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PubMed code 23473363

Compile data set for download or QSAR
Found 12 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
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50427989
PNG
(CHEMBL2325503)
Show SMILES CS(=O)(=O)c1ccc(nc1)-c1nnc(\C=C\c2nnc(o2)-c2ccc(cc2)C#N)n1-c1ccccc1Cl
Show InChI InChI=1S/C25H16ClN7O3S/c1-37(34,35)18-10-11-20(28-15-18)24-31-29-22(33(24)21-5-3-2-4-19(21)26)12-13-23-30-32-25(36-23)17-8-6-16(14-27)7-9-17/h2-13,15H,1H3/b13-12+
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n/an/a 25n/an/an/an/an/an/a



Oslo University Hospital

Curated by ChEMBL


Assay Description
Inhibition of TNKS2 (unknown origin) by NAD+-dependent autopoly(ADP ribosyl)lation assay


J Med Chem 56: 3012-23 (2013)


Article DOI: 10.1021/jm4000566
BindingDB Entry DOI: 10.7270/Q2Z60QC0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50427992
PNG
(CHEMBL2325500)
Show SMILES CS(=O)(=O)c1ccc(nc1)-c1nnc(SCc2nnc(o2)-c2ccc(Cl)cc2)n1-c1ccccc1Cl
Show InChI InChI=1S/C23H16Cl2N6O3S2/c1-36(32,33)16-10-11-18(26-12-16)21-28-30-23(31(21)19-5-3-2-4-17(19)25)35-13-20-27-29-22(34-20)14-6-8-15(24)9-7-14/h2-12H,13H2,1H3
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n/an/a 43n/an/an/an/an/an/a



Oslo University Hospital

Curated by ChEMBL


Assay Description
Inhibition of TNKS2 (unknown origin) by NAD+-dependent autopoly(ADP ribosyl)lation assay


J Med Chem 56: 3012-23 (2013)


Article DOI: 10.1021/jm4000566
BindingDB Entry DOI: 10.7270/Q2Z60QC0
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a)


(Homo sapiens (Human))
BDBM50427989
PNG
(CHEMBL2325503)
Show SMILES CS(=O)(=O)c1ccc(nc1)-c1nnc(\C=C\c2nnc(o2)-c2ccc(cc2)C#N)n1-c1ccccc1Cl
Show InChI InChI=1S/C25H16ClN7O3S/c1-37(34,35)18-10-11-20(28-15-18)24-31-29-22(33(24)21-5-3-2-4-19(21)26)12-13-23-30-32-25(36-23)17-8-6-16(14-27)7-9-17/h2-13,15H,1H3/b13-12+
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n/an/a 46n/an/an/an/an/an/a



Oslo University Hospital

Curated by ChEMBL


Assay Description
Inhibition of TNSK1 (unknown origin) by NAD+-dependent autopoly(ADP ribosyl)lation assay


J Med Chem 56: 3012-23 (2013)


Article DOI: 10.1021/jm4000566
BindingDB Entry DOI: 10.7270/Q2Z60QC0
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50427995
PNG
(CHEMBL2325497)
Show SMILES Clc1ccccc1-n1c(SCc2nnc(o2)-c2ccc(cc2)C#N)nnc1-c1ccncc1
Show InChI InChI=1S/C23H14ClN7OS/c24-18-3-1-2-4-19(18)31-21(16-9-11-26-12-10-16)28-30-23(31)33-14-20-27-29-22(32-20)17-7-5-15(13-25)6-8-17/h1-12H,14H2
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n/an/a 51n/an/an/an/an/an/a



Oslo University Hospital

Curated by ChEMBL


Assay Description
Inhibition of TNKS2 (unknown origin) by NAD+-dependent autopoly(ADP ribosyl)lation assay


J Med Chem 56: 3012-23 (2013)


Article DOI: 10.1021/jm4000566
BindingDB Entry DOI: 10.7270/Q2Z60QC0
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50427990
PNG
(CHEMBL2325502)
Show SMILES COc1cc(ccn1)-c1nnc(\C=C\c2nnc(-c3ccc(cn3)S(C)(=O)=O)n2-c2ccccc2Cl)o1
Show InChI InChI=1S/C24H18ClN7O4S/c1-35-22-13-15(11-12-26-22)24-31-29-21(36-24)10-9-20-28-30-23(32(20)19-6-4-3-5-17(19)25)18-8-7-16(14-27-18)37(2,33)34/h3-14H,1-2H3/b10-9+
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n/an/a 54n/an/an/an/an/an/a



Oslo University Hospital

Curated by ChEMBL


Assay Description
Inhibition of TNKS2 (unknown origin) by NAD+-dependent autopoly(ADP ribosyl)lation assay


J Med Chem 56: 3012-23 (2013)


Article DOI: 10.1021/jm4000566
BindingDB Entry DOI: 10.7270/Q2Z60QC0
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50427993
PNG
(CHEMBL2325499)
Show SMILES Cc1ccc(cc1)-c1nnc(CCc2nnc(-c3ccncc3)n2-c2ccccc2Cl)o1
Show InChI InChI=1S/C24H19ClN6O/c1-16-6-8-18(9-7-16)24-30-28-22(32-24)11-10-21-27-29-23(17-12-14-26-15-13-17)31(21)20-5-3-2-4-19(20)25/h2-9,12-15H,10-11H2,1H3
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n/an/a 290n/an/an/an/an/an/a



Oslo University Hospital

Curated by ChEMBL


Assay Description
Inhibition of TNKS2 (unknown origin) by NAD+-dependent autopoly(ADP ribosyl)lation assay


J Med Chem 56: 3012-23 (2013)


Article DOI: 10.1021/jm4000566
BindingDB Entry DOI: 10.7270/Q2Z60QC0
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50380592
PNG
(CHEMBL1552719)
Show SMILES COc1ccc(cc1)-n1c(SCc2nc(no2)-c2ccc(C)cc2)nnc1-c1ccncc1
Show InChI InChI=1S/C24H20N6O2S/c1-16-3-5-17(6-4-16)22-26-21(32-29-22)15-33-24-28-27-23(18-11-13-25-14-12-18)30(24)19-7-9-20(31-2)10-8-19/h3-14H,15H2,1-2H3
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Oslo University Hospital

Curated by ChEMBL


Assay Description
Inhibition of TNKS2 (unknown origin) by NAD+-dependent autopoly(ADP ribosyl)lation assay


J Med Chem 56: 3012-23 (2013)


Article DOI: 10.1021/jm4000566
BindingDB Entry DOI: 10.7270/Q2Z60QC0
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50427994
PNG
(CHEMBL2325498)
Show SMILES Cc1cc2nc(CSc3nnc(-c4ccncc4)n3-c3ccccc3Cl)cc(=O)n2cc1C
Show InChI InChI=1S/C24H19ClN6OS/c1-15-11-21-27-18(12-22(32)30(21)13-16(15)2)14-33-24-29-28-23(17-7-9-26-10-8-17)31(24)20-6-4-3-5-19(20)25/h3-13H,14H2,1-2H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



Oslo University Hospital

Curated by ChEMBL


Assay Description
Inhibition of TNKS2 (unknown origin) by NAD+-dependent autopoly(ADP ribosyl)lation assay


J Med Chem 56: 3012-23 (2013)


Article DOI: 10.1021/jm4000566
BindingDB Entry DOI: 10.7270/Q2Z60QC0
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50427997
PNG
(CHEMBL2325495)
Show SMILES COc1ccc(cc1)-n1c(OCc2nc(no2)-c2ccc(C)cc2)nnc1-c1ccncc1
Show InChI InChI=1S/C24H20N6O3/c1-16-3-5-17(6-4-16)22-26-21(33-29-22)15-32-24-28-27-23(18-11-13-25-14-12-18)30(24)19-7-9-20(31-2)10-8-19/h3-14H,15H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Oslo University Hospital

Curated by ChEMBL


Assay Description
Inhibition of TNKS2 (unknown origin) by NAD+-dependent autopoly(ADP ribosyl)lation assay


J Med Chem 56: 3012-23 (2013)


Article DOI: 10.1021/jm4000566
BindingDB Entry DOI: 10.7270/Q2Z60QC0
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50427996
PNG
(CHEMBL2325496)
Show SMILES COc1ccc(cc1)-n1c(NCc2nc(no2)-c2ccc(C)cc2)nnc1-c1ccncc1
Show InChI InChI=1S/C24H21N7O2/c1-16-3-5-17(6-4-16)22-27-21(33-30-22)15-26-24-29-28-23(18-11-13-25-14-12-18)31(24)19-7-9-20(32-2)10-8-19/h3-14H,15H2,1-2H3,(H,26,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Oslo University Hospital

Curated by ChEMBL


Assay Description
Inhibition of TNKS2 (unknown origin) by NAD+-dependent autopoly(ADP ribosyl)lation assay


J Med Chem 56: 3012-23 (2013)


Article DOI: 10.1021/jm4000566
BindingDB Entry DOI: 10.7270/Q2Z60QC0
More data for this
Ligand-Target Pair
Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b)


(Homo sapiens (Human))
BDBM50427991
PNG
(CHEMBL2325501)
Show SMILES Fc1ccc(cc1)-c1nnc(C=Cc2nnc(o2)-c2cc[nH]c(=O)c2)n1-c1ccccc1Cl
Show InChI InChI=1S/C23H14ClFN6O2/c24-17-3-1-2-4-18(17)31-19(27-29-22(31)14-5-7-16(25)8-6-14)9-10-21-28-30-23(33-21)15-11-12-26-20(32)13-15/h1-13H,(H,26,32)/b10-9+
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n/an/a 1.23E+4n/an/an/an/an/an/a



Oslo University Hospital

Curated by ChEMBL


Assay Description
Inhibition of TNKS2 (unknown origin) by NAD+-dependent autopoly(ADP ribosyl)lation assay


J Med Chem 56: 3012-23 (2013)


Article DOI: 10.1021/jm4000566
BindingDB Entry DOI: 10.7270/Q2Z60QC0
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50427989
PNG
(CHEMBL2325503)
Show SMILES CS(=O)(=O)c1ccc(nc1)-c1nnc(\C=C\c2nnc(o2)-c2ccc(cc2)C#N)n1-c1ccccc1Cl
Show InChI InChI=1S/C25H16ClN7O3S/c1-37(34,35)18-10-11-20(28-15-18)24-31-29-22(33(24)21-5-3-2-4-19(21)26)12-13-23-30-32-25(36-23)17-8-6-16(14-27)7-9-17/h2-13,15H,1H3/b13-12+
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n/an/a>2.50E+4n/an/an/an/an/an/a



Oslo University Hospital

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


J Med Chem 56: 3012-23 (2013)


Article DOI: 10.1021/jm4000566
BindingDB Entry DOI: 10.7270/Q2Z60QC0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%