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PubChem AID 743297

Compile Data Set for Download or QSAR

Found 222 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
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM34905
PNG
(1,6-dimethyl-3-propyl-pyrimido[5,4-e][1,2,4]triazi...)
Show SMILES CCCc1nn(C)c2nc(=O)n(C)c(=O)c2n1
Show InChI InChI=1S/C10H13N5O2/c1-4-5-6-11-7-8(15(3)13-6)12-10(17)14(2)9(7)16/h4-5H2,1-3H3
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n/an/a 161n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2WS8RXV
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM51771
PNG
(1,6-dimethyl-3-(2-pyridinyl)pyrimido[5,4-e][1,2,4]...)
Show SMILES Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccn1
Show InChI InChI=1S/C12H10N6O2/c1-17-11(19)8-10(15-12(17)20)18(2)16-9(14-8)7-5-3-4-6-13-7/h3-6H,1-2H3
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n/an/a 210n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2WS8RXV
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM70879
PNG
(4-[bis(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl...)
Show SMILES Cc1[nH]n(-c2ccccc2)c(=O)c1C(c1c(C)[nH]n(-c2ccccc2)c1=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C28H24N4O4/c1-17-23(26(33)31(29-17)21-9-5-3-6-10-21)25(19-13-15-20(16-14-19)28(35)36)24-18(2)30-32(27(24)34)22-11-7-4-8-12-22/h3-16,25,29-30H,1-2H3,(H,35,36)
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n/an/a 528n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2WS8RXV
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM80987
PNG
(2-chloranyl-3-(4-methylpiperazin-1-yl)naphthalene-...)
Show SMILES CN1CCN(CC1)C1=C(Cl)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C15H15ClN2O2/c1-17-6-8-18(9-7-17)13-12(16)14(19)10-4-2-3-5-11(10)15(13)20/h2-5H,6-9H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2WS8RXV
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM47978
PNG
((NZ)-N-[3-(4-hydroxyanilino)-4-keto-1-naphthyliden...)
Show SMILES Oc1ccc(NC2=CC(=NS(=O)(=O)c3cccs3)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C20H14N2O4S2/c23-14-9-7-13(8-10-14)21-18-12-17(15-4-1-2-5-16(15)20(18)24)22-28(25,26)19-6-3-11-27-19/h1-12,21,23H
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n/an/a 698n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2WS8RXV
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM95464
PNG
(4-[[(4Z)-1-keto-4-(2-thienylsulfonylimino)-2-napht...)
Show SMILES OC(=O)c1ccc(NC2=CC(=NS(=O)(=O)c3cccs3)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C21H14N2O5S2/c24-20-16-5-2-1-4-15(16)17(23-30(27,28)19-6-3-11-29-19)12-18(20)22-14-9-7-13(8-10-14)21(25)26/h1-12,22H,(H,25,26)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2WS8RXV
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM80754
PNG
(1-amino-8-methoxy-benzo[f]quinazoline-7,10-quinone...)
Show SMILES COC1=CC(=O)c2c(ccc3ncnc(N)c23)C1=O
Show InChI InChI=1S/C13H9N3O3/c1-19-9-4-8(17)10-6(12(9)18)2-3-7-11(10)13(14)16-5-15-7/h2-5H,1H3,(H2,14,15,16)
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n/an/a 842n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2WS8RXV
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM60311
PNG
(2-methyl-4,5-dioxo-3H-benzo[e]indole-1-carboxylic ...)
Show SMILES CCOC(=O)c1c(C)[nH]c2c1-c1ccccc1C(=O)C2=O
Show InChI InChI=1S/C16H13NO4/c1-3-21-16(20)11-8(2)17-13-12(11)9-6-4-5-7-10(9)14(18)15(13)19/h4-7,17H,3H2,1-2H3
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n/an/a 915n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2WS8RXV
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM80810
PNG
(7-amino-6-chloro-5,8-diketo-naphthalene-2-sulfonam...)
Show SMILES NC1=C(Cl)C(=O)c2ccc(cc2C1=O)S(N)(=O)=O
Show InChI InChI=1S/C10H7ClN2O4S/c11-7-8(12)10(15)6-3-4(18(13,16)17)1-2-5(6)9(7)14/h1-3H,12H2,(H2,13,16,17)
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n/an/a 1.07E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2WS8RXV
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM64030
PNG
(3-Amino-6,6-dimethyl-2-phenyl-2,8-dihydro-6H-pyran...)
Show SMILES CC1(C)Cc2c(CO1)nn(-c1ccccc1)c(=N)c2C#N
Show InChI InChI=1S/C16H16N4O/c1-16(2)8-12-13(9-17)15(18)20(19-14(12)10-21-16)11-6-4-3-5-7-11/h3-7,18H,8,10H2,1-2H3
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n/an/a 1.27E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2WS8RXV
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM48003
PNG
(2-Methyl-8-morpholin-4-yl-5,6-dioxo-5,6-dihydro-qu...)
Show SMILES COC(=O)c1cc(C)nc2C(=CC(=O)C(=O)c12)N1CCOCC1
Show InChI InChI=1S/C16H16N2O5/c1-9-7-10(16(21)22-2)13-14(17-9)11(8-12(19)15(13)20)18-3-5-23-6-4-18/h7-8H,3-6H2,1-2H3
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n/an/a 1.33E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2WS8RXV
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM50099737
PNG
(2-Amino-phenanthrene-9,10-dione | CHEMBL417727 | U...)
Show SMILES Nc1ccc-2c(c1)C(=O)C(=O)c1ccccc-21
Show InChI InChI=1S/C14H9NO2/c15-8-5-6-10-9-3-1-2-4-11(9)13(16)14(17)12(10)7-8/h1-7H,15H2
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n/an/a 1.34E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2WS8RXV
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM48038
PNG
(4-[(E)-[3-(2-methylanilino)-4-oxo-1-naphthalenylid...)
Show SMILES Cc1ccccc1NC1=CC(=NS(=O)(=O)c2ccc(cc2)C(O)=O)c2ccccc2C1=O
Show InChI InChI=1S/C24H18N2O5S/c1-15-6-2-5-9-20(15)25-22-14-21(18-7-3-4-8-19(18)23(22)27)26-32(30,31)17-12-10-16(11-13-17)24(28)29/h2-14,25H,1H3,(H,28,29)
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n/an/a 1.41E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2WS8RXV
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM33185
PNG
(4-({(4Z)-1-oxo-4-[(phenylsulfonyl)imino]-1,4-dihyd...)
Show SMILES OC(=O)c1ccc(NC2=CC(=NS(=O)(=O)c3ccccc3)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C23H16N2O5S/c26-22-19-9-5-4-8-18(19)20(25-31(29,30)17-6-2-1-3-7-17)14-21(22)24-16-12-10-15(11-13-16)23(27)28/h1-14,24H,(H,27,28)
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n/an/a 1.88E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2WS8RXV
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM22857
PNG
(1,2-Dione-Based Compound, 14 | 9,10-dihydrophenant...)
Show SMILES O=C1C(=O)c2ccccc2-c2ccccc12
Show InChI InChI=1S/C14H8O2/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16/h1-8H
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The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2WS8RXV
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM48036
PNG
(3-[[(4E)-4-(4-ethylphenyl)sulfonylimino-1-keto-2-n...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)N=C1C=C(Nc2cccc(c2)C(O)=O)C(=O)c2ccccc12
Show InChI InChI=1S/C25H20N2O5S/c1-2-16-10-12-19(13-11-16)33(31,32)27-22-15-23(24(28)21-9-4-3-8-20(21)22)26-18-7-5-6-17(14-18)25(29)30/h3-15,26H,2H2,1H3,(H,29,30)
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n/an/a 2.20E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2WS8RXV
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM54416
PNG
(4-(4-morpholinyl)naphthalene-1,2-dione | 4-Morphol...)
Show SMILES O=C1C=C(N2CCOCC2)c2ccccc2C1=O
Show InChI InChI=1S/C14H13NO3/c16-13-9-12(15-5-7-18-8-6-15)10-3-1-2-4-11(10)14(13)17/h1-4,9H,5-8H2
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n/an/a 2.55E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2WS8RXV
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM48039
PNG
(3-[[(4E)-4-(2,4-dimethylphenyl)sulfonylimino-1-ket...)
Show SMILES Cc1ccc(c(C)c1)S(=O)(=O)N=C1C=C(Nc2cccc(c2)C(O)=O)C(=O)c2ccccc12
Show InChI InChI=1S/C25H20N2O5S/c1-15-10-11-23(16(2)12-15)33(31,32)27-21-14-22(24(28)20-9-4-3-8-19(20)21)26-18-7-5-6-17(13-18)25(29)30/h3-14,26H,1-2H3,(H,29,30)
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n/an/a 2.58E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2WS8RXV
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM80755
PNG
(6-amino-7-bromo-quinoline-5,8-quinone | 6-amino-7-...)
Show SMILES NC1=C(Br)C(=O)c2ncccc2C1=O
Show InChI InChI=1S/C9H5BrN2O2/c10-5-6(11)8(13)4-2-1-3-12-7(4)9(5)14/h1-3H,11H2
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n/an/a 2.66E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2WS8RXV
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM48028
PNG
(3-[[(4E)-1-keto-4-tosylimino-2-naphthyl]amino]benz...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N=C1C=C(Nc2cccc(c2)C(O)=O)C(=O)c2ccccc12
Show InChI InChI=1S/C24H18N2O5S/c1-15-9-11-18(12-10-15)32(30,31)26-21-14-22(23(27)20-8-3-2-7-19(20)21)25-17-6-4-5-16(13-17)24(28)29/h2-14,25H,1H3,(H,28,29)
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n/an/a 3.18E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2WS8RXV
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM32085
PNG
(MLS000085603 | N-(2-hydroxy-1,3-diketo-indan-2-yl)...)
Show SMILES OC1(NC(=O)c2ccccc2)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C16H11NO4/c18-13-11-8-4-5-9-12(11)14(19)16(13,21)17-15(20)10-6-2-1-3-7-10/h1-9,21H,(H,17,20)
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n/an/a 3.27E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2WS8RXV
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM70782
PNG
((NZ)-N-[4-keto-3-(p-toluidino)-1-naphthylidene]thi...)
Show SMILES Cc1ccc(NC2=CC(=NS(=O)(=O)c3cccs3)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C21H16N2O3S2/c1-14-8-10-15(11-9-14)22-19-13-18(16-5-2-3-6-17(16)21(19)24)23-28(25,26)20-7-4-12-27-20/h2-13,22H,1H3
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n/an/a 3.30E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2WS8RXV
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM94759
PNG
(4-[(5-methyl-1,2-oxazol-3-yl)amino]naphthalene-1,2...)
Show SMILES Cc1cc(NC2=CC(=O)C(=O)c3ccccc23)no1
Show InChI InChI=1S/C14H10N2O3/c1-8-6-13(16-19-8)15-11-7-12(17)14(18)10-5-3-2-4-9(10)11/h2-7H,1H3,(H,15,16)
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n/an/a 3.52E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2WS8RXV
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM61232
PNG
((2-bromanyl-4,5-dimethoxy-phenyl)-(6,7-dimethoxyis...)
Show SMILES COc1cc(Br)c(cc1OC)C(=O)c1nccc2cc(OC)c(OC)cc12
Show InChI InChI=1S/C20H18BrNO5/c1-24-15-7-11-5-6-22-19(12(11)8-16(15)25-2)20(23)13-9-17(26-3)18(27-4)10-14(13)21/h5-10H,1-4H3
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n/an/a 3.53E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2WS8RXV
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM64796
PNG
(MLS000861878 | N-(2-hydroxy-1,3-diketo-indan-2-yl)...)
Show SMILES OC1(NC(=O)c2ccc(cc2)C(F)(F)F)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C17H10F3NO4/c18-17(19,20)10-7-5-9(6-8-10)15(24)21-16(25)13(22)11-3-1-2-4-12(11)14(16)23/h1-8,25H,(H,21,24)
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n/an/a 3.85E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2WS8RXV
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM114198
PNG
(4-(3-pyridinylamino)naphthalene-1,2-dione | 4-(3-p...)
Show SMILES O=C1C=C(Nc2cccnc2)c2ccccc2C1=O
Show InChI InChI=1S/C15H10N2O2/c18-14-8-13(17-10-4-3-7-16-9-10)11-5-1-2-6-12(11)15(14)19/h1-9,17H
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n/an/a 4.03E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2WS8RXV
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM64790
PNG
(3a,8b-Dihydroxy-2-methyl-4-oxo-4,8b-dihydro-3aH-in...)
Show SMILES CCOC(=O)C1=C(C)OC2(O)c3ccccc3C(=O)C12O
Show InChI InChI=1S/C15H14O6/c1-3-20-13(17)11-8(2)21-15(19)10-7-5-4-6-9(10)12(16)14(11,15)18/h4-7,18-19H,3H2,1-2H3
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n/an/a 4.11E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2WS8RXV
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM46593
PNG
(2,6-bis(chloranyl)-N-[2-oxidanyl-1,3-bis(oxidanyli...)
Show SMILES OC1(NC(=O)c2c(Cl)cccc2Cl)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C16H9Cl2NO4/c17-10-6-3-7-11(18)12(10)15(22)19-16(23)13(20)8-4-1-2-5-9(8)14(16)21/h1-7,23H,(H,19,22)
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n/an/a 4.20E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2WS8RXV
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM91519
PNG
(2-chloranyl-6-methoxy-quinoline-5,8-dione | 2-chlo...)
Show SMILES COC1=CC(=O)c2nc(Cl)ccc2C1=O
Show InChI InChI=1S/C10H6ClNO3/c1-15-7-4-6(13)9-5(10(7)14)2-3-8(11)12-9/h2-4H,1H3
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n/an/a 4.47E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2WS8RXV
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM35523
PNG
(1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro...)
Show SMILES COc1cc2CC3N(C)CCc4cc(OC)c(OC)c(-c2cc1OC)c34
Show InChI InChI=1S/C21H25NO4/c1-22-7-6-12-9-18(25-4)21(26-5)20-14-11-17(24-3)16(23-2)10-13(14)8-15(22)19(12)20/h9-11,15H,6-8H2,1-5H3
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n/an/a 4.60E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2WS8RXV
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM34798
PNG
(MLS000665358 | N-[1,4-bis(oxidanylidene)-3-(propyl...)
Show SMILES CCC=Nc1c(O)c2ccccc2c(O)c1N(C(C)=O)c1cccc(F)c1
Show InChI InChI=1S/C21H19FN2O3/c1-3-11-23-18-19(21(27)17-10-5-4-9-16(17)20(18)26)24(13(2)25)15-8-6-7-14(22)12-15/h4-12,26-27H,3H2,1-2H3
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n/an/a 4.75E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2WS8RXV
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM30722
PNG
(MLS000068755 | N-(1-butyl-3-cyano-2-pyrrolo[3,2-b]...)
Show SMILES CCCCn1c(NC(=O)c2ccccc2Cl)c(C#N)c2nc3ccccc3nc12
Show InChI InChI=1S/C22H18ClN5O/c1-2-3-12-28-20(27-22(29)14-8-4-5-9-16(14)23)15(13-24)19-21(28)26-18-11-7-6-10-17(18)25-19/h4-11H,2-3,12H2,1H3,(H,27,29)
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n/an/a 4.76E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2WS8RXV
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM114202
PNG
(2-methyl-4,5-dioxo-3-(phenylmethyl)-1-benzo[e]indo...)
Show SMILES CCOC(=O)c1c(C)n(Cc2ccccc2)c2c1-c1ccccc1C(=O)C2=O
Show InChI InChI=1S/C23H19NO4/c1-3-28-23(27)18-14(2)24(13-15-9-5-4-6-10-15)20-19(18)16-11-7-8-12-17(16)21(25)22(20)26/h4-12H,3,13H2,1-2H3
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n/an/a 4.78E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2WS8RXV
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM81248
PNG
(7-[2-(3,5-dibromo-4-hydroxy-phenyl)ethylamino]quin...)
Show SMILES Oc1cc(N=CCc2cc(Br)c(O)c(Br)c2)c(O)c2ncccc12
Show InChI InChI=1S/C17H12Br2N2O3/c18-11-6-9(7-12(19)16(11)23)3-5-20-13-8-14(22)10-2-1-4-21-15(10)17(13)24/h1-2,4-8,22-24H,3H2
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n/an/a 5.04E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2WS8RXV
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM42237
PNG
(3'-(1-naphthalenyl)spiro[indene-2,2'-oxirane]-1,3-...)
Show SMILES O=C1c2ccccc2C(=O)C11OC1c1cccc2ccccc12
Show InChI InChI=1S/C20H12O3/c21-17-14-9-3-4-10-15(14)18(22)20(17)19(23-20)16-11-5-7-12-6-1-2-8-13(12)16/h1-11,19H
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n/an/a 5.07E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2WS8RXV
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM53434
PNG
(4-(1-piperidinyl)-1,2-naphthalenedione | 4-(1-pipe...)
Show SMILES O=C1C=C(N2CCCCC2)c2ccccc2C1=O
Show InChI InChI=1S/C15H15NO2/c17-14-10-13(16-8-4-1-5-9-16)11-6-2-3-7-12(11)15(14)18/h2-3,6-7,10H,1,4-5,8-9H2
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n/an/a 5.32E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2WS8RXV
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM42209
PNG
(MLS000532824 | N'-(1,3-dioxo-1,3-dihydro-2H-in...)
Show SMILES O=C(NN=c1c(=O)c2ccccc2c1=O)c1ccccc1
Show InChI InChI=1S/C16H10N2O3/c19-14-11-8-4-5-9-12(11)15(20)13(14)17-18-16(21)10-6-2-1-3-7-10/h1-9H,(H,18,21)
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n/an/a 5.36E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2WS8RXV
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM80759
PNG
(7-[(1-hydroxy-1-phenylpropan-2-yl)amino]quinoline-...)
Show SMILES CC(Nc1cc(O)c2cccnc2c1O)C(=O)c1ccccc1
Show InChI InChI=1S/C18H16N2O3/c1-11(17(22)12-6-3-2-4-7-12)20-14-10-15(21)13-8-5-9-19-16(13)18(14)23/h2-11,20-21,23H,1H3
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n/an/a 5.45E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2WS8RXV
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM61233
PNG
(4-[(3,4-diketo-1-naphthyl)amino]benzenesulfonamide...)
Show SMILES NS(=O)(=O)c1ccc(NC2=CC(=O)C(=O)c3ccccc23)cc1
Show InChI InChI=1S/C16H12N2O4S/c17-23(21,22)11-7-5-10(6-8-11)18-14-9-15(19)16(20)13-4-2-1-3-12(13)14/h1-9,18H,(H2,17,21,22)
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n/an/a 5.59E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2WS8RXV
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM61226
PNG
(3,4-dimethyl-N-[2-oxidanyl-1,3-bis(oxidanylidene)i...)
Show SMILES Cc1ccc(cc1C)C(=O)NC1(O)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C18H15NO4/c1-10-7-8-12(9-11(10)2)17(22)19-18(23)15(20)13-5-3-4-6-14(13)16(18)21/h3-9,23H,1-2H3,(H,19,22)
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n/an/a 5.74E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2WS8RXV
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM91515
PNG
(8-aminoquinoline-5,6-dione | 8-aminoquinoline-5,6-...)
Show SMILES NC1=CC(=O)C(=O)c2cccnc12
Show InChI InChI=1S/C9H6N2O2/c10-6-4-7(12)9(13)5-2-1-3-11-8(5)6/h1-4H,10H2
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n/an/a 5.99E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2WS8RXV
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM70843
PNG
((6aS)-1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetr...)
Show SMILES COc1cc2C[C@@H]3[NH+](C)CCc4cc(OC)c(OC)c(-c2cc1OC)c34
Show InChI InChI=1S/C21H25NO4/c1-22-7-6-12-9-18(25-4)21(26-5)20-14-11-17(24-3)16(23-2)10-13(14)8-15(22)19(12)20/h9-11,15H,6-8H2,1-5H3/p+1/t15-/m0/s1
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n/an/a 6.22E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2WS8RXV
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM41831
PNG
(Acetic acid N'-[3-oxo-3H-benzo[b]thiophen-(2Z)...)
Show SMILES CC(=O)N(N=C1Sc2ccccc2C1=O)c1cccc(C)c1
Show InChI InChI=1S/C17H14N2O2S/c1-11-6-5-7-13(10-11)19(12(2)20)18-17-16(21)14-8-3-4-9-15(14)22-17/h3-10H,1-2H3
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n/an/a 6.48E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2WS8RXV
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM61179
PNG
(2-(3,4-Dioxo-3,4-dihydro-naphthalen-1-ylamino)-ben...)
Show SMILES OC(=O)c1ccccc1NC1=CC(=O)C(=O)c2ccccc12
Show InChI InChI=1S/C17H11NO4/c19-15-9-14(10-5-1-2-6-11(10)16(15)20)18-13-8-4-3-7-12(13)17(21)22/h1-9,18H,(H,21,22)
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n/an/a 6.56E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2WS8RXV
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM71412
PNG
(4-[1-(4-methoxyphenyl)-2-nitro-ethyl]-5-methyl-2-p...)
Show SMILES COc1ccc(cc1)C(C[N+]([O-])=O)c1c(C)[nH]n(-c2ccccc2)c1=O
Show InChI InChI=1S/C19H19N3O4/c1-13-18(19(23)22(20-13)15-6-4-3-5-7-15)17(12-21(24)25)14-8-10-16(26-2)11-9-14/h3-11,17,20H,12H2,1-2H3
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n/an/a 6.91E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2WS8RXV
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM61210
PNG
(3-Acetyl-3a,8b-dihydroxy-2-methyl-3a,8b-dihydro-in...)
Show SMILES CC(=O)C1=C(C)OC2(O)c3ccccc3C(=O)C12O
Show InChI InChI=1S/C14H12O5/c1-7(15)11-8(2)19-14(18)10-6-4-3-5-9(10)12(16)13(11,14)17/h3-6,17-18H,1-2H3
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n/an/a 7.52E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2WS8RXV
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM42216
PNG
(3-(4-fluoroanilino)-2H-isoquinolin-1-one | 3-(4-fl...)
Show SMILES Fc1ccc(Nc2cc3ccccc3c(=O)[nH]2)cc1
Show InChI InChI=1S/C15H11FN2O/c16-11-5-7-12(8-6-11)17-14-9-10-3-1-2-4-13(10)15(19)18-14/h1-9H,(H2,17,18,19)
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n/an/a 7.66E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2WS8RXV
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM41832
PNG
(Acetic acid N'-[3-oxo-3H-benzo[b]thiophen-(2Z)...)
Show SMILES CC(=O)N(N=C1Sc2ccccc2C1=O)c1ccccc1C
Show InChI InChI=1S/C17H14N2O2S/c1-11-7-3-5-9-14(11)19(12(2)20)18-17-16(21)13-8-4-6-10-15(13)22-17/h3-10H,1-2H3
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n/an/a 7.67E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2WS8RXV
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM70841
PNG
(MLS000575015 | SMR000156300 | cid_317843)
Show SMILES COc1cc2C[C@H]3N(C)CCc4cc5OCOc5c(-c2cc1OC)c34
Show InChI InChI=1S/C20H21NO4/c1-21-5-4-11-7-17-20(25-10-24-17)19-13-9-16(23-3)15(22-2)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m1/s1
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n/an/a 7.83E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2WS8RXV
More data for this
Ligand-Target Pair
tyrosyl-DNA phosphodiesterase 2


(Homo sapiens)
BDBM52664
PNG
(4-[(3-methoxy-5-nitro-4-oxidanyl-phenyl)-(3-methyl...)
Show SMILES COc1cc(cc(c1O)[N+]([O-])=O)C(c1c(C)[nH][nH]c1=O)c1c(C)[nH][nH]c1=O
Show InChI InChI=1S/C16H17N5O6/c1-6-11(15(23)19-17-6)13(12-7(2)18-20-16(12)24)8-4-9(21(25)26)14(22)10(5-8)27-3/h4-5,13,22H,1-3H3,(H2,17,19,23)(H2,18,20,24)
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n/an/a 7.83E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2WS8RXV
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%