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Compile Data Set for Download or QSAR

Found 122 hits with Last Name = 'desantis' and Initial = 'j'   
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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50002338
PNG
((Thioridazine)10-[2-(1-Methyl-piperidin-2-yl)-ethy...)
Show SMILES CSc1ccc2Sc3ccccc3N(CCC3CCCCN3C)c2c1
Show InChI InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
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8n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Raclopride from human D2 receptor (unknown origin) expressed in HEK293 cell membranes


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112420
BindingDB Entry DOI: 10.7270/Q2G73JGD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50002338
PNG
((Thioridazine)10-[2-(1-Methyl-piperidin-2-yl)-ethy...)
Show SMILES CSc1ccc2Sc3ccccc3N(CCC3CCCCN3C)c2c1
Show InChI InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
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71n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from human 5HT6 receptor expressed in HEK293 cells


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112420
BindingDB Entry DOI: 10.7270/Q2G73JGD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50002338
PNG
((Thioridazine)10-[2-(1-Methyl-piperidin-2-yl)-ethy...)
Show SMILES CSc1ccc2Sc3ccccc3N(CCC3CCCCN3C)c2c1
Show InChI InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
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84n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Ketanserin from human 5HT2A receptor expressed in CHO-K1 cells


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112420
BindingDB Entry DOI: 10.7270/Q2G73JGD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50002338
PNG
((Thioridazine)10-[2-(1-Methyl-piperidin-2-yl)-ethy...)
Show SMILES CSc1ccc2Sc3ccccc3N(CCC3CCCCN3C)c2c1
Show InChI InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
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181n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-5-CT from human 5HT7 receptor expressed in HEK293 cells


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112420
BindingDB Entry DOI: 10.7270/Q2G73JGD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50565002
PNG
(CHEMBL4778666)
Show SMILES Cl.[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1-[#6]-[#6]-[#7]-1-c2ccc(Br)cc2[Se;v2]c2cc(Br)ccc-12
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222n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from human 5HT6 receptor expressed in HEK293 cells


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112420
BindingDB Entry DOI: 10.7270/Q2G73JGD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50565002
PNG
(CHEMBL4778666)
Show SMILES Cl.[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1-[#6]-[#6]-[#7]-1-c2ccc(Br)cc2[Se;v2]c2cc(Br)ccc-12
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367n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Raclopride from human D2 receptor (unknown origin) expressed in HEK293 cell membranes


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112420
BindingDB Entry DOI: 10.7270/Q2G73JGD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50565001
PNG
(CHEMBL4797066)
Show SMILES Cl.CN1CCCCC1CCN1c2c(Cl)cc(Cl)cc2Sc2cc(Cl)cc(Cl)c12
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387n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from human 5HT6 receptor expressed in HEK293 cells


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112420
BindingDB Entry DOI: 10.7270/Q2G73JGD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50565001
PNG
(CHEMBL4797066)
Show SMILES Cl.CN1CCCCC1CCN1c2c(Cl)cc(Cl)cc2Sc2cc(Cl)cc(Cl)c12
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639n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Raclopride from human D2 receptor (unknown origin) expressed in HEK293 cell membranes


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112420
BindingDB Entry DOI: 10.7270/Q2G73JGD
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50565000
PNG
(CHEMBL4791959)
Show SMILES Cl.CN1CCCCC1CCN1c2ccc(Br)cc2Sc2cc(Br)ccc12
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688n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Raclopride from human D2 receptor (unknown origin) expressed in HEK293 cell membranes


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112420
BindingDB Entry DOI: 10.7270/Q2G73JGD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50565000
PNG
(CHEMBL4791959)
Show SMILES Cl.CN1CCCCC1CCN1c2ccc(Br)cc2Sc2cc(Br)ccc12
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758n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LSD from human 5HT6 receptor expressed in HEK293 cells


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112420
BindingDB Entry DOI: 10.7270/Q2G73JGD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50565001
PNG
(CHEMBL4797066)
Show SMILES Cl.CN1CCCCC1CCN1c2c(Cl)cc(Cl)cc2Sc2cc(Cl)cc(Cl)c12
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1.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-5-CT from human 5HT7 receptor expressed in HEK293 cells


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112420
BindingDB Entry DOI: 10.7270/Q2G73JGD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50565001
PNG
(CHEMBL4797066)
Show SMILES Cl.CN1CCCCC1CCN1c2c(Cl)cc(Cl)cc2Sc2cc(Cl)cc(Cl)c12
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1.24E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Ketanserin from human 5HT2A receptor expressed in CHO-K1 cells


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112420
BindingDB Entry DOI: 10.7270/Q2G73JGD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50565000
PNG
(CHEMBL4791959)
Show SMILES Cl.CN1CCCCC1CCN1c2ccc(Br)cc2Sc2cc(Br)ccc12
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1.75E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Ketanserin from human 5HT2A receptor expressed in CHO-K1 cells


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112420
BindingDB Entry DOI: 10.7270/Q2G73JGD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50565002
PNG
(CHEMBL4778666)
Show SMILES Cl.[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1-[#6]-[#6]-[#7]-1-c2ccc(Br)cc2[Se;v2]c2cc(Br)ccc-12
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1.76E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-Ketanserin from human 5HT2A receptor expressed in CHO-K1 cells


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112420
BindingDB Entry DOI: 10.7270/Q2G73JGD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50565000
PNG
(CHEMBL4791959)
Show SMILES Cl.CN1CCCCC1CCN1c2ccc(Br)cc2Sc2cc(Br)ccc12
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2.15E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-5-CT from human 5HT7 receptor expressed in HEK293 cells


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112420
BindingDB Entry DOI: 10.7270/Q2G73JGD
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50565002
PNG
(CHEMBL4778666)
Show SMILES Cl.[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1-[#6]-[#6]-[#7]-1-c2ccc(Br)cc2[Se;v2]c2cc(Br)ccc-12
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2.34E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-5-CT from human 5HT7 receptor expressed in HEK293 cells


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112420
BindingDB Entry DOI: 10.7270/Q2G73JGD
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP10


(Homo sapiens (Human))
BDBM50468579
PNG
(CHEMBL4287262)
Show SMILES NC(=O)c1ccc(Oc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C14H11NO4/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8H,(H2,15,16)(H,17,18)
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n/an/a 180n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human ARTD10 (809 to 1017 residues) expressed in Escherichia coli Rosetta2 (DE3) using SRPK2 as substrate after 1...


Eur J Med Chem 156: 93-102 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.047
BindingDB Entry DOI: 10.7270/Q2P271SW
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP10


(Homo sapiens (Human))
BDBM50468579
PNG
(CHEMBL4287262)
Show SMILES NC(=O)c1ccc(Oc2ccc(cc2)C(O)=O)cc1
Show InChI InChI=1S/C14H11NO4/c15-13(16)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(17)18/h1-8H,(H2,15,16)(H,17,18)
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n/an/a 186n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human ARTD10 (809 to 1017 residues) expressed in Escherichia coli Rosetta2 (DE3) using SRPK2 as substrate after 1...


Eur J Med Chem 156: 93-102 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.047
BindingDB Entry DOI: 10.7270/Q2P271SW
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP10


(Homo sapiens (Human))
BDBM50452662
PNG
(CHEMBL4208737)
Show SMILES NC(=O)c1ccc(OCc2ccccc2F)cc1
Show InChI InChI=1S/C14H12FNO2/c15-13-4-2-1-3-11(13)9-18-12-7-5-10(6-8-12)14(16)17/h1-8H,9H2,(H2,16,17)
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n/an/a 230n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human ARTD10 (809 to 1017 residues) expressed in Escherichia coli Rosetta2 (DE3) using SRPK2 as substrate after 1...


Eur J Med Chem 156: 93-102 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.047
BindingDB Entry DOI: 10.7270/Q2P271SW
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP10


(Homo sapiens (Human))
BDBM50452662
PNG
(CHEMBL4208737)
Show SMILES NC(=O)c1ccc(OCc2ccccc2F)cc1
Show InChI InChI=1S/C14H12FNO2/c15-13-4-2-1-3-11(13)9-18-12-7-5-10(6-8-12)14(16)17/h1-8H,9H2,(H2,16,17)
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n/an/a 234n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human ARTD10 (809 to 1017 residues) expressed in Escherichia coli Rosetta2 (DE3) using SRPK2 as substrate after 1...


Eur J Med Chem 156: 93-102 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.047
BindingDB Entry DOI: 10.7270/Q2P271SW
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP10


(Homo sapiens (Human))
BDBM199181
PNG
(4-[(4-Carbamoylcyclohexyl)oxy]cyclohexane-1-carbox...)
Show SMILES NC(=O)c1ccc(Oc2ccc(cc2)C(N)=O)cc1
Show InChI InChI=1S/C14H12N2O3/c15-13(17)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(16)18/h1-8H,(H2,15,17)(H2,16,18)
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n/an/a 330n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human ARTD10 (809 to 1017 residues) expressed in Escherichia coli Rosetta2 (DE3) using SRPK2 as substrate after 1...


Eur J Med Chem 156: 93-102 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.047
BindingDB Entry DOI: 10.7270/Q2P271SW
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP10


(Homo sapiens (Human))
BDBM199181
PNG
(4-[(4-Carbamoylcyclohexyl)oxy]cyclohexane-1-carbox...)
Show SMILES NC(=O)c1ccc(Oc2ccc(cc2)C(N)=O)cc1
Show InChI InChI=1S/C14H12N2O3/c15-13(17)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(16)18/h1-8H,(H2,15,17)(H2,16,18)
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n/an/a 600n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human ARTD10 (809 to 1017 residues) R931A mutant expressed in Escherichia coli Rosetta2 (DE3) Rosetta2 (DE3) usin...


Eur J Med Chem 156: 93-102 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.047
BindingDB Entry DOI: 10.7270/Q2P271SW
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP10


(Homo sapiens (Human))
BDBM50468581
PNG
(CHEMBL4287655)
Show SMILES NC(=O)c1ccc(Oc2ccc(C=O)cc2)cc1
Show InChI InChI=1S/C14H11NO3/c15-14(17)11-3-7-13(8-4-11)18-12-5-1-10(9-16)2-6-12/h1-9H,(H2,15,17)
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n/an/a 710n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human ARTD10 (809 to 1017 residues) expressed in Escherichia coli Rosetta2 (DE3) using SRPK2 as substrate after 1...


Eur J Med Chem 156: 93-102 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.047
BindingDB Entry DOI: 10.7270/Q2P271SW
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP10


(Homo sapiens (Human))
BDBM50468581
PNG
(CHEMBL4287655)
Show SMILES NC(=O)c1ccc(Oc2ccc(C=O)cc2)cc1
Show InChI InChI=1S/C14H11NO3/c15-14(17)11-3-7-13(8-4-11)18-12-5-1-10(9-16)2-6-12/h1-9H,(H2,15,17)
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n/an/a 710n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human ARTD10 (809 to 1017 residues) expressed in Escherichia coli Rosetta2 (DE3) using SRPK2 as substrate after 1...


Eur J Med Chem 156: 93-102 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.047
BindingDB Entry DOI: 10.7270/Q2P271SW
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP10


(Homo sapiens (Human))
BDBM50468593
PNG
(CHEMBL4277717)
Show SMILES NC(=O)c1ccc(OC2CCC2)cc1
Show InChI InChI=1S/C11H13NO2/c12-11(13)8-4-6-10(7-5-8)14-9-2-1-3-9/h4-7,9H,1-3H2,(H2,12,13)
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n/an/a 720n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human ARTD10 (809 to 1017 residues) expressed in Escherichia coli Rosetta2 (DE3) using SRPK2 as substrate after 1...


Eur J Med Chem 156: 93-102 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.047
BindingDB Entry DOI: 10.7270/Q2P271SW
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP10


(Homo sapiens (Human))
BDBM50468593
PNG
(CHEMBL4277717)
Show SMILES NC(=O)c1ccc(OC2CCC2)cc1
Show InChI InChI=1S/C11H13NO2/c12-11(13)8-4-6-10(7-5-8)14-9-2-1-3-9/h4-7,9H,1-3H2,(H2,12,13)
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n/an/a 724n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human ARTD10 (809 to 1017 residues) expressed in Escherichia coli Rosetta2 (DE3) using SRPK2 as substrate after 1...


Eur J Med Chem 156: 93-102 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.047
BindingDB Entry DOI: 10.7270/Q2P271SW
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP10


(Homo sapiens (Human))
BDBM50468581
PNG
(CHEMBL4287655)
Show SMILES NC(=O)c1ccc(Oc2ccc(C=O)cc2)cc1
Show InChI InChI=1S/C14H11NO3/c15-14(17)11-3-7-13(8-4-11)18-12-5-1-10(9-16)2-6-12/h1-9H,(H2,15,17)
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of ARTD10 (unknown origin)-induced cell death expressed in human HeLa cells after 10 days by methylene blue staining based colony formatio...


Eur J Med Chem 156: 93-102 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.047
BindingDB Entry DOI: 10.7270/Q2P271SW
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP10


(Homo sapiens (Human))
BDBM50468583
PNG
(CHEMBL4277025)
Show SMILES NC(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C13H11NO2/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h1-9H,(H2,14,15)
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human ARTD10 (809 to 1017 residues) expressed in Escherichia coli Rosetta2 (DE3) using SRPK2 as substrate after 1...


Eur J Med Chem 156: 93-102 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.047
BindingDB Entry DOI: 10.7270/Q2P271SW
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP10


(Homo sapiens (Human))
BDBM50468583
PNG
(CHEMBL4277025)
Show SMILES NC(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C13H11NO2/c14-13(15)10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h1-9H,(H2,14,15)
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n/an/a 1.15E+3n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human ARTD10 (809 to 1017 residues) expressed in Escherichia coli Rosetta2 (DE3) using SRPK2 as substrate after 1...


Eur J Med Chem 156: 93-102 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.047
BindingDB Entry DOI: 10.7270/Q2P271SW
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP10


(Homo sapiens (Human))
BDBM50468592
PNG
(CHEMBL4283907)
Show SMILES NC(=O)c1ccc(Oc2ccc(N)cc2)cc1
Show InChI InChI=1S/C13H12N2O2/c14-10-3-7-12(8-4-10)17-11-5-1-9(2-6-11)13(15)16/h1-8H,14H2,(H2,15,16)
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n/an/a 1.26E+3n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human ARTD10 (809 to 1017 residues) expressed in Escherichia coli Rosetta2 (DE3) using SRPK2 as substrate after 1...


Eur J Med Chem 156: 93-102 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.047
BindingDB Entry DOI: 10.7270/Q2P271SW
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP10


(Homo sapiens (Human))
BDBM50468578
PNG
(CHEMBL4285656)
Show SMILES CC(C)Oc1ccc(cc1)C(N)=O
Show InChI InChI=1S/C10H13NO2/c1-7(2)13-9-5-3-8(4-6-9)10(11)12/h3-7H,1-2H3,(H2,11,12)
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n/an/a 1.26E+3n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human ARTD10 (809 to 1017 residues) expressed in Escherichia coli Rosetta2 (DE3) using SRPK2 as substrate after 1...


Eur J Med Chem 156: 93-102 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.047
BindingDB Entry DOI: 10.7270/Q2P271SW
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP10


(Homo sapiens (Human))
BDBM50468592
PNG
(CHEMBL4283907)
Show SMILES NC(=O)c1ccc(Oc2ccc(N)cc2)cc1
Show InChI InChI=1S/C13H12N2O2/c14-10-3-7-12(8-4-10)17-11-5-1-9(2-6-11)13(15)16/h1-8H,14H2,(H2,15,16)
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n/an/a 1.30E+3n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human ARTD10 (809 to 1017 residues) expressed in Escherichia coli Rosetta2 (DE3) using SRPK2 as substrate after 1...


Eur J Med Chem 156: 93-102 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.047
BindingDB Entry DOI: 10.7270/Q2P271SW
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP10


(Homo sapiens (Human))
BDBM50468578
PNG
(CHEMBL4285656)
Show SMILES CC(C)Oc1ccc(cc1)C(N)=O
Show InChI InChI=1S/C10H13NO2/c1-7(2)13-9-5-3-8(4-6-9)10(11)12/h3-7H,1-2H3,(H2,11,12)
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n/an/a 1.30E+3n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human ARTD10 (809 to 1017 residues) expressed in Escherichia coli Rosetta2 (DE3) using SRPK2 as substrate after 1...


Eur J Med Chem 156: 93-102 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.047
BindingDB Entry DOI: 10.7270/Q2P271SW
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP10


(Homo sapiens (Human))
BDBM50468594
PNG
(CHEMBL3278113)
Show SMILES NC(=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C14H13NO2/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,15,16)
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n/an/a 1.35E+3n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human ARTD10 (809 to 1017 residues) expressed in Escherichia coli Rosetta2 (DE3) using SRPK2 as substrate after 1...


Eur J Med Chem 156: 93-102 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.047
BindingDB Entry DOI: 10.7270/Q2P271SW
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP10


(Homo sapiens (Human))
BDBM50468585
PNG
(CHEMBL4278641)
Show SMILES NC(=O)c1ccc(OCc2ccccn2)cc1
Show InChI InChI=1S/C13H12N2O2/c14-13(16)10-4-6-12(7-5-10)17-9-11-3-1-2-8-15-11/h1-8H,9H2,(H2,14,16)
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n/an/a 1.35E+3n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human ARTD10 (809 to 1017 residues) expressed in Escherichia coli Rosetta2 (DE3) using SRPK2 as substrate after 1...


Eur J Med Chem 156: 93-102 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.047
BindingDB Entry DOI: 10.7270/Q2P271SW
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP10


(Homo sapiens (Human))
BDBM199181
PNG
(4-[(4-Carbamoylcyclohexyl)oxy]cyclohexane-1-carbox...)
Show SMILES NC(=O)c1ccc(Oc2ccc(cc2)C(N)=O)cc1
Show InChI InChI=1S/C14H12N2O3/c15-13(17)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(16)18/h1-8H,(H2,15,17)(H2,16,18)
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n/an/a 1.35E+3n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of ARTD10 (unknown origin)-induced cell death expressed in human HeLa cells after 10 days by methylene blue staining based colony formatio...


Eur J Med Chem 156: 93-102 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.047
BindingDB Entry DOI: 10.7270/Q2P271SW
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP10


(Homo sapiens (Human))
BDBM50468585
PNG
(CHEMBL4278641)
Show SMILES NC(=O)c1ccc(OCc2ccccn2)cc1
Show InChI InChI=1S/C13H12N2O2/c14-13(16)10-4-6-12(7-5-10)17-9-11-3-1-2-8-15-11/h1-8H,9H2,(H2,14,16)
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University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human ARTD10 (809 to 1017 residues) expressed in Escherichia coli Rosetta2 (DE3) using SRPK2 as substrate after 1...


Eur J Med Chem 156: 93-102 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.047
BindingDB Entry DOI: 10.7270/Q2P271SW
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP10


(Homo sapiens (Human))
BDBM50468580
PNG
(CHEMBL4294485)
Show SMILES COc1ccc(Oc2ccc(cc2)C(N)=O)cc1
Show InChI InChI=1S/C14H13NO3/c1-17-11-6-8-13(9-7-11)18-12-4-2-10(3-5-12)14(15)16/h2-9H,1H3,(H2,15,16)
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n/an/a 1.38E+3n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human ARTD10 (809 to 1017 residues) expressed in Escherichia coli Rosetta2 (DE3) using SRPK2 as substrate after 1...


Eur J Med Chem 156: 93-102 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.047
BindingDB Entry DOI: 10.7270/Q2P271SW
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP10


(Homo sapiens (Human))
BDBM50468594
PNG
(CHEMBL3278113)
Show SMILES NC(=O)c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C14H13NO2/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,15,16)
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n/an/a 1.40E+3n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human ARTD10 (809 to 1017 residues) expressed in Escherichia coli Rosetta2 (DE3) using SRPK2 as substrate after 1...


Eur J Med Chem 156: 93-102 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.047
BindingDB Entry DOI: 10.7270/Q2P271SW
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP10


(Homo sapiens (Human))
BDBM50468587
PNG
(CHEMBL4289980)
Show SMILES NC(=O)c1ccc(OCc2cccc3ccccc23)cc1
Show InChI InChI=1S/C18H15NO2/c19-18(20)14-8-10-16(11-9-14)21-12-15-6-3-5-13-4-1-2-7-17(13)15/h1-11H,12H2,(H2,19,20)
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n/an/a 1.40E+3n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human ARTD10 (809 to 1017 residues) expressed in Escherichia coli Rosetta2 (DE3) using SRPK2 as substrate after 1...


Eur J Med Chem 156: 93-102 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.047
BindingDB Entry DOI: 10.7270/Q2P271SW
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP10


(Homo sapiens (Human))
BDBM50468580
PNG
(CHEMBL4294485)
Show SMILES COc1ccc(Oc2ccc(cc2)C(N)=O)cc1
Show InChI InChI=1S/C14H13NO3/c1-17-11-6-8-13(9-7-11)18-12-4-2-10(3-5-12)14(15)16/h2-9H,1H3,(H2,15,16)
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University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human ARTD10 (809 to 1017 residues) expressed in Escherichia coli Rosetta2 (DE3) using SRPK2 as substrate after 1...


Eur J Med Chem 156: 93-102 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.047
BindingDB Entry DOI: 10.7270/Q2P271SW
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP10


(Homo sapiens (Human))
BDBM50468587
PNG
(CHEMBL4289980)
Show SMILES NC(=O)c1ccc(OCc2cccc3ccccc23)cc1
Show InChI InChI=1S/C18H15NO2/c19-18(20)14-8-10-16(11-9-14)21-12-15-6-3-5-13-4-1-2-7-17(13)15/h1-11H,12H2,(H2,19,20)
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n/an/a 1.45E+3n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human ARTD10 (809 to 1017 residues) expressed in Escherichia coli Rosetta2 (DE3) using SRPK2 as substrate after 1...


Eur J Med Chem 156: 93-102 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.047
BindingDB Entry DOI: 10.7270/Q2P271SW
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP10


(Homo sapiens (Human))
BDBM50468586
PNG
(CHEMBL4277166)
Show SMILES NC(=O)c1ccc(Oc2ccccc2F)cc1
Show InChI InChI=1S/C13H10FNO2/c14-11-3-1-2-4-12(11)17-10-7-5-9(6-8-10)13(15)16/h1-8H,(H2,15,16)
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human ARTD10 (809 to 1017 residues) expressed in Escherichia coli Rosetta2 (DE3) using SRPK2 as substrate after 1...


Eur J Med Chem 156: 93-102 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.047
BindingDB Entry DOI: 10.7270/Q2P271SW
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP10


(Homo sapiens (Human))
BDBM50468586
PNG
(CHEMBL4277166)
Show SMILES NC(=O)c1ccc(Oc2ccccc2F)cc1
Show InChI InChI=1S/C13H10FNO2/c14-11-3-1-2-4-12(11)17-10-7-5-9(6-8-10)13(15)16/h1-8H,(H2,15,16)
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University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human ARTD10 (809 to 1017 residues) expressed in Escherichia coli Rosetta2 (DE3) using SRPK2 as substrate after 1...


Eur J Med Chem 156: 93-102 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.047
BindingDB Entry DOI: 10.7270/Q2P271SW
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP10


(Homo sapiens (Human))
BDBM50468582
PNG
(CHEMBL4279332)
Show SMILES NC(=O)c1ccc(Oc2ccc(O)cc2)cc1
Show InChI InChI=1S/C13H11NO3/c14-13(16)9-1-5-11(6-2-9)17-12-7-3-10(15)4-8-12/h1-8,15H,(H2,14,16)
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n/an/a 1.74E+3n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human ARTD10 (809 to 1017 residues) expressed in Escherichia coli Rosetta2 (DE3) using SRPK2 as substrate after 1...


Eur J Med Chem 156: 93-102 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.047
BindingDB Entry DOI: 10.7270/Q2P271SW
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP10


(Homo sapiens (Human))
BDBM50468582
PNG
(CHEMBL4279332)
Show SMILES NC(=O)c1ccc(Oc2ccc(O)cc2)cc1
Show InChI InChI=1S/C13H11NO3/c14-13(16)9-1-5-11(6-2-9)17-12-7-3-10(15)4-8-12/h1-8,15H,(H2,14,16)
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n/an/a 1.80E+3n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human ARTD10 (809 to 1017 residues) expressed in Escherichia coli Rosetta2 (DE3) using SRPK2 as substrate after 1...


Eur J Med Chem 156: 93-102 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.047
BindingDB Entry DOI: 10.7270/Q2P271SW
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP10


(Homo sapiens (Human))
BDBM50468595
PNG
(CHEMBL4293979)
Show SMILES NC(=O)c1ccc(OCCOc2ccccc2)cc1
Show InChI InChI=1S/C15H15NO3/c16-15(17)12-6-8-14(9-7-12)19-11-10-18-13-4-2-1-3-5-13/h1-9H,10-11H2,(H2,16,17)
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n/an/a 1.90E+3n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human ARTD10 (809 to 1017 residues) expressed in Escherichia coli Rosetta2 (DE3) using SRPK2 as substrate after 1...


Eur J Med Chem 156: 93-102 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.047
BindingDB Entry DOI: 10.7270/Q2P271SW
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP10


(Homo sapiens (Human))
BDBM50468595
PNG
(CHEMBL4293979)
Show SMILES NC(=O)c1ccc(OCCOc2ccccc2)cc1
Show InChI InChI=1S/C15H15NO3/c16-15(17)12-6-8-14(9-7-12)19-11-10-18-13-4-2-1-3-5-13/h1-9H,10-11H2,(H2,16,17)
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n/an/a 1.95E+3n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human ARTD10 (809 to 1017 residues) expressed in Escherichia coli Rosetta2 (DE3) using SRPK2 as substrate after 1...


Eur J Med Chem 156: 93-102 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.047
BindingDB Entry DOI: 10.7270/Q2P271SW
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP10


(Homo sapiens (Human))
BDBM50452662
PNG
(CHEMBL4208737)
Show SMILES NC(=O)c1ccc(OCc2ccccc2F)cc1
Show InChI InChI=1S/C14H12FNO2/c15-13-4-2-1-3-11(13)9-18-12-7-5-10(6-8-12)14(16)17/h1-8H,9H2,(H2,16,17)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of ARTD10 (unknown origin)-induced cell death expressed in human HeLa cells after 10 days by methylene blue staining based colony formatio...


Eur J Med Chem 156: 93-102 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.047
BindingDB Entry DOI: 10.7270/Q2P271SW
More data for this
Ligand-Target Pair
Protein mono-ADP-ribosyltransferase PARP10


(Homo sapiens (Human))
BDBM50468589
PNG
(CHEMBL4293554)
Show SMILES NC(=O)c1ccc(COc2ccc(cc2)C(N)=O)cc1
Show InChI InChI=1S/C15H14N2O3/c16-14(18)11-3-1-10(2-4-11)9-20-13-7-5-12(6-8-13)15(17)19/h1-8H,9H2,(H2,16,18)(H2,17,19)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



University of Oulu

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His-tagged human ARTD10 (809 to 1017 residues) expressed in Escherichia coli Rosetta2 (DE3) using SRPK2 as substrate after 1...


Eur J Med Chem 156: 93-102 (2018)


Article DOI: 10.1016/j.ejmech.2018.06.047
BindingDB Entry DOI: 10.7270/Q2P271SW
More data for this
Ligand-Target Pair
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