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PubChem AID 624089

Compile data set for download or QSAR
Found 43 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)
BDBM41028
PNG
(2-[(5Z)-5-[(E)-3-(2-furanyl)prop-2-enylidene]-4-ox...)
Show SMILES CC(N1C(=S)S\C(=C/C=C/c2ccco2)C1=O)C(O)=O
Show InChI InChI=1S/C13H11NO4S2/c1-8(12(16)17)14-11(15)10(20-13(14)19)6-2-4-9-5-3-7-18-9/h2-8H,1H3,(H,16,17)/b4-2+,10-6-
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n/an/a 1.21E+3n/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 (2012)


BindingDB Entry DOI: 10.7270/Q2Q52N7M
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens)
BDBM31756
PNG
(6,7-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]...)
Show SMILES Cc1ccc2C3C=CCC3C(Nc2c1C)C(O)=O
Show InChI InChI=1S/C15H17NO2/c1-8-6-7-12-10-4-3-5-11(10)14(15(17)18)16-13(12)9(8)2/h3-4,6-7,10-11,14,16H,5H2,1-2H3,(H,17,18)
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n/an/a 1.70E+3n/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 (2012)


BindingDB Entry DOI: 10.7270/Q2Q52N7M
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens)
BDBM48826
PNG
(8-acetyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quin...)
Show SMILES CC(=O)c1ccc2NC(C3CC=CC3c2c1)C(O)=O
Show InChI InChI=1S/C15H15NO3/c1-8(17)9-5-6-13-12(7-9)10-3-2-4-11(10)14(16-13)15(18)19/h2-3,5-7,10-11,14,16H,4H2,1H3,(H,18,19)
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n/an/a 2.32E+3n/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 (2012)


BindingDB Entry DOI: 10.7270/Q2Q52N7M
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens)
BDBM91535
PNG
(2-pyrazolo[1,5-a]pyrimidinecarboxylic acid | MLS-0...)
Show SMILES OC(=O)c1cc2ncccn2n1
Show InChI InChI=1S/C7H5N3O2/c11-7(12)5-4-6-8-2-1-3-10(6)9-5/h1-4H,(H,11,12)
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n/an/a 2.60E+3n/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 (2012)


BindingDB Entry DOI: 10.7270/Q2Q52N7M
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens)
BDBM40590
PNG
(4-[(2,5-dimethyl-1-pyrrolyl)methyl]benzoic acid | ...)
Show SMILES Cc1ccc(C)n1Cc1ccc(cc1)C(O)=O
Show InChI InChI=1S/C14H15NO2/c1-10-3-4-11(2)15(10)9-12-5-7-13(8-6-12)14(16)17/h3-8H,9H2,1-2H3,(H,16,17)
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n/an/a 4.11E+3n/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 (2012)


BindingDB Entry DOI: 10.7270/Q2Q52N7M
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens)
BDBM80356
PNG
(MLS000036597 | N-[3-[5-[2-(furan-2-ylmethylamino)-...)
Show SMILES CCC(=O)Nc1cccc(c1)-c1nnc(SCC(=O)NCc2ccco2)n1C
Show InChI InChI=1S/C19H21N5O3S/c1-3-16(25)21-14-7-4-6-13(10-14)18-22-23-19(24(18)2)28-12-17(26)20-11-15-8-5-9-27-15/h4-10H,3,11-12H2,1-2H3,(H,20,26)(H,21,25)
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n/an/a 4.37E+3n/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 (2012)


BindingDB Entry DOI: 10.7270/Q2Q52N7M
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens)
BDBM50704
PNG
(5-[1-(3-Chloro-propyl)-2,3-dihydro-1H-indol-5-ylme...)
Show SMILES ClCCCN1CCc2cc(C=C3C(=O)NC(=S)NC3=O)ccc12
Show InChI InChI=1S/C16H16ClN3O2S/c17-5-1-6-20-7-4-11-8-10(2-3-13(11)20)9-12-14(21)18-16(23)19-15(12)22/h2-3,8-9H,1,4-7H2,(H2,18,19,21,22,23)
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n/an/a 6.63E+3n/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 (2012)


BindingDB Entry DOI: 10.7270/Q2Q52N7M
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens)
BDBM61352
PNG
(5-methyl-6-oxo-3-benzo[b][1,4]benzothiazepinecarbo...)
Show SMILES CCOC(=O)c1ccc2Sc3ccccc3C(=O)N(C)c2c1
Show InChI InChI=1S/C17H15NO3S/c1-3-21-17(20)11-8-9-15-13(10-11)18(2)16(19)12-6-4-5-7-14(12)22-15/h4-10H,3H2,1-2H3
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n/an/a 1.29E+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 (2012)


BindingDB Entry DOI: 10.7270/Q2Q52N7M
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens)
BDBM76188
PNG
(1-methyl-5-methylsulfonyl-3-nitro-1,2,4-triazole |...)
Show SMILES Cn1nc(nc1S(C)(=O)=O)[N+]([O-])=O
Show InChI InChI=1S/C4H6N4O4S/c1-7-4(13(2,11)12)5-3(6-7)8(9)10/h1-2H3
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n/an/a 1.31E+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 (2012)


BindingDB Entry DOI: 10.7270/Q2Q52N7M
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens)
BDBM80492
PNG
(7-(1-ethyl-5-methyl-4-pyrazolyl)-2-pyrazolo[1,5-a]...)
Show SMILES CCn1ncc(c1C)-c1ccnc2cc(nn12)C(O)=O
Show InChI InChI=1S/C13H13N5O2/c1-3-17-8(2)9(7-15-17)11-4-5-14-12-6-10(13(19)20)16-18(11)12/h4-7H,3H2,1-2H3,(H,19,20)
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n/an/a 1.64E+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 (2012)


BindingDB Entry DOI: 10.7270/Q2Q52N7M
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens)
BDBM49141
PNG
(6-bromo-N-piperonyl-pyrazolo[1,5-a]pyrimidine-2-ca...)
Show SMILES Brc1cnc2cc(nn2c1)C(=O)NCc1ccc2OCOc2c1
Show InChI InChI=1S/C15H11BrN4O3/c16-10-6-17-14-4-11(19-20(14)7-10)15(21)18-5-9-1-2-12-13(3-9)23-8-22-12/h1-4,6-7H,5,8H2,(H,18,21)
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n/an/a 2.11E+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 (2012)


BindingDB Entry DOI: 10.7270/Q2Q52N7M
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens)
BDBM80492
PNG
(7-(1-ethyl-5-methyl-4-pyrazolyl)-2-pyrazolo[1,5-a]...)
Show SMILES CCn1ncc(c1C)-c1ccnc2cc(nn12)C(O)=O
Show InChI InChI=1S/C13H13N5O2/c1-3-17-8(2)9(7-15-17)11-4-5-14-12-6-10(13(19)20)16-18(11)12/h4-7H,3H2,1-2H3,(H,19,20)
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n/an/a 2.47E+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 (2012)


BindingDB Entry DOI: 10.7270/Q2Q52N7M
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens)
BDBM80510
PNG
(2-(3-methyl-1-pyridin-1-iumyl)-N-[2-(4-morpholinyl...)
Show SMILES Cc1ccc[n+](CC(=O)Nc2cc(ccc2N2CCOCC2)C(F)(F)F)c1
Show InChI InChI=1S/C19H20F3N3O2/c1-14-3-2-6-24(12-14)13-18(26)23-16-11-15(19(20,21)22)4-5-17(16)25-7-9-27-10-8-25/h2-6,11-12H,7-10,13H2,1H3/p+1
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n/an/a 2.66E+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 (2012)


BindingDB Entry DOI: 10.7270/Q2Q52N7M
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens)
BDBM80562
PNG
(1-methyl-N-phenyl-3-pyridin-1-iumcarboxamide;chlor...)
Show SMILES C[n+]1cccc(c1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C13H12N2O/c1-15-9-5-6-11(10-15)13(16)14-12-7-3-2-4-8-12/h2-10H,1H3/p+1
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n/an/a 2.86E+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 (2012)


BindingDB Entry DOI: 10.7270/Q2Q52N7M
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens)
BDBM91526
PNG
(6-bromanyl-N-methyl-N-(phenylmethyl)pyrazolo[1,5-a...)
Show SMILES CN(Cc1ccccc1)C(=O)c1cc2ncc(Br)cn2n1
Show InChI InChI=1S/C15H13BrN4O/c1-19(9-11-5-3-2-4-6-11)15(21)13-7-14-17-8-12(16)10-20(14)18-13/h2-8,10H,9H2,1H3
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n/an/a 3.45E+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 (2012)


BindingDB Entry DOI: 10.7270/Q2Q52N7M
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens)
BDBM80360
PNG
((10Z)-10-[(2-hydroxyethylamino)methylene]-8,8-dime...)
Show SMILES CC1(C)Oc2ccc3ccc(=O)oc3c2C(=CNCCO)C1=O
Show InChI InChI=1S/C17H17NO5/c1-17(2)16(21)11(9-18-7-8-19)14-12(23-17)5-3-10-4-6-13(20)22-15(10)14/h3-6,9,18-19H,7-8H2,1-2H3
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n/an/a 5.04E+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 (2012)


BindingDB Entry DOI: 10.7270/Q2Q52N7M
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens)
BDBM91527
PNG
(3-chloranyl-N-methyl-N-(phenylmethyl)pyrazolo[1,5-...)
Show SMILES CN(Cc1ccccc1)C(=O)c1nn2cccnc2c1Cl
Show InChI InChI=1S/C15H13ClN4O/c1-19(10-11-6-3-2-4-7-11)15(21)13-12(16)14-17-8-5-9-20(14)18-13/h2-9H,10H2,1H3
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n/an/a 7.38E+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 (2012)


BindingDB Entry DOI: 10.7270/Q2Q52N7M
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens)
BDBM91528
PNG
(3-bromanyl-5,7-dimethyl-N-(phenylmethyl)pyrazolo[1...)
Show SMILES Cc1cc(C)n2nc(C(=O)NCc3ccccc3)c(Br)c2n1
Show InChI InChI=1S/C16H15BrN4O/c1-10-8-11(2)21-15(19-10)13(17)14(20-21)16(22)18-9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,18,22)
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n/an/a 7.68E+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 (2012)


BindingDB Entry DOI: 10.7270/Q2Q52N7M
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens)
BDBM80169
PNG
(3-(2-furanyl)-4-[(5-methyl-2-thiophenyl)methyliden...)
Show SMILES Cc1ccc(C=Nn2c(n[nH]c2=S)-c2ccco2)s1
Show InChI InChI=1S/C12H10N4OS2/c1-8-4-5-9(19-8)7-13-16-11(14-15-12(16)18)10-3-2-6-17-10/h2-7H,1H3,(H,15,18)/b13-7+
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n/an/a 8.55E+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 (2012)


BindingDB Entry DOI: 10.7270/Q2Q52N7M
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens)
BDBM91537
PNG
(7-(1,5-dimethyl-4-pyrazolyl)-2-pyrazolo[1,5-a]pyri...)
Show SMILES Cc1c(cnn1C)-c1ccnc2cc(nn12)C(O)=O
Show InChI InChI=1S/C12H11N5O2/c1-7-8(6-14-16(7)2)10-3-4-13-11-5-9(12(18)19)15-17(10)11/h3-6H,1-2H3,(H,18,19)
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n/an/a 8.89E+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 (2012)


BindingDB Entry DOI: 10.7270/Q2Q52N7M
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens)
BDBM59063
PNG
(4-butyl-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]q...)
Show SMILES CCCCn1c2n[nH]c(=S)n2c2ccccc2c1=O
Show InChI InChI=1S/C13H14N4OS/c1-2-3-8-16-11(18)9-6-4-5-7-10(9)17-12(16)14-15-13(17)19/h4-7H,2-3,8H2,1H3,(H,15,19)
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n/an/a>9.90E+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 (2012)


BindingDB Entry DOI: 10.7270/Q2Q52N7M
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens)
BDBM91534
PNG
(7-(2-thienyl)pyrazolo[1,5-a]pyrimidine-2-carboxyli...)
Show SMILES OC(=O)c1cc2nccc(-c3cccs3)n2n1
Show InChI InChI=1S/C11H7N3O2S/c15-11(16)7-6-10-12-4-3-8(14(10)13-7)9-2-1-5-17-9/h1-6H,(H,15,16)
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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 (2012)


BindingDB Entry DOI: 10.7270/Q2Q52N7M
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens)
BDBM91530
PNG
(3-(2-phenoxyethylthio)-5-(p-tolyl)thiazolo[2,3-c][...)
Show SMILES Cc1ccc(cc1)-c1csc2nnc(SCCOc3ccccc3)n12
Show InChI InChI=1S/C19H17N3OS2/c1-14-7-9-15(10-8-14)17-13-25-19-21-20-18(22(17)19)24-12-11-23-16-5-3-2-4-6-16/h2-10,13H,11-12H2,1H3
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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 (2012)


BindingDB Entry DOI: 10.7270/Q2Q52N7M
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens)
BDBM50260481
PNG
(5-Methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e]...)
Show SMILES Cc1nc2sc3CCCCc3c2c2n[nH]c(=S)n12
Show InChI InChI=1S/C12H12N4S2/c1-6-13-11-9(10-14-15-12(17)16(6)10)7-4-2-3-5-8(7)18-11/h2-5H2,1H3,(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 (2012)


BindingDB Entry DOI: 10.7270/Q2Q52N7M
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens)
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 (2012)


BindingDB Entry DOI: 10.7270/Q2Q52N7M
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens)
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 (2012)


BindingDB Entry DOI: 10.7270/Q2Q52N7M
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens)
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 (2012)


BindingDB Entry DOI: 10.7270/Q2Q52N7M
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens)
BDBM55750
PNG
(5-(2-phenylethylamino)-3H-1,3,4-thiadiazole-2-thio...)
Show SMILES Sc1nnc(NCCc2ccccc2)s1
Show InChI InChI=1S/C10H11N3S2/c14-10-13-12-9(15-10)11-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)(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 (2012)


BindingDB Entry DOI: 10.7270/Q2Q52N7M
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens)
BDBM59059
PNG
(4-amyl-1-thioxo-2H-[1,2,4]triazolo[4,3-a]quinazoli...)
Show SMILES CCCCCn1c2n[nH]c(=S)n2c2ccccc2c1=O
Show InChI InChI=1S/C14H16N4OS/c1-2-3-6-9-17-12(19)10-7-4-5-8-11(10)18-13(17)15-16-14(18)20/h4-5,7-8H,2-3,6,9H2,1H3,(H,16,20)
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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 (2012)


BindingDB Entry DOI: 10.7270/Q2Q52N7M
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens)
BDBM91539
PNG
(MLS-0471588.0001 | cid_18524315)
Show SMILES CCc1nc2sc3CC(C)CCc3c2c2n[nH]c(=S)n12
Show InChI InChI=1S/C14H16N4S2/c1-3-10-15-13-11(12-16-17-14(19)18(10)12)8-5-4-7(2)6-9(8)20-13/h7H,3-6H2,1-2H3,(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 (2012)


BindingDB Entry DOI: 10.7270/Q2Q52N7M
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens)
BDBM80421
PNG
(2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[2-[...)
Show SMILES CC(C)(C)NC(=O)CSc1nc2ccc(NC(=O)CSc3nnc(N)s3)cc2s1
Show InChI InChI=1S/C17H20N6O2S4/c1-17(2,3)21-13(25)8-26-15-20-10-5-4-9(6-11(10)28-15)19-12(24)7-27-16-23-22-14(18)29-16/h4-6H,7-8H2,1-3H3,(H2,18,22)(H,19,24)(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 (2012)


BindingDB Entry DOI: 10.7270/Q2Q52N7M
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens)
BDBM60611
PNG
((4E)-2-methoxy-4-[[[3-(1,4,5,6-tetrahydrocyclopent...)
Show SMILES COc1cc(C=Nn2c(n[nH]c2=S)-c2n[nH]c3CCCc23)ccc1O
Show InChI InChI=1S/C16H14N6O2S/c1-24-13-7-9(5-6-12(13)23)8-17-22-15(20-21-16(22)25)14-10-3-2-4-11(10)18-19-14/h5-8,23H,2-4H2,1H3/b15-14+,17-8?
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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 (2012)


BindingDB Entry DOI: 10.7270/Q2Q52N7M
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens)
BDBM66135
PNG
(5-methyl-3-[(E)-2-(1-methyl-4-pyridin-1-iumyl)ethe...)
Show SMILES Cc1ccc2[nH]cc(\C=C\c3cc[n+](C)cc3)c2c1
Show InChI InChI=1S/C17H16N2/c1-13-3-6-17-16(11-13)15(12-18-17)5-4-14-7-9-19(2)10-8-14/h3-12H,1-2H3/p+1
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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 (2012)


BindingDB Entry DOI: 10.7270/Q2Q52N7M
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens)
BDBM91538
PNG
(MLS-0471587.0001 | cid_3203746)
Show SMILES CCc1nc2sc3CC(C)CCc3c2c2nnc(SC)n12
Show InChI InChI=1S/C15H18N4S2/c1-4-11-16-14-12(13-17-18-15(20-3)19(11)13)9-6-5-8(2)7-10(9)21-14/h8H,4-7H2,1-3H3
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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 (2012)


BindingDB Entry DOI: 10.7270/Q2Q52N7M
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens)
BDBM91536
PNG
(6-bromanyl-N-(phenylmethyl)pyrazolo[1,5-a]pyrimidi...)
Show SMILES Brc1cnc2cc(nn2c1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C14H11BrN4O/c15-11-8-16-13-6-12(18-19(13)9-11)14(20)17-7-10-4-2-1-3-5-10/h1-6,8-9H,7H2,(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 (2012)


BindingDB Entry DOI: 10.7270/Q2Q52N7M
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens)
BDBM80326
PNG
(4-phenyl-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]...)
Show SMILES O=c1n(-c2ccccc2)c2n[nH]c(=S)n2c2ccccc12
Show InChI InChI=1S/C15H10N4OS/c20-13-11-8-4-5-9-12(11)19-14(16-17-15(19)21)18(13)10-6-2-1-3-7-10/h1-9H,(H,17,21)
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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 (2012)


BindingDB Entry DOI: 10.7270/Q2Q52N7M
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens)
BDBM91533
PNG
(MLS-0471509.0001 | cid_3791782)
Show SMILES CCc1nc2sc3CCCCc3c2c2nnc(SC)n12
Show InChI InChI=1S/C14H16N4S2/c1-3-10-15-13-11(8-6-4-5-7-9(8)20-13)12-16-17-14(19-2)18(10)12/h3-7H2,1-2H3
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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 (2012)


BindingDB Entry DOI: 10.7270/Q2Q52N7M
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens)
BDBM60899
PNG
(4-propyl-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]...)
Show SMILES CCCn1c2n[nH]c(=S)n2c2ccccc2c1=O
Show InChI InChI=1S/C12H12N4OS/c1-2-7-15-10(17)8-5-3-4-6-9(8)16-11(15)13-14-12(16)18/h3-6H,2,7H2,1H3,(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 (2012)


BindingDB Entry DOI: 10.7270/Q2Q52N7M
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens)
BDBM91532
PNG
(1-(methylthio)-4-propyl-[1,2,4]triazolo[4,3-a]quin...)
Show SMILES CCCn1c2nnc(SC)n2c2ccccc2c1=O
Show InChI InChI=1S/C13H14N4OS/c1-3-8-16-11(18)9-6-4-5-7-10(9)17-12(16)14-15-13(17)19-2/h4-7H,3,8H2,1-2H3
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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 (2012)


BindingDB Entry DOI: 10.7270/Q2Q52N7M
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens)
BDBM91531
PNG
(2-[[5-(4-methylphenyl)-3-thiazolo[2,3-c][1,2,4]tri...)
Show SMILES Cc1ccc(cc1)-c1csc2nnc(SCC(N)=O)n12
Show InChI InChI=1S/C13H12N4OS2/c1-8-2-4-9(5-3-8)10-6-19-12-15-16-13(17(10)12)20-7-11(14)18/h2-6H,7H2,1H3,(H2,14,18)
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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 (2012)


BindingDB Entry DOI: 10.7270/Q2Q52N7M
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens)
BDBM91529
PNG
(4-(3-methylbutyl)-1-(methylthio)-[1,2,4]triazolo[4...)
Show SMILES CSc1nnc2n(CCC(C)C)c(=O)c3ccccc3n12
Show InChI InChI=1S/C15H18N4OS/c1-10(2)8-9-18-13(20)11-6-4-5-7-12(11)19-14(18)16-17-15(19)21-3/h4-7,10H,8-9H2,1-3H3
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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 (2012)


BindingDB Entry DOI: 10.7270/Q2Q52N7M
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens)
BDBM1516
PNG
(cid_2236914)
Show SMILES Clc1c(nn2cccnc12)C(=O)NCc1ccc2OCOc2c1
Show InChI InChI=1S/C15H11ClN4O3/c16-12-13(19-20-5-1-4-17-14(12)20)15(21)18-7-9-2-3-10-11(6-9)23-8-22-10/h1-6H,7-8H2,(H,18,21)
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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 (2012)


BindingDB Entry DOI: 10.7270/Q2Q52N7M
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens)
BDBM80140
PNG
(7,8,9,10-Tetrahydro-2H-6-thia-1,2,3a,5-tetraaza-cy...)
Show SMILES S=c1[nH]nc2c3c4CCCCc4sc3ncn12
Show InChI InChI=1S/C11H10N4S2/c16-11-14-13-9-8-6-3-1-2-4-7(6)17-10(8)12-5-15(9)11/h5H,1-4H2,(H,14,16)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>9.90E+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 (2012)


BindingDB Entry DOI: 10.7270/Q2Q52N7M
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%