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10 similar compounds to monomer 50068766

Compile data set for download or QSAR
Wt: 281.2
BDBM50068752
Wt: 252.2
BDBM50068755
Wt: 236.2
BDBM50068758
Purchase
Wt: 261.2
BDBM50068760
Wt: 251.2
BDBM50357676
Wt: 254.2
BDBM50444542
Wt: 315.1
BDBM50444543
Wt: 270.7
BDBM50444544
Wt: 250.2
BDBM50444545
Wt: 265.3
BDBM50005187

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 40 hits for monomerid = 50068752,50068755,50068758,50068760,50357676,50444542,50444543,50444544,50444545,50005187   
Target/Host
(Institution)
LigandTarget/Host
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 (ARTD5 or PARP5a)


(Homo sapiens (Human))
BDBM50444542
PNG
(CHEMBL3098938)
Show SMILES Cc1cccc2c1nc([nH]c2=O)-c1ccc(F)cc1
Show InChI InChI=1S/C15H11FN2O/c1-9-3-2-4-12-13(9)17-14(18-15(12)19)10-5-7-11(16)8-6-10/h2-8H,1H3,(H,17,18,19)
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n/an/a 44n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human tankyrase1 after 30 mins by spectrophotometry


ACS Med Chem Lett 4: 1173-7 (2013)


Article DOI: 10.1021/ml400260b
BindingDB Entry DOI: 10.7270/Q2XG9SKC
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50068758
PNG
(8-Methyl-2-phenyl-3H-quinazolin-4-one | CHEMBL1247...)
Show SMILES Cc1cccc2c1nc([nH]c2=O)-c1ccccc1
Show InChI InChI=1S/C15H12N2O/c1-10-6-5-9-12-13(10)16-14(17-15(12)18)11-7-3-2-4-8-11/h2-9H,1H3,(H,16,17,18)
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n/an/a 795n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin) after 1 hr by spectrophotometry


ACS Med Chem Lett 4: 1173-7 (2013)


Article DOI: 10.1021/ml400260b
BindingDB Entry DOI: 10.7270/Q2XG9SKC
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a)


(Homo sapiens (Human))
BDBM50444545
PNG
(CHEMBL3098940)
Show SMILES Cc1ccc(cc1)-c1nc2c(C)cccc2c(=O)[nH]1
Show InChI InChI=1S/C16H14N2O/c1-10-6-8-12(9-7-10)15-17-14-11(2)4-3-5-13(14)16(19)18-15/h3-9H,1-2H3,(H,17,18,19)
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n/an/a 35n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human tankyrase1 after 30 mins by spectrophotometry


ACS Med Chem Lett 4: 1173-7 (2013)


Article DOI: 10.1021/ml400260b
BindingDB Entry DOI: 10.7270/Q2XG9SKC
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a)


(Homo sapiens (Human))
BDBM50444544
PNG
(CHEMBL3098939)
Show SMILES Cc1cccc2c1nc([nH]c2=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H11ClN2O/c1-9-3-2-4-12-13(9)17-14(18-15(12)19)10-5-7-11(16)8-6-10/h2-8H,1H3,(H,17,18,19)
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n/an/a 36n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human tankyrase1 after 30 mins by spectrophotometry


ACS Med Chem Lett 4: 1173-7 (2013)


Article DOI: 10.1021/ml400260b
BindingDB Entry DOI: 10.7270/Q2XG9SKC
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50068758
PNG
(8-Methyl-2-phenyl-3H-quinazolin-4-one | CHEMBL1247...)
Show SMILES Cc1cccc2c1nc([nH]c2=O)-c1ccccc1
Show InChI InChI=1S/C15H12N2O/c1-10-6-5-9-12-13(10)16-14(17-15(12)18)11-7-3-2-4-8-11/h2-9H,1H3,(H,16,17,18)
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n/an/a 41n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human tankyrase2 after 2 hrs by spectrophotometry


ACS Med Chem Lett 4: 1173-7 (2013)


Article DOI: 10.1021/ml400260b
BindingDB Entry DOI: 10.7270/Q2XG9SKC
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50068752
PNG
(8-Methyl-2-(4-nitro-phenyl)-3H-quinazolin-4-one | ...)
Show SMILES Cc1cccc2c1nc([nH]c2=O)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C15H11N3O3/c1-9-3-2-4-12-13(9)16-14(17-15(12)19)10-5-7-11(8-6-10)18(20)21/h2-8H,1H3,(H,16,17,19)
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n/an/a 30n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human tankyrase2 after 2 hrs by spectrophotometry


ACS Med Chem Lett 4: 1173-7 (2013)


Article DOI: 10.1021/ml400260b
BindingDB Entry DOI: 10.7270/Q2XG9SKC
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50444543
PNG
(CHEMBL3098937)
Show SMILES Cc1cccc2c1nc([nH]c2=O)-c1ccc(Br)cc1
Show InChI InChI=1S/C15H11BrN2O/c1-9-3-2-4-12-13(9)17-14(18-15(12)19)10-5-7-11(16)8-6-10/h2-8H,1H3,(H,17,18,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IMPDH2 by spectrophotometry


ACS Med Chem Lett 4: 1173-7 (2013)


Article DOI: 10.1021/ml400260b
BindingDB Entry DOI: 10.7270/Q2XG9SKC
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50444542
PNG
(CHEMBL3098938)
Show SMILES Cc1cccc2c1nc([nH]c2=O)-c1ccc(F)cc1
Show InChI InChI=1S/C15H11FN2O/c1-9-3-2-4-12-13(9)17-14(18-15(12)19)10-5-7-11(16)8-6-10/h2-8H,1H3,(H,17,18,19)
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n/an/a 40n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human tankyrase2 after 2 hrs by spectrophotometry


ACS Med Chem Lett 4: 1173-7 (2013)


Article DOI: 10.1021/ml400260b
BindingDB Entry DOI: 10.7270/Q2XG9SKC
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50444544
PNG
(CHEMBL3098939)
Show SMILES Cc1cccc2c1nc([nH]c2=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H11ClN2O/c1-9-3-2-4-12-13(9)17-14(18-15(12)19)10-5-7-11(16)8-6-10/h2-8H,1H3,(H,17,18,19)
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n/an/a 33n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human tankyrase2 after 2 hrs by spectrophotometry


ACS Med Chem Lett 4: 1173-7 (2013)


Article DOI: 10.1021/ml400260b
BindingDB Entry DOI: 10.7270/Q2XG9SKC
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50444543
PNG
(CHEMBL3098937)
Show SMILES Cc1cccc2c1nc([nH]c2=O)-c1ccc(Br)cc1
Show InChI InChI=1S/C15H11BrN2O/c1-9-3-2-4-12-13(9)17-14(18-15(12)19)10-5-7-11(16)8-6-10/h2-8H,1H3,(H,17,18,19)
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n/an/a 5.5n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human tankyrase2 after 2 hrs by spectrophotometry


ACS Med Chem Lett 4: 1173-7 (2013)


Article DOI: 10.1021/ml400260b
BindingDB Entry DOI: 10.7270/Q2XG9SKC
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50444545
PNG
(CHEMBL3098940)
Show SMILES Cc1ccc(cc1)-c1nc2c(C)cccc2c(=O)[nH]1
Show InChI InChI=1S/C16H14N2O/c1-10-6-8-12(9-7-10)15-17-14-11(2)4-3-5-13(14)16(19)18-15/h3-9H,1-2H3,(H,17,18,19)
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n/an/a 6.70n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human tankyrase2 after 2 hrs by spectrophotometry


ACS Med Chem Lett 4: 1173-7 (2013)


Article DOI: 10.1021/ml400260b
BindingDB Entry DOI: 10.7270/Q2XG9SKC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50005187
PNG
(CHEMBL3099815)
Show SMILES Cc1cccc2c1nc([nH]c2=O)-c1ccc(CN)cc1
Show InChI InChI=1S/C16H15N3O.BrH/c1-10-3-2-4-13-14(10)18-15(19-16(13)20)12-7-5-11(9-17)6-8-12;/h2-8H,9,17H2,1H3,(H,18,19,20);1H
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n/an/a 100n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human tankyrase2 after 2 hrs by spectrophotometry


ACS Med Chem Lett 4: 1173-7 (2013)


Article DOI: 10.1021/ml400260b
BindingDB Entry DOI: 10.7270/Q2XG9SKC
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50068755
PNG
(2-(4-Hydroxy-phenyl)-8-methyl-3H-quinazolin-4-one ...)
Show SMILES Cc1cccc2c1nc([nH]c2=O)-c1ccc(O)cc1
Show InChI InChI=1S/C15H12N2O2/c1-9-3-2-4-12-13(9)16-14(17-15(12)19)10-5-7-11(18)8-6-10/h2-8,18H,1H3,(H,16,17,19)
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n/an/a 3n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human tankyrase2 after 2 hrs by spectrophotometry


ACS Med Chem Lett 4: 1173-7 (2013)


Article DOI: 10.1021/ml400260b
BindingDB Entry DOI: 10.7270/Q2XG9SKC
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50068752
PNG
(8-Methyl-2-(4-nitro-phenyl)-3H-quinazolin-4-one | ...)
Show SMILES Cc1cccc2c1nc([nH]c2=O)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C15H11N3O3/c1-9-3-2-4-12-13(9)16-14(17-15(12)19)10-5-7-11(8-6-10)18(20)21/h2-8H,1H3,(H,16,17,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IMPDH2 by spectrophotometry


ACS Med Chem Lett 4: 1173-7 (2013)


Article DOI: 10.1021/ml400260b
BindingDB Entry DOI: 10.7270/Q2XG9SKC
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50444544
PNG
(CHEMBL3098939)
Show SMILES Cc1cccc2c1nc([nH]c2=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H11ClN2O/c1-9-3-2-4-12-13(9)17-14(18-15(12)19)10-5-7-11(16)8-6-10/h2-8H,1H3,(H,17,18,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IMPDH2 by spectrophotometry


ACS Med Chem Lett 4: 1173-7 (2013)


Article DOI: 10.1021/ml400260b
BindingDB Entry DOI: 10.7270/Q2XG9SKC
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50444542
PNG
(CHEMBL3098938)
Show SMILES Cc1cccc2c1nc([nH]c2=O)-c1ccc(F)cc1
Show InChI InChI=1S/C15H11FN2O/c1-9-3-2-4-12-13(9)17-14(18-15(12)19)10-5-7-11(16)8-6-10/h2-8H,1H3,(H,17,18,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IMPDH2 by spectrophotometry


ACS Med Chem Lett 4: 1173-7 (2013)


Article DOI: 10.1021/ml400260b
BindingDB Entry DOI: 10.7270/Q2XG9SKC
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a)


(Homo sapiens (Human))
BDBM50068758
PNG
(8-Methyl-2-phenyl-3H-quinazolin-4-one | CHEMBL1247...)
Show SMILES Cc1cccc2c1nc([nH]c2=O)-c1ccccc1
Show InChI InChI=1S/C15H12N2O/c1-10-6-5-9-12-13(10)16-14(17-15(12)18)11-7-3-2-4-8-11/h2-9H,1H3,(H,16,17,18)
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n/an/a 42n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human tankyrase1 after 30 mins by spectrophotometry


ACS Med Chem Lett 4: 1173-7 (2013)


Article DOI: 10.1021/ml400260b
BindingDB Entry DOI: 10.7270/Q2XG9SKC
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50444545
PNG
(CHEMBL3098940)
Show SMILES Cc1ccc(cc1)-c1nc2c(C)cccc2c(=O)[nH]1
Show InChI InChI=1S/C16H14N2O/c1-10-6-8-12(9-7-10)15-17-14-11(2)4-3-5-13(14)16(19)18-15/h3-9H,1-2H3,(H,17,18,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IMPDH2 by spectrophotometry


ACS Med Chem Lett 4: 1173-7 (2013)


Article DOI: 10.1021/ml400260b
BindingDB Entry DOI: 10.7270/Q2XG9SKC
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50068758
PNG
(8-Methyl-2-phenyl-3H-quinazolin-4-one | CHEMBL1247...)
Show SMILES Cc1cccc2c1nc([nH]c2=O)-c1ccccc1
Show InChI InChI=1S/C15H12N2O/c1-10-6-5-9-12-13(10)16-14(17-15(12)18)11-7-3-2-4-8-11/h2-9H,1H3,(H,16,17,18)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IMPDH2 by spectrophotometry


ACS Med Chem Lett 4: 1173-7 (2013)


Article DOI: 10.1021/ml400260b
BindingDB Entry DOI: 10.7270/Q2XG9SKC
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a)


(Homo sapiens (Human))
BDBM50068752
PNG
(8-Methyl-2-(4-nitro-phenyl)-3H-quinazolin-4-one | ...)
Show SMILES Cc1cccc2c1nc([nH]c2=O)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C15H11N3O3/c1-9-3-2-4-12-13(9)16-14(17-15(12)19)10-5-7-11(8-6-10)18(20)21/h2-8H,1H3,(H,16,17,19)
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n/an/a 32n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human tankyrase1 after 30 mins by spectrophotometry


ACS Med Chem Lett 4: 1173-7 (2013)


Article DOI: 10.1021/ml400260b
BindingDB Entry DOI: 10.7270/Q2XG9SKC
More data for this
Ligand-Target Pair
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (Human))
BDBM50068755
PNG
(2-(4-Hydroxy-phenyl)-8-methyl-3H-quinazolin-4-one ...)
Show SMILES Cc1cccc2c1nc([nH]c2=O)-c1ccc(O)cc1
Show InChI InChI=1S/C15H12N2O2/c1-9-3-2-4-12-13(9)16-14(17-15(12)19)10-5-7-11(18)8-6-10/h2-8,18H,1H3,(H,16,17,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IMPDH2 by spectrophotometry


ACS Med Chem Lett 4: 1173-7 (2013)


Article DOI: 10.1021/ml400260b
BindingDB Entry DOI: 10.7270/Q2XG9SKC
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a)


(Homo sapiens (Human))
BDBM50068755
PNG
(2-(4-Hydroxy-phenyl)-8-methyl-3H-quinazolin-4-one ...)
Show SMILES Cc1cccc2c1nc([nH]c2=O)-c1ccc(O)cc1
Show InChI InChI=1S/C15H12N2O2/c1-9-3-2-4-12-13(9)16-14(17-15(12)19)10-5-7-11(18)8-6-10/h2-8,18H,1H3,(H,16,17,19)
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n/an/a 52n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human tankyrase1 after 30 mins by spectrophotometry


ACS Med Chem Lett 4: 1173-7 (2013)


Article DOI: 10.1021/ml400260b
BindingDB Entry DOI: 10.7270/Q2XG9SKC
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase-1


(Mus musculus)
BDBM50068752
PNG
(8-Methyl-2-(4-nitro-phenyl)-3H-quinazolin-4-one | ...)
Show SMILES Cc1cccc2c1nc([nH]c2=O)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C15H11N3O3/c1-9-3-2-4-12-13(9)16-14(17-15(12)19)10-5-7-11(8-6-10)18(20)21/h2-8H,1H3,(H,16,17,19)
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n/an/a 130n/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
Inhibition of the DNA repair Poly (ADP-ribose) polymerase 1, in permeabilised L1210 murine leukemia cells


J Med Chem 41: 5247-56 (1999)


Article DOI: 10.1021/jm980273t
BindingDB Entry DOI: 10.7270/Q2VX0FNK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase-1


(Mus musculus)
BDBM50068755
PNG
(2-(4-Hydroxy-phenyl)-8-methyl-3H-quinazolin-4-one ...)
Show SMILES Cc1cccc2c1nc([nH]c2=O)-c1ccc(O)cc1
Show InChI InChI=1S/C15H12N2O2/c1-9-3-2-4-12-13(9)16-14(17-15(12)19)10-5-7-11(18)8-6-10/h2-8,18H,1H3,(H,16,17,19)
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n/an/a 220n/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
Inhibition of the DNA repair Poly (ADP-ribose) polymerase 1, in permeabilised L1210 murine leukemia cells


J Med Chem 41: 5247-56 (1999)


Article DOI: 10.1021/jm980273t
BindingDB Entry DOI: 10.7270/Q2VX0FNK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase-1


(Mus musculus)
BDBM50068758
PNG
(8-Methyl-2-phenyl-3H-quinazolin-4-one | CHEMBL1247...)
Show SMILES Cc1cccc2c1nc([nH]c2=O)-c1ccccc1
Show InChI InChI=1S/C15H12N2O/c1-10-6-5-9-12-13(10)16-14(17-15(12)18)11-7-3-2-4-8-11/h2-9H,1H3,(H,16,17,18)
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n/an/a 870n/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
Inhibition of the DNA repair Poly (ADP-ribose) polymerase 1, in permeabilised L1210 murine leukemia cells


J Med Chem 41: 5247-56 (1999)


Article DOI: 10.1021/jm980273t
BindingDB Entry DOI: 10.7270/Q2VX0FNK
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase-1


(Mus musculus)
BDBM50068760
PNG
(4-(8-Methyl-4-oxo-3,4-dihydro-quinazolin-2-yl)-ben...)
Show SMILES Cc1cccc2c1nc([nH]c2=O)-c1ccc(cc1)C#N
Show InChI InChI=1S/C16H11N3O/c1-10-3-2-4-13-14(10)18-15(19-16(13)20)12-7-5-11(9-17)6-8-12/h2-8H,1H3,(H,18,19,20)
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n/an/a 270n/an/an/an/an/an/a



The University

Curated by ChEMBL


Assay Description
Inhibition of the DNA repair Poly (ADP-ribose) polymerase 1, in permeabilised L1210 murine leukemia cells


J Med Chem 41: 5247-56 (1999)


Article DOI: 10.1021/jm980273t
BindingDB Entry DOI: 10.7270/Q2VX0FNK
More data for this
Ligand-Target Pair
Tankyrase 1/2


(Homo sapiens (Human))
BDBM50005187
PNG
(CHEMBL3099815)
Show SMILES Cc1cccc2c1nc([nH]c2=O)-c1ccc(CN)cc1
Show InChI InChI=1S/C16H15N3O.BrH/c1-10-3-2-4-13-14(10)18-15(19-16(13)20)12-7-5-11(9-17)6-8-12;/h2-8H,9,17H2,1H3,(H,18,19,20);1H
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n/an/a 907n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of TNKS-1 (unknown origin) using histone as substrate incubated for 30 mins by colorimetric assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50005187
PNG
(CHEMBL3099815)
Show SMILES Cc1cccc2c1nc([nH]c2=O)-c1ccc(CN)cc1
Show InChI InChI=1S/C16H15N3O.BrH/c1-10-3-2-4-13-14(10)18-15(19-16(13)20)12-7-5-11(9-17)6-8-12;/h2-8H,9,17H2,1H3,(H,18,19,20);1H
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n/an/a 43n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human TNKS-2 (849 to 1166 residues) expressed in in insect sf21 cells preincubated for 2 hrs followed by substrat...


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50005187
PNG
(CHEMBL3099815)
Show SMILES Cc1cccc2c1nc([nH]c2=O)-c1ccc(CN)cc1
Show InChI InChI=1S/C16H15N3O.BrH/c1-10-3-2-4-13-14(10)18-15(19-16(13)20)12-7-5-11(9-17)6-8-12;/h2-8H,9,17H2,1H3,(H,18,19,20);1H
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n/an/a 266n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of PARP-1 (unknown origin) using histone as substrate incubated for 1 hr by chemiluminescence assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM50444542
PNG
(CHEMBL3098938)
Show SMILES Cc1cccc2c1nc([nH]c2=O)-c1ccc(F)cc1
Show InChI InChI=1S/C15H11FN2O/c1-9-3-2-4-12-13(9)17-14(18-15(12)19)10-5-7-11(16)8-6-10/h2-8H,1H3,(H,17,18,19)
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n/an/a 683n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human PARP-2 (unknown origin) using histone as substrate incubated for 1 hr by chemiluminescence assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM50444544
PNG
(CHEMBL3098939)
Show SMILES Cc1cccc2c1nc([nH]c2=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H11ClN2O/c1-9-3-2-4-12-13(9)17-14(18-15(12)19)10-5-7-11(16)8-6-10/h2-8H,1H3,(H,17,18,19)
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n/an/a 6.35E+3n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human PARP-2 (unknown origin) using histone as substrate incubated for 1 hr by chemiluminescence assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2)


(Homo sapiens (Human))
BDBM50444543
PNG
(CHEMBL3098937)
Show SMILES Cc1cccc2c1nc([nH]c2=O)-c1ccc(Br)cc1
Show InChI InChI=1S/C15H11BrN2O/c1-9-3-2-4-12-13(9)17-14(18-15(12)19)10-5-7-11(16)8-6-10/h2-8H,1H3,(H,17,18,19)
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n/an/a 1.05E+4n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human PARP-2 (unknown origin) using histone as substrate incubated for 1 hr by chemiluminescence assay


Eur J Med Chem 118: 316-27 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.041
BindingDB Entry DOI: 10.7270/Q22F7QC0
More data for this
Ligand-Target Pair
Luciferase


(Luciola lateralis)
BDBM50357676
PNG
(CHEMBL1914948)
Show SMILES CNc1ccc(cc1)-c1nc2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C15H13N3O/c1-16-11-8-6-10(7-9-11)14-17-13-5-3-2-4-12(13)15(19)18-14/h2-9,16H,1H3,(H,17,18,19)
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n/an/an/an/a 730n/an/an/an/a



MerLion Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of firefly luciferase by ATPlite assay in absence of AMPK


J Nat Prod 74: 1500-2 (2011)


Article DOI: 10.1021/np1006179
BindingDB Entry DOI: 10.7270/Q29K4BNF
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50068755
PNG
(2-(4-Hydroxy-phenyl)-8-methyl-3H-quinazolin-4-one ...)
Show SMILES Cc1cccc2c1nc([nH]c2=O)-c1ccc(O)cc1
Show InChI InChI=1S/C15H12N2O2/c1-9-3-2-4-12-13(9)16-14(17-15(12)19)10-5-7-11(18)8-6-10/h2-8,18H,1H3,(H,16,17,19)
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin) after 1 hr by spectrophotometry


ACS Med Chem Lett 4: 1173-7 (2013)


Article DOI: 10.1021/ml400260b
BindingDB Entry DOI: 10.7270/Q2XG9SKC
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50444542
PNG
(CHEMBL3098938)
Show SMILES Cc1cccc2c1nc([nH]c2=O)-c1ccc(F)cc1
Show InChI InChI=1S/C15H11FN2O/c1-9-3-2-4-12-13(9)17-14(18-15(12)19)10-5-7-11(16)8-6-10/h2-8H,1H3,(H,17,18,19)
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n/an/a>5.00E+3n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin) after 1 hr by spectrophotometry


ACS Med Chem Lett 4: 1173-7 (2013)


Article DOI: 10.1021/ml400260b
BindingDB Entry DOI: 10.7270/Q2XG9SKC
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50444543
PNG
(CHEMBL3098937)
Show SMILES Cc1cccc2c1nc([nH]c2=O)-c1ccc(Br)cc1
Show InChI InChI=1S/C15H11BrN2O/c1-9-3-2-4-12-13(9)17-14(18-15(12)19)10-5-7-11(16)8-6-10/h2-8H,1H3,(H,17,18,19)
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n/an/a>5.00E+3n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin) after 1 hr by spectrophotometry


ACS Med Chem Lett 4: 1173-7 (2013)


Article DOI: 10.1021/ml400260b
BindingDB Entry DOI: 10.7270/Q2XG9SKC
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50444544
PNG
(CHEMBL3098939)
Show SMILES Cc1cccc2c1nc([nH]c2=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H11ClN2O/c1-9-3-2-4-12-13(9)17-14(18-15(12)19)10-5-7-11(16)8-6-10/h2-8H,1H3,(H,17,18,19)
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n/an/a>5.00E+3n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin) after 1 hr by spectrophotometry


ACS Med Chem Lett 4: 1173-7 (2013)


Article DOI: 10.1021/ml400260b
BindingDB Entry DOI: 10.7270/Q2XG9SKC
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50068752
PNG
(8-Methyl-2-(4-nitro-phenyl)-3H-quinazolin-4-one | ...)
Show SMILES Cc1cccc2c1nc([nH]c2=O)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C15H11N3O3/c1-9-3-2-4-12-13(9)16-14(17-15(12)19)10-5-7-11(8-6-10)18(20)21/h2-8H,1H3,(H,16,17,19)
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n/an/a 104n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin) after 1 hr by spectrophotometry


ACS Med Chem Lett 4: 1173-7 (2013)


Article DOI: 10.1021/ml400260b
BindingDB Entry DOI: 10.7270/Q2XG9SKC
More data for this
Ligand-Target Pair
Poly [ADP-ribose] polymerase 1


(Homo sapiens (Human))
BDBM50444545
PNG
(CHEMBL3098940)
Show SMILES Cc1ccc(cc1)-c1nc2c(C)cccc2c(=O)[nH]1
Show InChI InChI=1S/C16H14N2O/c1-10-6-8-12(9-7-10)15-17-14-11(2)4-3-5-13(14)16(19)18-15/h3-9H,1-2H3,(H,17,18,19)
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n/an/a 685n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of PARP1 (unknown origin) after 1 hr by spectrophotometry


ACS Med Chem Lett 4: 1173-7 (2013)


Article DOI: 10.1021/ml400260b
BindingDB Entry DOI: 10.7270/Q2XG9SKC
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a)


(Homo sapiens (Human))
BDBM50444543
PNG
(CHEMBL3098937)
Show SMILES Cc1cccc2c1nc([nH]c2=O)-c1ccc(Br)cc1
Show InChI InChI=1S/C15H11BrN2O/c1-9-3-2-4-12-13(9)17-14(18-15(12)19)10-5-7-11(16)8-6-10/h2-8H,1H3,(H,17,18,19)
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n/an/a 32n/an/an/an/an/an/a



University of Bath

Curated by ChEMBL


Assay Description
Inhibition of human tankyrase1 after 30 mins by spectrophotometry


ACS Med Chem Lett 4: 1173-7 (2013)


Article DOI: 10.1021/ml400260b
BindingDB Entry DOI: 10.7270/Q2XG9SKC
More data for this
Ligand-Target Pair