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Compile Data Set for Download or QSAR

Found 284 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 4598   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM15236
PNG
(3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chr...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
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n/an/a 1.75E+4n/an/an/an/an/a25



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2CZ35ND
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM45603
PNG
(4-[[(E)-3-(2-furanyl)prop-2-enylidene]amino]-3-pyr...)
Show SMILES S=c1[nH]nc(-c2ccncc2)n1N=CC=Cc1ccco1
Show InChI InChI=1S/C14H11N5OS/c21-14-18-17-13(11-5-8-15-9-6-11)19(14)16-7-1-3-12-4-2-10-20-12/h1-10H,(H,18,21)
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n/an/a 2.67E+4n/an/an/an/an/a25



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2CZ35ND
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM61876
PNG
(3-[(2-nitrophenyl)sulfanylmethyl]-4-prop-2-enyl-1H...)
Show SMILES [O-][N+](=O)c1ccccc1SCc1n[nH]c(=S)n1CC=C
Show InChI InChI=1S/C12H12N4O2S2/c1-2-7-15-11(13-14-12(15)19)8-20-10-6-4-3-5-9(10)16(17)18/h2-6H,1,7-8H2,(H,14,19)
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n/an/a 3.89E+4n/an/an/an/an/a25



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2CZ35ND
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM48851
PNG
(2-[6-(2-fluorobenzyl)-4-keto-5,7-dimethyl-pyrrolo[...)
Show SMILES Cc1n(Cc2ccccc2F)c(C)c2c1cnn(CC(=O)Nc1c(F)c(F)cc(F)c1F)c2=O
Show InChI InChI=1S/C23H17F5N4O2/c1-11-14-8-29-32(10-18(33)30-22-20(27)16(25)7-17(26)21(22)28)23(34)19(14)12(2)31(11)9-13-5-3-4-6-15(13)24/h3-8H,9-10H2,1-2H3,(H,30,33)
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n/an/a 4.93E+4n/an/an/an/an/a25



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2CZ35ND
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM80096
PNG
(MLS000033673 | N,N-Diethyl-2-(3-thiophen-2-yl-isot...)
Show SMILES CCN(CC)C(=O)CSc1ncnc2c(nsc12)-c1cccs1
Show InChI InChI=1S/C15H16N4OS3/c1-3-19(4-2)11(20)8-22-15-14-13(16-9-17-15)12(18-23-14)10-6-5-7-21-10/h5-7,9H,3-4,8H2,1-2H3
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n/an/a 6.12E+4n/an/an/an/an/a25



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2CZ35ND
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM48549
PNG
(3-(4-methoxyphenyl)-6-oxidanylidene-8-thiophen-2-y...)
Show SMILES COc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1cccs1
Show InChI InChI=1S/C19H17N3O2S2/c1-24-14-6-4-13(5-7-14)21-11-22-18(23)9-15(17-3-2-8-25-17)16(10-20)19(22)26-12-21/h2-8,15H,9,11-12H2,1H3
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n/an/a 7.41E+4n/an/an/an/an/a25



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2CZ35ND
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM59578
PNG
(5-Cyclohexyl-2,4-dihydro-[1,2,4]triazole-3-thione ...)
Show SMILES S=c1[nH]nc([nH]1)C1CCCCC1
Show InChI InChI=1S/C8H13N3S/c12-8-9-7(10-11-8)6-4-2-1-3-5-6/h6H,1-5H2,(H2,9,10,11,12)
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n/an/a>1.00E+5n/an/an/an/an/a25



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2CZ35ND
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM34221
PNG
(5,7-dimethyl-2H-[1,2,4]triazolo[4,3-a]pyrimidine-3...)
Show SMILES Cc1cc(C)n2c(n[nH]c2=S)n1
Show InChI InChI=1S/C7H8N4S/c1-4-3-5(2)11-6(8-4)9-10-7(11)12/h3H,1-2H3,(H,10,12)
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n/an/a>1.00E+5n/an/an/an/an/a25



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2CZ35ND
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM80098
PNG
(5-ethyl-4,6-dimethyl-2-sulfanylidene-1H-pyridine-3...)
Show SMILES CCc1c(C)[nH]c(=S)c(C#N)c1C
Show InChI InChI=1S/C10H12N2S/c1-4-8-6(2)9(5-11)10(13)12-7(8)3/h4H2,1-3H3,(H,12,13)
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n/an/a>1.00E+5n/an/an/an/an/a25



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2CZ35ND
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM62590
PNG
(4-amino-3-(3-bromophenyl)-1H-1,2,4-triazole-5-thio...)
Show SMILES Nn1c(n[nH]c1=S)-c1cccc(Br)c1
Show InChI InChI=1S/C8H7BrN4S/c9-6-3-1-2-5(4-6)7-11-12-8(14)13(7)10/h1-4H,10H2,(H,12,14)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2CZ35ND
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM80099
PNG
(4-cyclohexyl-3-(2-furanyl)-1H-1,2,4-triazole-5-thi...)
Show SMILES S=c1[nH]nc(-c2ccco2)n1C1CCCCC1
Show InChI InChI=1S/C12H15N3OS/c17-12-14-13-11(10-7-4-8-16-10)15(12)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,14,17)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2CZ35ND
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM51945
PNG
(3-(2-furanyl)-4-(phenylmethyl)-1H-1,2,4-triazole-5...)
Show SMILES S=c1[nH]nc(-c2ccco2)n1Cc1ccccc1
Show InChI InChI=1S/C13H11N3OS/c18-13-15-14-12(11-7-4-8-17-11)16(13)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,15,18)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2CZ35ND
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM47052
PNG
(3-(2-methoxyphenyl)-4-phenyl-1H-1,2,4-triazole-5-t...)
Show SMILES COc1ccccc1-c1n[nH]c(=S)n1-c1ccccc1
Show InChI InChI=1S/C15H13N3OS/c1-19-13-10-6-5-9-12(13)14-16-17-15(20)18(14)11-7-3-2-4-8-11/h2-10H,1H3,(H,17,20)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2CZ35ND
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM80103
PNG
(6-keto-3-phenyl-8-(2-thienyl)-2,4,7,8-tetrahydropy...)
Show SMILES O=C1CC(c2cccs2)C(C#N)=C2SCN(CN12)c1ccccc1
Show InChI InChI=1S/C18H15N3OS2/c19-10-15-14(16-7-4-8-23-16)9-17(22)21-11-20(12-24-18(15)21)13-5-2-1-3-6-13/h1-8,14H,9,11-12H2
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2CZ35ND
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM29632
PNG
(2-[2-(3-keto-1,2-benzothiazol-2-yl)thiazol-4-yl]ac...)
Show SMILES CCOC(=O)Cc1csc(n1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C14H12N2O3S2/c1-2-19-12(17)7-9-8-20-14(15-9)16-13(18)10-5-3-4-6-11(10)21-16/h3-6,8H,2,7H2,1H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2CZ35ND
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM38589
PNG
(5-(4-methylphenyl)-2H-[1,3]thiazolo[2,3-c][1,2,4]t...)
Show SMILES Cc1ccc(cc1)-c1csc2n[nH]c(=S)n12
Show InChI InChI=1S/C11H9N3S2/c1-7-2-4-8(5-3-7)9-6-16-11-13-12-10(15)14(9)11/h2-6H,1H3,(H,12,15)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2CZ35ND
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM34346
PNG
(2-(4-methyl-2-pyrimidinyl)-1,2-benzothiazol-3-one ...)
Show SMILES Cc1ccnc(n1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C12H9N3OS/c1-8-6-7-13-12(14-8)15-11(16)9-4-2-3-5-10(9)17-15/h2-7H,1H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2CZ35ND
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM34347
PNG
(MLS000056753 | SMR000066372 | [4-amino-3-(3-methyl...)
Show SMILES CN1CCN(CC1)C(=O)c1sc(=S)n(c1N)-c1cccc(C)c1
Show InChI InChI=1S/C16H20N4OS2/c1-11-4-3-5-12(10-11)20-14(17)13(23-16(20)22)15(21)19-8-6-18(2)7-9-19/h3-5,10H,6-9,17H2,1-2H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2CZ35ND
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM42928
PNG
(5-chloranyl-1,3-dihydrobenzimidazole-2-thione | 5-...)
Show SMILES Clc1ccc2[nH]c(=S)[nH]c2c1
Show InChI InChI=1S/C7H5ClN2S/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,(H2,9,10,11)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2CZ35ND
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM33051
PNG
((4-chlorodithiazol-5-ylidene)-(3,4,5-trimethoxyphe...)
Show SMILES COc1cc(cc(OC)c1OC)\N=c1\ssnc1Cl
Show InChI InChI=1S/C11H11ClN2O3S2/c1-15-7-4-6(5-8(16-2)9(7)17-3)13-11-10(12)14-19-18-11/h4-5H,1-3H3/b13-11+
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2CZ35ND
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM80106
PNG
(3-methoxy-N-[[4-(3-methylphenyl)-5-sulfanylidene-1...)
Show SMILES COc1cccc(c1)C(=O)NCc1n[nH]c(=S)n1-c1cccc(C)c1
Show InChI InChI=1S/C18H18N4O2S/c1-12-5-3-7-14(9-12)22-16(20-21-18(22)25)11-19-17(23)13-6-4-8-15(10-13)24-2/h3-10H,11H2,1-2H3,(H,19,23)(H,21,25)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2CZ35ND
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM80107
PNG
(3-cyano-6-methyl-2-sulfanylidene-1H-pyridine-4-car...)
Show SMILES CCOC(=O)c1cc(C)[nH]c(=S)c1C#N
Show InChI InChI=1S/C10H10N2O2S/c1-3-14-10(13)7-4-6(2)12-9(15)8(7)5-11/h4H,3H2,1-2H3,(H,12,15)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2CZ35ND
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM38608
PNG
(6-(4-methylphenyl)-2H-[1,3]thiazolo[2,3-c][1,2,4]t...)
Show SMILES Cc1ccc(cc1)-c1cn2c(n[nH]c2=S)s1
Show InChI InChI=1S/C11H9N3S2/c1-7-2-4-8(5-3-7)9-6-14-10(15)12-13-11(14)16-9/h2-6H,1H3,(H,12,15)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2CZ35ND
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM38613
PNG
(6-(methoxymethyl)-4-methyl-2-sulfanylidene-1H-pyri...)
Show SMILES COCc1cc(C)c(C#N)c(=S)[nH]1
Show InChI InChI=1S/C9H10N2OS/c1-6-3-7(5-12-2)11-9(13)8(6)4-10/h3H,5H2,1-2H3,(H,11,13)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2CZ35ND
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM38617
PNG
(MLS000092916 | N-[2-(diethylamino)ethyl]-5-(4-keto...)
Show SMILES CCN(CC)CCNC(=O)CCCCn1c(=S)[nH]c2c3cc(OC)ccc3[nH]c2c1=O
Show InChI InChI=1S/C22H31N5O3S/c1-4-26(5-2)13-11-23-18(28)8-6-7-12-27-21(29)20-19(25-22(27)31)16-14-15(30-3)9-10-17(16)24-20/h9-10,14,24H,4-8,11-13H2,1-3H3,(H,23,28)(H,25,31)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2CZ35ND
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM34408
PNG
(4-amino-3-(4-methylphenyl)-5-[(4-methyl-1-piperazi...)
Show SMILES CN1CCN(CC1)C(=O)c1sc(=S)n(c1N)-c1ccc(C)cc1
Show InChI InChI=1S/C16H20N4OS2/c1-11-3-5-12(6-4-11)20-14(17)13(23-16(20)22)15(21)19-9-7-18(2)8-10-19/h3-6H,7-10,17H2,1-2H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2CZ35ND
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM34419
PNG
(2,6-di-tert-butyl-4-{[4-(2-hydroxyethyl)-1-piperaz...)
Show SMILES CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C(=S)N1CCN(CCO)CC1
Show InChI InChI=1S/C21H34N2O2S/c1-20(2,3)16-13-15(14-17(18(16)25)21(4,5)6)19(26)23-9-7-22(8-10-23)11-12-24/h13-14,24-25H,7-12H2,1-6H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2CZ35ND
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM80111
PNG
(3-(2-fluorophenyl)-4-(2-methylpropyl)-1H-1,2,4-tri...)
Show SMILES CC(C)Cn1c(n[nH]c1=S)-c1ccccc1F
Show InChI InChI=1S/C12H14FN3S/c1-8(2)7-16-11(14-15-12(16)17)9-5-3-4-6-10(9)13/h3-6,8H,7H2,1-2H3,(H,15,17)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2CZ35ND
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM34452
PNG
((4-amino-3-phenyl-2-sulfanylidene-1,3-thiazol-5-yl...)
Show SMILES CN1CCN(CC1)C(=O)c1sc(=S)n(c1N)-c1ccccc1
Show InChI InChI=1S/C15H18N4OS2/c1-17-7-9-18(10-8-17)14(20)12-13(16)19(15(21)22-12)11-5-3-2-4-6-11/h2-6H,7-10,16H2,1H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2CZ35ND
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM80112
PNG
(3-(3-bromophenyl)-4-ethyl-1H-1,2,4-triazole-5-thio...)
Show SMILES CCn1c(n[nH]c1=S)-c1cccc(Br)c1
Show InChI InChI=1S/C10H10BrN3S/c1-2-14-9(12-13-10(14)15)7-4-3-5-8(11)6-7/h3-6H,2H2,1H3,(H,13,15)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2CZ35ND
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM80113
PNG
(3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-ethyl-1H-...)
Show SMILES CCn1c(CSc2nc3ccccc3[nH]2)n[nH]c1=S
Show InChI InChI=1S/C12H13N5S2/c1-2-17-10(15-16-12(17)18)7-19-11-13-8-5-3-4-6-9(8)14-11/h3-6H,2,7H2,1H3,(H,13,14)(H,16,18)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2CZ35ND
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM80115
PNG
(2-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl...)
Show SMILES O=c1[nH]c(SCc2n[nH]c(=S)n2-c2ccccc2)nc2ccccc12
Show InChI InChI=1S/C17H13N5OS2/c23-15-12-8-4-5-9-13(12)18-16(19-15)25-10-14-20-21-17(24)22(14)11-6-2-1-3-7-11/h1-9H,10H2,(H,21,24)(H,18,19,23)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2CZ35ND
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM62839
PNG
(5,5-dimethyl-2,6-dihydro-[1,2,4]triazol[3,4-a]isoq...)
Show SMILES CC1(C)Cc2ccccc2-c2n[nH]c(=S)n12
Show InChI InChI=1S/C12H13N3S/c1-12(2)7-8-5-3-4-6-9(8)10-13-14-11(16)15(10)12/h3-6H,7H2,1-2H3,(H,14,16)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2CZ35ND
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM37226
PNG
(7-(hydroxymethyl)-2-(2-phenylphenyl)-4,7a-dihydro-...)
Show SMILES OCC12OC(C=C1)c1c(O)n(c(O)c21)-c1ccccc1-c1ccccc1
Show InChI InChI=1S/C21H17NO4/c23-12-21-11-10-16(26-21)17-18(21)20(25)22(19(17)24)15-9-5-4-8-14(15)13-6-2-1-3-7-13/h1-11,16,23-25H,12H2
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2CZ35ND
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM80117
PNG
(3-(4-tert-butylphenyl)-4-methyl-1H-1,2,4-triazole-...)
Show SMILES Cn1c(n[nH]c1=S)-c1ccc(cc1)C(C)(C)C
Show InChI InChI=1S/C13H17N3S/c1-13(2,3)10-7-5-9(6-8-10)11-14-15-12(17)16(11)4/h5-8H,1-4H3,(H,15,17)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2CZ35ND
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM37236
PNG
(3-(3-chlorophenyl)-4-ethyl-1H-1,2,4-triazole-5-thi...)
Show SMILES CCn1c(n[nH]c1=S)-c1cccc(Cl)c1
Show InChI InChI=1S/C10H10ClN3S/c1-2-14-9(12-13-10(14)15)7-4-3-5-8(11)6-7/h3-6H,2H2,1H3,(H,13,15)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2CZ35ND
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM46661
PNG
(5-(4-methoxyphenyl)-1,2-dihydro-1,2,4-triazole-3-t...)
Show SMILES COc1ccc(cc1)-c1n[nH]c(=S)[nH]1
Show InChI InChI=1S/C9H9N3OS/c1-13-7-4-2-6(3-5-7)8-10-9(14)12-11-8/h2-5H,1H3,(H2,10,11,12,14)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2CZ35ND
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM38499
PNG
(4-(1-cyclohex-2-enyl)-3-phenyl-1H-1,2,4-triazole-5...)
Show SMILES S=c1[nH]nc(-c2ccccc2)n1C1CCCC=C1
Show InChI InChI=1S/C14H15N3S/c18-14-16-15-13(11-7-3-1-4-8-11)17(14)12-9-5-2-6-10-12/h1,3-5,7-9,12H,2,6,10H2,(H,16,18)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2CZ35ND
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM80118
PNG
(3-(3-chlorophenyl)-4-prop-2-enyl-1H-1,2,4-triazole...)
Show SMILES Clc1cccc(c1)-c1n[nH]c(=S)n1CC=C
Show InChI InChI=1S/C11H10ClN3S/c1-2-6-15-10(13-14-11(15)16)8-4-3-5-9(12)7-8/h2-5,7H,1,6H2,(H,14,16)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2CZ35ND
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM34548
PNG
(4-(3-pyridinyl)-2-sulfanylidene-5,6,7,8-tetrahydro...)
Show SMILES S=c1[nH]c2CCCCc2c(-c2cccnc2)c1C#N
Show InChI InChI=1S/C15H13N3S/c16-8-12-14(10-4-3-7-17-9-10)11-5-1-2-6-13(11)18-15(12)19/h3-4,7,9H,1-2,5-6H2,(H,18,19)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2CZ35ND
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM80119
PNG
(4-[(4-bromobenzylidene)amino]-1H-1,2,4-triazole-5-...)
Show SMILES Brc1ccc(C=Nn2cn[nH]c2=S)cc1
Show InChI InChI=1S/C9H7BrN4S/c10-8-3-1-7(2-4-8)5-12-14-6-11-13-9(14)15/h1-6H,(H,13,15)/b12-5+
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2CZ35ND
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM80120
PNG
(3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methyl-1...)
Show SMILES Cn1c(CSc2nc3ccccc3s2)n[nH]c1=S
Show InChI InChI=1S/C11H10N4S3/c1-15-9(13-14-10(15)16)6-17-11-12-7-4-2-3-5-8(7)18-11/h2-5H,6H2,1H3,(H,14,16)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2CZ35ND
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM80121
PNG
(2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinoline-3-...)
Show SMILES S=c1[nH]c2CCCCc2cc1C#N
Show InChI InChI=1S/C10H10N2S/c11-6-8-5-7-3-1-2-4-9(7)12-10(8)13/h5H,1-4H2,(H,12,13)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2CZ35ND
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM34657
PNG
(MLS000121202 | SMR000118624 | [(3-methyl-4-oxidany...)
Show SMILES CC1=CC(C=CC1=O)=NOS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C13H11NO4S/c1-10-9-11(7-8-13(10)15)14-18-19(16,17)12-5-3-2-4-6-12/h2-9H,1H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2CZ35ND
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM80122
PNG
(3-(4-chlorophenyl)-4-ethyl-1H-1,2,4-triazole-5-thi...)
Show SMILES CCn1c(n[nH]c1=S)-c1ccc(Cl)cc1
Show InChI InChI=1S/C10H10ClN3S/c1-2-14-9(12-13-10(14)15)7-3-5-8(11)6-4-7/h3-6H,2H2,1H3,(H,13,15)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2CZ35ND
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM46605
PNG
(5-(2-bromophenyl)-1,2-dihydro-1,2,4-triazole-3-thi...)
Show SMILES Brc1ccccc1-c1n[nH]c(=S)[nH]1
Show InChI InChI=1S/C8H6BrN3S/c9-6-4-2-1-3-5(6)7-10-8(13)12-11-7/h1-4H,(H2,10,11,12,13)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2CZ35ND
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM67584
PNG
(2-methoxy-4-[3-(2-methoxyphenyl)-5,6-dihydro-[1,2,...)
Show SMILES COc1cc(ccc1O)C1Nn2c(S1)nnc2-c1ccccc1OC
Show InChI InChI=1S/C17H16N4O3S/c1-23-13-6-4-3-5-11(13)15-18-19-17-21(15)20-16(25-17)10-7-8-12(22)14(9-10)24-2/h3-9,16,20,22H,1-2H3
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2CZ35ND
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM59801
PNG
(4-(5-sulfanyl-4H-1,2,4-triazol-3-yl)phenol | 4-(5-...)
Show SMILES Oc1ccc(cc1)-c1n[nH]c(=S)[nH]1
Show InChI InChI=1S/C8H7N3OS/c12-6-3-1-5(2-4-6)7-9-8(13)11-10-7/h1-4,12H,(H2,9,10,11,13)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2CZ35ND
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM80124
PNG
(2-(5-Thioxo-4,5-dihydro-[1,3,4]thiadiazol-2-ylsulf...)
Show SMILES COC(=O)C(C)Sc1nnc(S)s1
Show InChI InChI=1S/C6H8N2O2S3/c1-3(4(9)10-2)12-6-8-7-5(11)13-6/h3H,1-2H3,(H,7,11)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2CZ35ND
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens (Human))
BDBM48646
PNG
(4-Ethyl-1-mercapto-7,8-dihydro-4H,6H-9-thia-2,3,4,...)
Show SMILES CCn1c2n[nH]c(=S)n2c2sc3CCCc3c2c1=O
Show InChI InChI=1S/C12H12N4OS2/c1-2-15-9(17)8-6-4-3-5-7(6)19-10(8)16-11(15)13-14-12(16)18/h2-5H2,1H3,(H,14,18)
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Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2CZ35ND
More data for this
Ligand-Target Pair
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