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PubChem AID 504722

Compile Data Set for Download or QSAR

Found 284 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
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens)
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/an/a



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)
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/an/a



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)
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/an/a



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)
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/an/a



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)
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/an/a



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)
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/an/a



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)
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)
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)
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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n/an/a>1.00E+5n/an/an/an/an/an/a



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)
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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n/an/a>1.00E+5n/an/an/an/an/an/a



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)
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)
BDBM80125
PNG
(1-methyl-3-sulfanylidene-5,6,7,8-tetrahydro-2H-iso...)
Show SMILES Cc1[nH]c(=S)c(C#N)c2CCCCc12
Show InChI InChI=1S/C11H12N2S/c1-7-8-4-2-3-5-9(8)10(6-12)11(14)13-7/h2-5H2,1H3,(H,13,14)
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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)
BDBM80155
PNG
(4-butyl-3-(4-nitrophenyl)-1H-1,2,4-triazole-5-thio...)
Show SMILES CCCCn1c(n[nH]c1=S)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C12H14N4O2S/c1-2-3-8-15-11(13-14-12(15)19)9-4-6-10(7-5-9)16(17)18/h4-7H,2-3,8H2,1H3,(H,14,19)
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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)
BDBM34737
PNG
(2-(4-methylphenyl)-1,2-benzisothiazol-3(2H)-one | ...)
Show SMILES Cc1ccc(cc1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C14H11NOS/c1-10-6-8-11(9-7-10)15-14(16)12-4-2-3-5-13(12)17-15/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)
BDBM80161
PNG
(3-(5-methyl-1H-pyrazol-3-yl)-4-[[(E)-3-phenylprop-...)
Show SMILES Cc1cc(n[nH]1)-c1n[nH]c(=S)n1N=CC=Cc1ccccc1
Show InChI InChI=1S/C15H12N6S/c1-11-10-13(18-17-11)14-19-20-15(22)21(14)16-9-5-8-12-6-3-2-4-7-12/h2-10H,1H3/b8-5?,14-13+,16-9?
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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)
BDBM80177
PNG
(4-[(E)-3-Phenyl-prop-2-en-(E)-ylideneamino]-5-pyri...)
Show SMILES S=c1[nH]nc(-c2cccnc2)n1N=CC=Cc1ccccc1
Show InChI InChI=1S/C16H13N5S/c22-16-20-19-15(14-9-5-10-17-12-14)21(16)18-11-4-8-13-6-2-1-3-7-13/h1-12H,(H,20,22)/b8-4+,18-11+
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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)
BDBM34849
PNG
(6-fluoranyl-2-(2-methylphenyl)-1,2-benzothiazol-3-...)
Show SMILES Cc1ccccc1-n1sc2cc(F)ccc2c1=O
Show InChI InChI=1S/C14H10FNOS/c1-9-4-2-3-5-12(9)16-14(17)11-7-6-10(15)8-13(11)18-16/h2-8H,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)
BDBM80213
PNG
(4-[(5-methyl-2-furanyl)methylideneamino]-3-pyridin...)
Show SMILES Cc1ccc(C=Nn2c(n[nH]c2=S)-c2ccncc2)o1
Show InChI InChI=1S/C13H11N5OS/c1-9-2-3-11(19-9)8-15-18-12(16-17-13(18)20)10-4-6-14-7-5-10/h2-8H,1H3,(H,17,20)/b15-8+
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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)
BDBM80215
PNG
(4-[(2,6-dichlorobenzylidene)amino]-3-(2-furyl)-1H-...)
Show SMILES Clc1cccc(Cl)c1C=Nn1c(n[nH]c1=S)-c1ccco1
Show InChI InChI=1S/C13H8Cl2N4OS/c14-9-3-1-4-10(15)8(9)7-16-19-12(17-18-13(19)21)11-5-2-6-20-11/h1-7H,(H,18,21)/b16-7+
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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)
BDBM80221
PNG
(4-ethyl-3-[(5-phenyl-1,2,3,4-tetrazol-2-yl)methyl]...)
Show SMILES CCn1c(Cn2nnc(n2)-c2ccccc2)n[nH]c1=S
Show InChI InChI=1S/C12H13N7S/c1-2-18-10(13-15-12(18)20)8-19-16-11(14-17-19)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,15,20)
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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)
BDBM46606
PNG
(5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,2-dihydro-1...)
Show SMILES S=c1[nH]nc([nH]1)C1COc2ccccc2O1
Show InChI InChI=1S/C10H9N3O2S/c16-10-11-9(12-13-10)8-5-14-6-3-1-2-4-7(6)15-8/h1-4,8H,5H2,(H2,11,12,13,16)
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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)
BDBM47782
PNG
(4-(2-methoxyphenyl)-3-phenyl-1H-1,2,4-triazole-5-t...)
Show SMILES COc1ccccc1-n1c(n[nH]c1=S)-c1ccccc1
Show InChI InChI=1S/C15H13N3OS/c1-19-13-10-6-5-9-12(13)18-14(16-17-15(18)20)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)
BDBM55776
PNG
(2-(3-keto-4,6-dimethyl-isothiazolo[5,4-b]pyridin-2...)
Show SMILES CCOc1ccc(NC(=O)Cn2sc3nc(C)cc(C)c3c2=O)cc1
Show InChI InChI=1S/C18H19N3O3S/c1-4-24-14-7-5-13(6-8-14)20-15(22)10-21-18(23)16-11(2)9-12(3)19-17(16)25-21/h5-9H,4,10H2,1-3H3,(H,20,22)
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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)
BDBM34927
PNG
(5-(4-methoxybenzyl)-1,3,4-thiadiazole-2-thiol | 5-...)
Show SMILES COc1ccc(Cc2nnc(S)s2)cc1
Show InChI InChI=1S/C10H10N2OS2/c1-13-8-4-2-7(3-5-8)6-9-11-12-10(14)15-9/h2-5H,6H2,1H3,(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)
BDBM80230
PNG
(1-keto-4-(4-methoxyphenyl)-2-phenyl-1,4-thiazinane...)
Show SMILES COc1ccc(cc1)N1C(=O)CS(=O)C(C1=O)c1ccccc1
Show InChI InChI=1S/C17H15NO4S/c1-22-14-9-7-13(8-10-14)18-15(19)11-23(21)16(17(18)20)12-5-3-2-4-6-12/h2-10,16H,11H2,1H3
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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)
BDBM47803
PNG
(MLS000689393 | N-(4-chlorophenyl)-2-(3-keto-4,6-di...)
Show SMILES Cc1cc(C)c2c(n1)sn(CC(=O)Nc1ccc(Cl)cc1)c2=O
Show InChI InChI=1S/C16H14ClN3O2S/c1-9-7-10(2)18-15-14(9)16(22)20(23-15)8-13(21)19-12-5-3-11(17)4-6-12/h3-7H,8H2,1-2H3,(H,19,21)
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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)
BDBM34949
PNG
(4-amino-3-[(4-methoxyphenoxy)methyl]-1H-1,2,4-tria...)
Show SMILES COc1ccc(OCc2n[nH]c(=S)n2N)cc1
Show InChI InChI=1S/C10H12N4O2S/c1-15-7-2-4-8(5-3-7)16-6-9-12-13-10(17)14(9)11/h2-5H,6,11H2,1H3,(H,13,17)
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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)
BDBM80246
PNG
(4-phenyl-1-(3-pyridylmethyleneamino)-4-imidazoline...)
Show SMILES S=c1[nH]c(cn1N=Cc1cccnc1)-c1ccccc1
Show InChI InChI=1S/C15H12N4S/c20-15-18-14(13-6-2-1-3-7-13)11-19(15)17-10-12-5-4-8-16-9-12/h1-11H,(H,18,20)/b17-10+
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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)
BDBM79500
PNG
((8R)-3-[3-(2-methylprop-2-enoylamino)phenyl]-7-(ph...)
Show SMILES CC(=C)C(=O)Nc1cccc(c1)C1=NOC2(C[C@@H](N(C2)C(=O)c2ccccc2)C(N)=O)C1
Show InChI InChI=1S/C24H24N4O4/c1-15(2)22(30)26-18-10-6-9-17(11-18)19-12-24(32-27-19)13-20(21(25)29)28(14-24)23(31)16-7-4-3-5-8-16/h3-11,20H,1,12-14H2,2H3,(H2,25,29)(H,26,30)/t20-,24?/m1/s1
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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)
BDBM80309
PNG
(3-(3-fluorophenyl)-4-phenyl-1H-1,2,4-triazole-5-th...)
Show SMILES Fc1cccc(c1)-c1n[nH]c(=S)n1-c1ccccc1
Show InChI InChI=1S/C14H10FN3S/c15-11-6-4-5-10(9-11)13-16-17-14(19)18(13)12-7-2-1-3-8-12/h1-9H,(H,17,19)
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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)
BDBM80318
PNG
(2,3-diphenyl-1H-1,2,4-triazole-5-thione | MLS00118...)
Show SMILES S=c1nc(-c2ccccc2)n([nH]1)-c1ccccc1
Show InChI InChI=1S/C14H11N3S/c18-14-15-13(11-7-3-1-4-8-11)17(16-14)12-9-5-2-6-10-12/h1-10H,(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)
BDBM46036
PNG
(2-[[3-(3-keto-1,2-benzothiazol-2-yl)phenyl]sulfony...)
Show SMILES OC(=O)c1ccccc1NS(=O)(=O)c1cccc(c1)-n1sc2ccccc2c1=O
Show InChI InChI=1S/C20H14N2O5S2/c23-19-16-9-2-4-11-18(16)28-22(19)13-6-5-7-14(12-13)29(26,27)21-17-10-3-1-8-15(17)20(24)25/h1-12,21H,(H,24,25)
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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)
BDBM80347
PNG
(1-[3-[(2-fluorophenyl)sulfamoyl]phenyl]-3-(2-morph...)
Show SMILES Fc1ccccc1NS(=O)(=O)c1cccc(NC(=S)NCCN2CCOCC2)c1
Show InChI InChI=1S/C19H23FN4O3S2/c20-17-6-1-2-7-18(17)23-29(25,26)16-5-3-4-15(14-16)22-19(28)21-8-9-24-10-12-27-13-11-24/h1-7,14,23H,8-13H2,(H2,21,22,28)
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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)
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)
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)
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)
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)
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)
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)
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)
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
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens)
BDBM47719
PNG
((4-chlorodithiazol-5-ylidene)-(4-chloro-2-methyl-p...)
Show SMILES Cc1cc(Cl)ccc1\N=c1\ssnc1Cl
Show InChI InChI=1S/C9H6Cl2N2S2/c1-5-4-6(10)2-3-7(5)12-9-8(11)13-15-14-9/h2-4H,1H3/b12-9+
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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)
BDBM80130
PNG
(3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-prop-2-e...)
Show SMILES C=CCn1c(CSc2nc3ccccc3s2)n[nH]c1=S
Show InChI InChI=1S/C13H12N4S3/c1-2-7-17-11(15-16-12(17)18)8-19-13-14-9-5-3-4-6-10(9)20-13/h2-6H,1,7-8H2,(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)
BDBM46596
PNG
(5-(2,5-dimethyl-1-pyrrolyl)-1,2-dihydro-1,2,4-tria...)
Show SMILES Cc1ccc(C)n1-c1n[nH]c(=S)[nH]1
Show InChI InChI=1S/C8H10N4S/c1-5-3-4-6(2)12(5)7-9-8(13)11-10-7/h3-4H,1-2H3,(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)
BDBM33085
PNG
(4-[(4-chloranyl-1,2,3-dithiazol-5-ylidene)amino]be...)
Show SMILES Clc1nss\c1=N\c1ccc(cc1)C#N
Show InChI InChI=1S/C9H4ClN3S2/c10-8-9(14-15-13-8)12-7-3-1-6(5-11)2-4-7/h1-4H/b12-9+
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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)
BDBM77703
PNG
(3-(3-chloranyl-1-benzothiophen-2-yl)-4-methyl-1H-1...)
Show SMILES Cn1c(n[nH]c1=S)-c1sc2ccccc2c1Cl
Show InChI InChI=1S/C11H8ClN3S2/c1-15-10(13-14-11(15)16)9-8(12)6-4-2-3-5-7(6)17-9/h2-5H,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)
BDBM80145
PNG
(4-[(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-3...)
Show SMILES [O-][N+](=O)c1cc2OCOc2cc1[CH+][N-]n1c(n[nH]c1=S)-c1ccccc1
Show InChI InChI=1S/C16H11N5O4S/c22-21(23)12-7-14-13(24-9-25-14)6-11(12)8-17-20-15(18-19-16(20)26)10-4-2-1-3-5-10/h1-8H,9H2,(H,19,26)
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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)
BDBM78637
PNG
(1,5-dihydropyrimid[5,4-b]indole-4-thione | 1,5-dih...)
Show SMILES S=c1[nH]cnc2c3ccccc3[nH]c12
Show InChI InChI=1S/C10H5N3S/c14-10-9-8(11-5-12-10)6-3-1-2-4-7(6)13-9/h1-5H
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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)
BDBM80152
PNG
(3-(3-pyridinyl)-4-(thiophen-2-ylmethylideneamino)-...)
Show SMILES S=c1[nH]nc(-c2cccnc2)n1N=Cc1cccs1
Show InChI InChI=1S/C12H9N5S2/c18-12-16-15-11(9-3-1-5-13-7-9)17(12)14-8-10-4-2-6-19-10/h1-8H,(H,16,18)/b14-8+
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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)
BDBM80163
PNG
(3-(5-methyl-1H-pyrazol-3-yl)-4-[(3-nitrobenzyliden...)
Show SMILES Cc1cc(n[nH]1)-c1n[nH]c(=S)n1[N-][CH+]c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C13H9N7O2S/c1-8-5-11(16-15-8)12-17-18-13(23)19(12)14-7-9-3-2-4-10(6-9)20(21)22/h2-7H,1H3/b12-11+
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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
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* indicates data uncertainty>20%