-21-22(20)28-24(27-21)18-8-6-17(7-9-18)19-12-16(13-26-14-19)15-29-10-1-2-11-29/h3-9,12-14H,1-2,10-11,15H2,(H2,25,30)(H,27,28)
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n/an/a 61n/an/an/an/an/an/a



University of Malaya

Curated by ChEMBL


Assay Description
Inhibition of PARP-1 (unknown origin) assessed as incorporation of biotinylated poly (ADP-ribose) onto histone protein after 60 mins by TACS-Sapphire...


Bioorg Med Chem 23: 4669-80 (2015)


Article DOI: 10.1016/j.bmc.2015.05.051
BindingDB Entry DOI: 10.7270/Q2S75J2K
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50300016
PNG
(2-(4-(Pyridin-2-yl)phenyl)-1H-benzo[d]imidazole-4-...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1ccccn1
Show InChI InChI=1S/C19H14N4O/c20-18(24)14-4-3-6-16-17(14)23-19(22-16)13-9-7-12(8-10-13)15-5-1-2-11-21-15/h1-11H,(H2,20,24)(H,22,23)
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n/an/a 83n/an/an/an/an/an/a



University of Malaya

Curated by ChEMBL


Assay Description
Inhibition of PARP-1 (unknown origin) assessed as incorporation of biotinylated poly (ADP-ribose) onto histone protein after 60 mins by TACS-Sapphire...


Bioorg Med Chem 23: 4669-80 (2015)


Article DOI: 10.1016/j.bmc.2015.05.051
BindingDB Entry DOI: 10.7270/Q2S75J2K
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50096149
PNG
(CHEMBL3593993)
Show SMILES NC(=O)c1cc(F)cc2[nH]c(nc12)-c1ccc(cc1F)-c1ccc(NC(=O)C2CC2)cc1F
Show InChI InChI=1S/C24H17F3N4O2/c25-13-8-17(22(28)32)21-20(9-13)30-23(31-21)16-5-3-12(7-18(16)26)15-6-4-14(10-19(15)27)29-24(33)11-1-2-11/h3-11H,1-2H2,(H2,28,32)(H,29,33)(H,30,31)
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n/an/a 84n/an/an/an/an/an/a



University of Malaya

Curated by ChEMBL


Assay Description
Inhibition of PARP-1 (unknown origin) assessed as incorporation of biotinylated poly (ADP-ribose) onto histone protein after 60 mins by TACS-Sapphire...


Bioorg Med Chem 23: 4669-80 (2015)


Article DOI: 10.1016/j.bmc.2015.05.051
BindingDB Entry DOI: 10.7270/Q2S75J2K
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50096207
PNG
(CHEMBL3593984)
Show SMILES CC(=O)Nc1ccccc1-c1ccc(cc1)-c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C22H18N4O2/c1-13(27)24-18-7-3-2-5-16(18)14-9-11-15(12-10-14)22-25-19-8-4-6-17(21(23)28)20(19)26-22/h2-12H,1H3,(H2,23,28)(H,24,27)(H,25,26)
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n/an/a 140n/an/an/an/an/an/a



University of Malaya

Curated by ChEMBL


Assay Description
Inhibition of PARP-1 (unknown origin) assessed as incorporation of biotinylated poly (ADP-ribose) onto histone protein after 60 mins by TACS-Sapphire...


Bioorg Med Chem 23: 4669-80 (2015)


Article DOI: 10.1016/j.bmc.2015.05.051
BindingDB Entry DOI: 10.7270/Q2S75J2K
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50096195
PNG
(CHEMBL3593251)
Show SMILES CC(=O)Nc1ccc(cc1)-c1ccc(cc1)-c1nc2c(cc(C)cc2[nH]1)C(O)=O
Show InChI InChI=1S/C23H19N3O3/c1-13-11-19(23(28)29)21-20(12-13)25-22(26-21)17-5-3-15(4-6-17)16-7-9-18(10-8-16)24-14(2)27/h3-12H,1-2H3,(H,24,27)(H,25,26)(H,28,29)
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n/an/a 210n/an/an/an/an/an/a



University of Malaya

Curated by ChEMBL


Assay Description
Inhibition of DHODH (unknown origin) using L-DHO, DUQ, DCIP as substrate preincubated for 30 mins followed by substrate addition measured after 20 mi...


Bioorg Med Chem 23: 4669-80 (2015)


Article DOI: 10.1016/j.bmc.2015.05.051
BindingDB Entry DOI: 10.7270/Q2S75J2K
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50096198
PNG
(CHEMBL3593804)
Show SMILES CC(=O)Nc1ccccc1COc1ccc(cc1)-c1ccc(cc1)-c1nc2c(cc(C)cc2[nH]1)C(O)=O
Show InChI InChI=1S/C30H25N3O4/c1-18-15-25(30(35)36)28-27(16-18)32-29(33-28)22-9-7-20(8-10-22)21-11-13-24(14-12-21)37-17-23-5-3-4-6-26(23)31-19(2)34/h3-16H,17H2,1-2H3,(H,31,34)(H,32,33)(H,35,36)
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n/an/a 300n/an/an/an/an/an/a



University of Malaya

Curated by ChEMBL


Assay Description
Inhibition of DHODH (unknown origin) using L-DHO, DUQ, DCIP as substrate preincubated for 30 mins followed by substrate addition measured after 20 mi...


Bioorg Med Chem 23: 4669-80 (2015)


Article DOI: 10.1016/j.bmc.2015.05.051
BindingDB Entry DOI: 10.7270/Q2S75J2K
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50096144
PNG
(CHEMBL3593987)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1ccc(cc1)C(=O)N1CCCC1
Show InChI InChI=1S/C25H22N4O2/c26-23(30)20-4-3-5-21-22(20)28-24(27-21)18-10-6-16(7-11-18)17-8-12-19(13-9-17)25(31)29-14-1-2-15-29/h3-13H,1-2,14-15H2,(H2,26,30)(H,27,28)
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n/an/a 310n/an/an/an/an/an/a



University of Malaya

Curated by ChEMBL


Assay Description
Inhibition of PARP-1 (unknown origin) assessed as incorporation of biotinylated poly (ADP-ribose) onto histone protein after 60 mins by TACS-Sapphire...


Bioorg Med Chem 23: 4669-80 (2015)


Article DOI: 10.1016/j.bmc.2015.05.051
BindingDB Entry DOI: 10.7270/Q2S75J2K
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50096142
PNG
(CHEMBL3593985)
Show SMILES CC(=O)Nc1cccc(c1)-c1ccc(cc1)-c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C22H18N4O2/c1-13(27)24-17-5-2-4-16(12-17)14-8-10-15(11-9-14)22-25-19-7-3-6-18(21(23)28)20(19)26-22/h2-12H,1H3,(H2,23,28)(H,24,27)(H,25,26)
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n/an/a 460n/an/an/an/an/an/a



University of Malaya

Curated by ChEMBL


Assay Description
Inhibition of PARP-1 (unknown origin) assessed as incorporation of biotinylated poly (ADP-ribose) onto histone protein after 60 mins by TACS-Sapphire...


Bioorg Med Chem 23: 4669-80 (2015)


Article DOI: 10.1016/j.bmc.2015.05.051
BindingDB Entry DOI: 10.7270/Q2S75J2K
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50300017
PNG
(2-(biphenyl-4-yl)-1H-benzo[d]imidazole-4-carboxami...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H15N3O/c21-19(24)16-7-4-8-17-18(16)23-20(22-17)15-11-9-14(10-12-15)13-5-2-1-3-6-13/h1-12H,(H2,21,24)(H,22,23)
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n/an/a 710n/an/an/an/an/an/a



University of Malaya

Curated by ChEMBL


Assay Description
Inhibition of PARP-1 (unknown origin) assessed as incorporation of biotinylated poly (ADP-ribose) onto histone protein after 60 mins by TACS-Sapphire...


Bioorg Med Chem 23: 4669-80 (2015)


Article DOI: 10.1016/j.bmc.2015.05.051
BindingDB Entry DOI: 10.7270/Q2S75J2K
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50096148
PNG
(CHEMBL3593992)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C27H28N4O2/c28-26(32)23-5-4-6-24-25(23)30-27(29-24)21-9-7-19(8-10-21)20-11-13-22(14-12-20)33-18-17-31-15-2-1-3-16-31/h4-14H,1-3,15-18H2,(H2,28,32)(H,29,30)
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n/an/a 720n/an/an/an/an/an/a



University of Malaya

Curated by ChEMBL


Assay Description
Inhibition of PARP-1 (unknown origin) assessed as incorporation of biotinylated poly (ADP-ribose) onto histone protein after 60 mins by TACS-Sapphire...


Bioorg Med Chem 23: 4669-80 (2015)


Article DOI: 10.1016/j.bmc.2015.05.051
BindingDB Entry DOI: 10.7270/Q2S75J2K
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM155397
PNG
(US9006454, I1)
Show SMILES OC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H14N2O2/c23-20(24)16-7-4-8-17-18(16)22-19(21-17)15-11-9-14(10-12-15)13-5-2-1-3-6-13/h1-12H,(H,21,22)(H,23,24)
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n/an/a 750n/an/an/an/an/an/a



University of Malaya

Curated by ChEMBL


Assay Description
Inhibition of human DHODH using L-DHO, DUQ, DCIP as substrate preincubated for 30 mins followed by substrate addition measured after 2 mins


Bioorg Med Chem 23: 4669-80 (2015)


Article DOI: 10.1016/j.bmc.2015.05.051
BindingDB Entry DOI: 10.7270/Q2S75J2K
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50096152
PNG
(CHEMBL3593996)
Show SMILES COc1cc(ccc1NC(=O)C1CC1)-c1ccc(-c2nc3c(cc(F)cc3[nH]2)C(N)=O)c(F)c1
Show InChI InChI=1S/C25H20F2N4O3/c1-34-21-9-14(5-7-19(21)30-25(33)12-2-3-12)13-4-6-16(18(27)8-13)24-29-20-11-15(26)10-17(23(28)32)22(20)31-24/h4-12H,2-3H2,1H3,(H2,28,32)(H,29,31)(H,30,33)
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n/an/a 980n/an/an/an/an/an/a



University of Malaya

Curated by ChEMBL


Assay Description
Inhibition of PARP-1 (unknown origin) assessed as incorporation of biotinylated poly (ADP-ribose) onto histone protein after 60 mins by TACS-Sapphire...


Bioorg Med Chem 23: 4669-80 (2015)


Article DOI: 10.1016/j.bmc.2015.05.051
BindingDB Entry DOI: 10.7270/Q2S75J2K
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50096151
PNG
(CHEMBL3593995)
Show SMILES NC(=O)c1cc(F)cc2[nH]c(nc12)-c1ccc(cc1F)-c1cccc(NC(=O)C2CC2)c1
Show InChI InChI=1S/C24H18F2N4O2/c25-15-10-18(22(27)31)21-20(11-15)29-23(30-21)17-7-6-14(9-19(17)26)13-2-1-3-16(8-13)28-24(32)12-4-5-12/h1-3,6-12H,4-5H2,(H2,27,31)(H,28,32)(H,29,30)
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n/an/a 1.28E+3n/an/an/an/an/an/a



University of Malaya

Curated by ChEMBL


Assay Description
Inhibition of PARP-1 (unknown origin) assessed as incorporation of biotinylated poly (ADP-ribose) onto histone protein after 60 mins by TACS-Sapphire...


Bioorg Med Chem 23: 4669-80 (2015)


Article DOI: 10.1016/j.bmc.2015.05.051
BindingDB Entry DOI: 10.7270/Q2S75J2K
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50096196
PNG
(CHEMBL3593802)
Show SMILES CC(=O)Nc1cccc(c1)-c1ccc(cc1)-c1nc2c(cc(C)cc2[nH]1)C(O)=O
Show InChI InChI=1S/C23H19N3O3/c1-13-10-19(23(28)29)21-20(11-13)25-22(26-21)16-8-6-15(7-9-16)17-4-3-5-18(12-17)24-14(2)27/h3-12H,1-2H3,(H,24,27)(H,25,26)(H,28,29)
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n/an/a 1.38E+3n/an/an/an/an/an/a



University of Malaya

Curated by ChEMBL


Assay Description
Inhibition of DHODH (unknown origin) using L-DHO, DUQ, DCIP as substrate preincubated for 30 mins followed by substrate addition measured after 20 mi...


Bioorg Med Chem 23: 4669-80 (2015)


Article DOI: 10.1016/j.bmc.2015.05.051
BindingDB Entry DOI: 10.7270/Q2S75J2K
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50096150
PNG
(CHEMBL3593994)
Show SMILES CCC(=O)Nc1ccc(cc1)-c1ccc(cc1)-c1nc2c(cc(F)cc2[nH]1)C(N)=O
Show InChI InChI=1S/C23H19FN4O2/c1-2-20(29)26-17-9-7-14(8-10-17)13-3-5-15(6-4-13)23-27-19-12-16(24)11-18(22(25)30)21(19)28-23/h3-12H,2H2,1H3,(H2,25,30)(H,26,29)(H,27,28)
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n/an/a 1.72E+3n/an/an/an/an/an/a



University of Malaya

Curated by ChEMBL


Assay Description
Inhibition of PARP-1 (unknown origin) assessed as incorporation of biotinylated poly (ADP-ribose) onto histone protein after 60 mins by TACS-Sapphire...


Bioorg Med Chem 23: 4669-80 (2015)


Article DOI: 10.1016/j.bmc.2015.05.051
BindingDB Entry DOI: 10.7270/Q2S75J2K
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50096147
PNG
(CHEMBL3593991)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1ccc(OCCCN2CCCCC2)cc1
Show InChI InChI=1S/C28H30N4O2/c29-27(33)24-6-4-7-25-26(24)31-28(30-25)22-10-8-20(9-11-22)21-12-14-23(15-13-21)34-19-5-18-32-16-2-1-3-17-32/h4,6-15H,1-3,5,16-19H2,(H2,29,33)(H,30,31)
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n/an/a 2.28E+3n/an/an/an/an/an/a



University of Malaya

Curated by ChEMBL


Assay Description
Inhibition of PARP-1 (unknown origin) assessed as incorporation of biotinylated poly (ADP-ribose) onto histone protein after 60 mins by TACS-Sapphire...


Bioorg Med Chem 23: 4669-80 (2015)


Article DOI: 10.1016/j.bmc.2015.05.051
BindingDB Entry DOI: 10.7270/Q2S75J2K
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50096194
PNG
(CHEMBL3593997)
Show SMILES COc1cc(ccc1NC(=O)C1CC1)-c1ccc(cc1)-c1nc2c(cc(F)cc2[nH]1)C(N)=O
Show InChI InChI=1S/C25H21FN4O3/c1-33-21-10-16(8-9-19(21)29-25(32)15-6-7-15)13-2-4-14(5-3-13)24-28-20-12-17(26)11-18(23(27)31)22(20)30-24/h2-5,8-12,15H,6-7H2,1H3,(H2,27,31)(H,28,30)(H,29,32)
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n/an/a 5.96E+3n/an/an/an/an/an/a



University of Malaya

Curated by ChEMBL


Assay Description
Inhibition of PARP-1 (unknown origin) assessed as incorporation of biotinylated poly (ADP-ribose) onto histone protein after 60 mins by TACS-Sapphire...


Bioorg Med Chem 23: 4669-80 (2015)


Article DOI: 10.1016/j.bmc.2015.05.051
BindingDB Entry DOI: 10.7270/Q2S75J2K
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50096202
PNG
(CHEMBL3593808)
Show SMILES Cc1cc(C(N)=O)c2nc([nH]c2c1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H17N3O/c1-13-11-17(20(22)25)19-18(12-13)23-21(24-19)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-12H,1H3,(H2,22,25)(H,23,24)
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n/an/a 7.80E+3n/an/an/an/an/an/a



University of Malaya

Curated by ChEMBL


Assay Description
Inhibition of DHODH (unknown origin) using L-DHO, DUQ, DCIP as substrate preincubated for 30 mins followed by substrate addition measured after 20 mi...


Bioorg Med Chem 23: 4669-80 (2015)


Article DOI: 10.1016/j.bmc.2015.05.051
BindingDB Entry DOI: 10.7270/Q2S75J2K
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50300017
PNG
(2-(biphenyl-4-yl)-1H-benzo[d]imidazole-4-carboxami...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H15N3O/c21-19(24)16-7-4-8-17-18(16)23-20(22-17)15-11-9-14(10-12-15)13-5-2-1-3-6-13/h1-12H,(H2,21,24)(H,22,23)
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n/an/a 9.80E+3n/an/an/an/an/an/a



University of Malaya

Curated by ChEMBL


Assay Description
Inhibition of DHODH (unknown origin) using L-DHO, DUQ, DCIP as substrate preincubated for 30 mins followed by substrate addition measured after 20 mi...


Bioorg Med Chem 23: 4669-80 (2015)


Article DOI: 10.1016/j.bmc.2015.05.051
BindingDB Entry DOI: 10.7270/Q2S75J2K
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50096198
PNG
(CHEMBL3593804)
Show SMILES CC(=O)Nc1ccccc1COc1ccc(cc1)-c1ccc(cc1)-c1nc2c(cc(C)cc2[nH]1)C(O)=O
Show InChI InChI=1S/C30H25N3O4/c1-18-15-25(30(35)36)28-27(16-18)32-29(33-28)22-9-7-20(8-10-22)21-11-13-24(14-12-21)37-17-23-5-3-4-6-26(23)31-19(2)34/h3-16H,17H2,1-2H3,(H,31,34)(H,32,33)(H,35,36)
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n/an/a 1.06E+4n/an/an/an/an/an/a



University of Malaya

Curated by ChEMBL


Assay Description
Inhibition of PARP-1 (unknown origin) assessed as incorporation of biotinylated poly (ADP-ribose) onto histone protein after 60 mins by TACS-Sapphire...


Bioorg Med Chem 23: 4669-80 (2015)


Article DOI: 10.1016/j.bmc.2015.05.051
BindingDB Entry DOI: 10.7270/Q2S75J2K
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50096143
PNG
(CHEMBL3593986)
Show SMILES CC(=O)Nc1ccc(cc1)-c1ccc(cc1)-c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C22H18N4O2/c1-13(27)24-17-11-9-15(10-12-17)14-5-7-16(8-6-14)22-25-19-4-2-3-18(21(23)28)20(19)26-22/h2-12H,1H3,(H2,23,28)(H,24,27)(H,25,26)
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n/an/a 1.60E+4n/an/an/an/an/an/a



University of Malaya

Curated by ChEMBL


Assay Description
Inhibition of PARP-1 (unknown origin) assessed as incorporation of biotinylated poly (ADP-ribose) onto histone protein after 60 mins by TACS-Sapphire...


Bioorg Med Chem 23: 4669-80 (2015)


Article DOI: 10.1016/j.bmc.2015.05.051
BindingDB Entry DOI: 10.7270/Q2S75J2K
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50096206
PNG
(CHEMBL3593983)
Show SMILES Cc1cc(C(N)=O)c2nc([nH]c2c1)-c1ccc(cc1)-c1ccc(nc1)C(=O)N1CCCC1
Show InChI InChI=1S/C25H23N5O2/c1-15-12-19(23(26)31)22-21(13-15)28-24(29-22)17-6-4-16(5-7-17)18-8-9-20(27-14-18)25(32)30-10-2-3-11-30/h4-9,12-14H,2-3,10-11H2,1H3,(H2,26,31)(H,28,29)
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n/an/a 1.70E+4n/an/an/an/an/an/a



University of Malaya

Curated by ChEMBL


Assay Description
Inhibition of PARP-1 (unknown origin) assessed as incorporation of biotinylated poly (ADP-ribose) onto histone protein after 60 mins by TACS-Sapphire...


Bioorg Med Chem 23: 4669-80 (2015)


Article DOI: 10.1016/j.bmc.2015.05.051
BindingDB Entry DOI: 10.7270/Q2S75J2K
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50300015
PNG
(2-(4-(Pyridin-3-yl)phenyl)-1H-benzo[d]imidazole-4-...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C19H14N4O/c20-18(24)15-4-1-5-16-17(15)23-19(22-16)13-8-6-12(7-9-13)14-3-2-10-21-11-14/h1-11H,(H2,20,24)(H,22,23)
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n/an/a 1.90E+4n/an/an/an/an/an/a



University of Malaya

Curated by ChEMBL


Assay Description
Inhibition of DHODH (unknown origin) using L-DHO, DUQ, DCIP as substrate preincubated for 30 mins followed by substrate addition measured after 20 mi...


Bioorg Med Chem 23: 4669-80 (2015)


Article DOI: 10.1016/j.bmc.2015.05.051
BindingDB Entry DOI: 10.7270/Q2S75J2K
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50096144
PNG
(CHEMBL3593987)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1ccc(cc1)C(=O)N1CCCC1
Show InChI InChI=1S/C25H22N4O2/c26-23(30)20-4-3-5-21-22(20)28-24(27-21)18-10-6-16(7-11-18)17-8-12-19(13-9-17)25(31)29-14-1-2-15-29/h3-13H,1-2,14-15H2,(H2,26,30)(H,27,28)
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n/an/a 2.00E+4n/an/an/an/an/an/a



University of Malaya

Curated by ChEMBL


Assay Description
Inhibition of DHODH (unknown origin) using L-DHO, DUQ, DCIP as substrate preincubated for 30 mins followed by substrate addition measured after 20 mi...


Bioorg Med Chem 23: 4669-80 (2015)


Article DOI: 10.1016/j.bmc.2015.05.051
BindingDB Entry DOI: 10.7270/Q2S75J2K
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50096203
PNG
(CHEMBL3593812)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1ccc(N)nc1
Show InChI InChI=1S/C19H15N5O/c20-16-9-8-13(10-22-16)11-4-6-12(7-5-11)19-23-15-3-1-2-14(18(21)25)17(15)24-19/h1-10H,(H2,20,22)(H2,21,25)(H,23,24)
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n/an/a 2.00E+4n/an/an/an/an/an/a



University of Malaya

Curated by ChEMBL


Assay Description
Inhibition of DHODH (unknown origin) using L-DHO, DUQ, DCIP as substrate preincubated for 30 mins followed by substrate addition measured after 20 mi...


Bioorg Med Chem 23: 4669-80 (2015)


Article DOI: 10.1016/j.bmc.2015.05.051
BindingDB Entry DOI: 10.7270/Q2S75J2K
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50096152
PNG
(CHEMBL3593996)
Show SMILES COc1cc(ccc1NC(=O)C1CC1)-c1ccc(-c2nc3c(cc(F)cc3[nH]2)C(N)=O)c(F)c1
Show InChI InChI=1S/C25H20F2N4O3/c1-34-21-9-14(5-7-19(21)30-25(33)12-2-3-12)13-4-6-16(18(27)8-13)24-29-20-11-15(26)10-17(23(28)32)22(20)31-24/h4-12H,2-3H2,1H3,(H2,28,32)(H,29,31)(H,30,33)
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n/an/a 2.30E+4n/an/an/an/an/an/a



University of Malaya

Curated by ChEMBL


Assay Description
Inhibition of DHODH (unknown origin) using L-DHO, DUQ, DCIP as substrate preincubated for 30 mins followed by substrate addition measured after 20 mi...


Bioorg Med Chem 23: 4669-80 (2015)


Article DOI: 10.1016/j.bmc.2015.05.051
BindingDB Entry DOI: 10.7270/Q2S75J2K
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50300016
PNG
(2-(4-(Pyridin-2-yl)phenyl)-1H-benzo[d]imidazole-4-...)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1ccccn1
Show InChI InChI=1S/C19H14N4O/c20-18(24)14-4-3-6-16-17(14)23-19(22-16)13-9-7-12(8-10-13)15-5-1-2-11-21-15/h1-11H,(H2,20,24)(H,22,23)
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n/an/a 2.80E+4n/an/an/an/an/an/a



University of Malaya

Curated by ChEMBL


Assay Description
Inhibition of DHODH (unknown origin) using L-DHO, DUQ, DCIP as substrate preincubated for 30 mins followed by substrate addition measured after 20 mi...


Bioorg Med Chem 23: 4669-80 (2015)


Article DOI: 10.1016/j.bmc.2015.05.051
BindingDB Entry DOI: 10.7270/Q2S75J2K
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50096204
PNG
(CHEMBL3593813)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1cncc(c1)C(=O)N1CCCC1
Show InChI InChI=1S/C24H21N5O2/c25-22(30)19-4-3-5-20-21(19)28-23(27-20)16-8-6-15(7-9-16)17-12-18(14-26-13-17)24(31)29-10-1-2-11-29/h3-9,12-14H,1-2,10-11H2,(H2,25,30)(H,27,28)
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n/an/a 2.80E+4n/an/an/an/an/an/a



University of Malaya

Curated by ChEMBL


Assay Description
Inhibition of DHODH (unknown origin) using L-DHO, DUQ, DCIP as substrate preincubated for 30 mins followed by substrate addition measured after 20 mi...


Bioorg Med Chem 23: 4669-80 (2015)


Article DOI: 10.1016/j.bmc.2015.05.051
BindingDB Entry DOI: 10.7270/Q2S75J2K
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50096148
PNG
(CHEMBL3593992)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C27H28N4O2/c28-26(32)23-5-4-6-24-25(23)30-27(29-24)21-9-7-19(8-10-21)20-11-13-22(14-12-20)33-18-17-31-15-2-1-3-16-31/h4-14H,1-3,15-18H2,(H2,28,32)(H,29,30)
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n/an/a 3.10E+4n/an/an/an/an/an/a



University of Malaya

Curated by ChEMBL


Assay Description
Inhibition of DHODH (unknown origin) using L-DHO, DUQ, DCIP as substrate preincubated for 30 mins followed by substrate addition measured after 20 mi...


Bioorg Med Chem 23: 4669-80 (2015)


Article DOI: 10.1016/j.bmc.2015.05.051
BindingDB Entry DOI: 10.7270/Q2S75J2K
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50096197
PNG
(CHEMBL3593803)
Show SMILES CC(=O)Nc1ccccc1-c1ccc(cc1)-c1nc2c(cc(C)cc2[nH]1)C(O)=O
Show InChI InChI=1S/C23H19N3O3/c1-13-11-18(23(28)29)21-20(12-13)25-22(26-21)16-9-7-15(8-10-16)17-5-3-4-6-19(17)24-14(2)27/h3-12H,1-2H3,(H,24,27)(H,25,26)(H,28,29)
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n/an/a 3.20E+4n/an/an/an/an/an/a



University of Malaya

Curated by ChEMBL


Assay Description
Inhibition of DHODH (unknown origin) using L-DHO, DUQ, DCIP as substrate preincubated for 30 mins followed by substrate addition measured after 20 mi...


Bioorg Med Chem 23: 4669-80 (2015)


Article DOI: 10.1016/j.bmc.2015.05.051
BindingDB Entry DOI: 10.7270/Q2S75J2K
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50096206
PNG
(CHEMBL3593983)
Show SMILES Cc1cc(C(N)=O)c2nc([nH]c2c1)-c1ccc(cc1)-c1ccc(nc1)C(=O)N1CCCC1
Show InChI InChI=1S/C25H23N5O2/c1-15-12-19(23(26)31)22-21(13-15)28-24(29-22)17-6-4-16(5-7-17)18-8-9-20(27-14-18)25(32)30-10-2-3-11-30/h4-9,12-14H,2-3,10-11H2,1H3,(H2,26,31)(H,28,29)
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n/an/a 3.70E+4n/an/an/an/an/an/a



University of Malaya

Curated by ChEMBL


Assay Description
Inhibition of DHODH (unknown origin) using L-DHO, DUQ, DCIP as substrate preincubated for 30 mins followed by substrate addition measured after 20 mi...


Bioorg Med Chem 23: 4669-80 (2015)


Article DOI: 10.1016/j.bmc.2015.05.051
BindingDB Entry DOI: 10.7270/Q2S75J2K
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50096151
PNG
(CHEMBL3593995)
Show SMILES NC(=O)c1cc(F)cc2[nH]c(nc12)-c1ccc(cc1F)-c1cccc(NC(=O)C2CC2)c1
Show InChI InChI=1S/C24H18F2N4O2/c25-15-10-18(22(27)31)21-20(11-15)29-23(30-21)17-7-6-14(9-19(17)26)13-2-1-3-16(8-13)28-24(32)12-4-5-12/h1-3,6-12H,4-5H2,(H2,27,31)(H,28,32)(H,29,30)
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n/an/a 3.80E+4n/an/an/an/an/an/a



University of Malaya

Curated by ChEMBL


Assay Description
Inhibition of DHODH (unknown origin) using L-DHO, DUQ, DCIP as substrate preincubated for 30 mins followed by substrate addition measured after 20 mi...


Bioorg Med Chem 23: 4669-80 (2015)


Article DOI: 10.1016/j.bmc.2015.05.051
BindingDB Entry DOI: 10.7270/Q2S75J2K
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50096145
PNG
(CHEMBL3593989)
Show SMILES CC(=O)Nc1ccc(cn1)-c1ccc(cc1)-c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C21H17N5O2/c1-12(27)24-18-10-9-15(11-23-18)13-5-7-14(8-6-13)21-25-17-4-2-3-16(20(22)28)19(17)26-21/h2-11H,1H3,(H2,22,28)(H,25,26)(H,23,24,27)
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n/an/a 4.00E+4n/an/an/an/an/an/a



University of Malaya

Curated by ChEMBL


Assay Description
Inhibition of DHODH (unknown origin) using L-DHO, DUQ, DCIP as substrate preincubated for 30 mins followed by substrate addition measured after 20 mi...


Bioorg Med Chem 23: 4669-80 (2015)


Article DOI: 10.1016/j.bmc.2015.05.051
BindingDB Entry DOI: 10.7270/Q2S75J2K
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50096142
PNG
(CHEMBL3593985)
Show SMILES CC(=O)Nc1cccc(c1)-c1ccc(cc1)-c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C22H18N4O2/c1-13(27)24-17-5-2-4-16(12-17)14-8-10-15(11-9-14)22-25-19-7-3-6-18(21(23)28)20(19)26-22/h2-12H,1H3,(H2,23,28)(H,24,27)(H,25,26)
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n/an/a 4.20E+4n/an/an/an/an/an/a



University of Malaya

Curated by ChEMBL


Assay Description
Inhibition of DHODH (unknown origin) using L-DHO, DUQ, DCIP as substrate preincubated for 30 mins followed by substrate addition measured after 20 mi...


Bioorg Med Chem 23: 4669-80 (2015)


Article DOI: 10.1016/j.bmc.2015.05.051
BindingDB Entry DOI: 10.7270/Q2S75J2K
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50096200
PNG
(CHEMBL3593806)
Show SMILES CC(=O)Nc1ccc(COc2ccc(cc2)-c2ccc(cc2)-c2nc3c(cc(C)cc3[nH]2)C(O)=O)cc1
Show InChI InChI=1S/C30H25N3O4/c1-18-15-26(30(35)36)28-27(16-18)32-29(33-28)23-7-5-21(6-8-23)22-9-13-25(14-10-22)37-17-20-3-11-24(12-4-20)31-19(2)34/h3-16H,17H2,1-2H3,(H,31,34)(H,32,33)(H,35,36)
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n/an/a 4.40E+4n/an/an/an/an/an/a



University of Malaya

Curated by ChEMBL


Assay Description
Inhibition of PARP-1 (unknown origin) assessed as incorporation of biotinylated poly (ADP-ribose) onto histone protein after 60 mins by TACS-Sapphire...


Bioorg Med Chem 23: 4669-80 (2015)


Article DOI: 10.1016/j.bmc.2015.05.051
BindingDB Entry DOI: 10.7270/Q2S75J2K
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50096201
PNG
(CHEMBL3593807)
Show SMILES CC(=O)Nc1cc(ccc1-c1ccccc1)-c1nc2c(cc(C)cc2[nH]1)C(O)=O
Show InChI InChI=1S/C23H19N3O3/c1-13-10-18(23(28)29)21-20(11-13)25-22(26-21)16-8-9-17(15-6-4-3-5-7-15)19(12-16)24-14(2)27/h3-12H,1-2H3,(H,24,27)(H,25,26)(H,28,29)
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n/an/a 4.70E+4n/an/an/an/an/an/a



University of Malaya

Curated by ChEMBL


Assay Description
Inhibition of DHODH (unknown origin) using L-DHO, DUQ, DCIP as substrate preincubated for 30 mins followed by substrate addition measured after 20 mi...


Bioorg Med Chem 23: 4669-80 (2015)


Article DOI: 10.1016/j.bmc.2015.05.051
BindingDB Entry DOI: 10.7270/Q2S75J2K
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50096149
PNG
(CHEMBL3593993)
Show SMILES NC(=O)c1cc(F)cc2[nH]c(nc12)-c1ccc(cc1F)-c1ccc(NC(=O)C2CC2)cc1F
Show InChI InChI=1S/C24H17F3N4O2/c25-13-8-17(22(28)32)21-20(9-13)30-23(31-21)16-5-3-12(7-18(16)26)15-6-4-14(10-19(15)27)29-24(33)11-1-2-11/h3-11H,1-2H2,(H2,28,32)(H,29,33)(H,30,31)
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n/an/a 4.80E+4n/an/an/an/an/an/a



University of Malaya

Curated by ChEMBL


Assay Description
Inhibition of DHODH (unknown origin) using L-DHO, DUQ, DCIP as substrate preincubated for 30 mins followed by substrate addition measured after 20 mi...


Bioorg Med Chem 23: 4669-80 (2015)


Article DOI: 10.1016/j.bmc.2015.05.051
BindingDB Entry DOI: 10.7270/Q2S75J2K
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50096205
PNG
(CHEMBL3593981)
Show SMILES Cc1cc(C(N)=O)c2nc([nH]c2c1)-c1ccc(cc1)-c1cncc(c1)C(=O)N1CCCC1
Show InChI InChI=1S/C25H23N5O2/c1-15-10-20(23(26)31)22-21(11-15)28-24(29-22)17-6-4-16(5-7-17)18-12-19(14-27-13-18)25(32)30-8-2-3-9-30/h4-7,10-14H,2-3,8-9H2,1H3,(H2,26,31)(H,28,29)
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n/an/a 5.00E+4n/an/an/an/an/an/a



University of Malaya

Curated by ChEMBL


Assay Description
Inhibition of DHODH (unknown origin) using L-DHO, DUQ, DCIP as substrate preincubated for 30 mins followed by substrate addition measured after 20 mi...


Bioorg Med Chem 23: 4669-80 (2015)


Article DOI: 10.1016/j.bmc.2015.05.051
BindingDB Entry DOI: 10.7270/Q2S75J2K
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50096207
PNG
(CHEMBL3593984)
Show SMILES CC(=O)Nc1ccccc1-c1ccc(cc1)-c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C22H18N4O2/c1-13(27)24-18-7-3-2-5-16(18)14-9-11-15(12-10-14)22-25-19-8-4-6-17(21(23)28)20(19)26-22/h2-12H,1H3,(H2,23,28)(H,24,27)(H,25,26)
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n/an/a 5.10E+4n/an/an/an/an/an/a



University of Malaya

Curated by ChEMBL


Assay Description
Inhibition of DHODH (unknown origin) using L-DHO, DUQ, DCIP as substrate preincubated for 30 mins followed by substrate addition measured after 20 mi...


Bioorg Med Chem 23: 4669-80 (2015)


Article DOI: 10.1016/j.bmc.2015.05.051
BindingDB Entry DOI: 10.7270/Q2S75J2K
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50096146
PNG
(CHEMBL3593990)
Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1cncc(CN2CCCC2)c1
Show InChI InChI=1S/C24H23N5O/c25-23(30)20-4-3-5-21-22(20)28-24(27-21)18-8-6-17(7-9-18)19-12-16(13-26-14-19)15-29-10-1-2-11-29/h3-9,12-14H,1-2,10-11,15H2,(H2,25,30)(H,27,28)
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n/an/a 5.50E+4n/an/an/an/an/an/a



University of Malaya

Curated by ChEMBL


Assay Description
Inhibition of DHODH (unknown origin) using L-DHO, DUQ, DCIP as substrate preincubated for 30 mins followed by substrate addition measured after 20 mi...


Bioorg Med Chem 23: 4669-80 (2015)


Article DOI: 10.1016/j.bmc.2015.05.051
BindingDB Entry DOI: 10.7270/Q2S75J2K
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM50096143
PNG
(CHEMBL3593986)
Show SMILES CC(=O)Nc1ccc(cc1)-c1ccc(cc1)-c1nc2c(cccc2[nH]1)C(N)=O
Show InChI InChI=1S/C22H18N4O2/c1-13(27)24-17-11-9-15(10-12-17)14-5-7-16(8-6-14)22-25-19-4-2-3-18(21(23)28)20(19)26-22/h2-12H,1H3,(H2,23,28)(H,24,27)(H,25,26)
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n/an/a 5.60E+4n/an/an/an/an/an/a



University of Malaya

Curated by ChEMBL


Assay Description
Inhibition of DHODH (unknown origin) using L-DHO, DUQ, DCIP as substrate preincubated for 30 mins followed by substrate addition measured after 20 mi...


Bioorg Med Chem 23: 4669-80 (2015)


Article DOI: 10.1016/j.bmc.2015.05.051
BindingDB Entry DOI: 10.7270/Q2S75J2K
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%