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PubMed code 26358009

Compile data set for download or QSAR
Found 8 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)
BDBM50118474
PNG
(CHEMBL3613310)
Show SMILES Cc1ccc(o1)-c1cc(C(=O)Nc2nnc(s2)-c2ccncc2)c2ccccc2n1
Show InChI InChI=1S/C22H15N5O2S/c1-13-6-7-19(29-13)18-12-16(15-4-2-3-5-17(15)24-18)20(28)25-22-27-26-21(30-22)14-8-10-23-11-9-14/h2-12H,1H3,(H,25,27,28)
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PubMed
n/an/a 2.80E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of APOBEC3A (unknown origin) by fluorescence-based ssDNA C-to-U deaminase assay


J Med Chem 58: 7419-30 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00930
BindingDB Entry DOI: 10.7270/Q2B27X3K
More data for this
Ligand-Target Pair
probable DNA dC->dU-editing enzyme APOBEC-3A


(Homo sapiens)
BDBM50118474
PNG
(CHEMBL3613310)
Show SMILES Cc1ccc(o1)-c1cc(C(=O)Nc2nnc(s2)-c2ccncc2)c2ccccc2n1
Show InChI InChI=1S/C22H15N5O2S/c1-13-6-7-19(29-13)18-12-16(15-4-2-3-5-17(15)24-18)20(28)25-22-27-26-21(30-22)14-8-10-23-11-9-14/h2-12H,1H3,(H,25,27,28)
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PubMed
n/an/a 9.80E+3n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of APOBEC3A (unknown origin) by fluorescence-based ssDNA C-to-U deaminase assay


J Med Chem 58: 7419-30 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00930
BindingDB Entry DOI: 10.7270/Q2B27X3K
More data for this
Ligand-Target Pair
DNA dC->dU-editing enzyme APOBEC-3G


(Homo sapiens)
BDBM50118474
PNG
(CHEMBL3613310)
Show SMILES Cc1ccc(o1)-c1cc(C(=O)Nc2nnc(s2)-c2ccncc2)c2ccccc2n1
Show InChI InChI=1S/C22H15N5O2S/c1-13-6-7-19(29-13)18-12-16(15-4-2-3-5-17(15)24-18)20(28)25-22-27-26-21(30-22)14-8-10-23-11-9-14/h2-12H,1H3,(H,25,27,28)
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PubMed
n/an/a 1.08E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of APOBEC3G (unknown origin) fluorescence-based ssDNA C-to-U deaminase assay


J Med Chem 58: 7419-30 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00930
BindingDB Entry DOI: 10.7270/Q2B27X3K
More data for this
Ligand-Target Pair
DNA dC->dU-editing enzyme APOBEC-3G


(Homo sapiens)
BDBM50118475
PNG
(CHEMBL3613465)
Show SMILES CC(=O)\C=C/C(=O)c1cc(C(=O)Nc2nnc(s2)-c2ccncc2)c2ccccc2n1
Show InChI InChI=1S/C22H15N5O3S/c1-13(28)6-7-19(29)18-12-16(15-4-2-3-5-17(15)24-18)20(30)25-22-27-26-21(31-22)14-8-10-23-11-9-14/h2-12H,1H3,(H,25,27,30)/b7-6-
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PubMed
n/an/a 1.08E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of APOBEC3G (unknown origin) using ssDNA oligomer 5'-6-FAM-AAA-TAT-TCC-CTA-ATA-GAT-AAT-GTG-A-TAMRA-3' by fluorescence-based deamination HT...


J Med Chem 58: 7419-30 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00930
BindingDB Entry DOI: 10.7270/Q2B27X3K
More data for this
Ligand-Target Pair
DNA dC->dU-editing enzyme APOBEC-3G


(Homo sapiens)
BDBM50118475
PNG
(CHEMBL3613465)
Show SMILES CC(=O)\C=C/C(=O)c1cc(C(=O)Nc2nnc(s2)-c2ccncc2)c2ccccc2n1
Show InChI InChI=1S/C22H15N5O3S/c1-13(28)6-7-19(29)18-12-16(15-4-2-3-5-17(15)24-18)20(30)25-22-27-26-21(31-22)14-8-10-23-11-9-14/h2-12H,1H3,(H,25,27,30)/b7-6-
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Article
PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of APOBEC3G (unknown origin) using ssDNA oligomer 5'-6-FAM-AAA-TAT-TCC-CTA-ATA-GAT-AAT-GTG-A-TAMRA-3' by fluorescence-based deamination as...


J Med Chem 58: 7419-30 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00930
BindingDB Entry DOI: 10.7270/Q2B27X3K
More data for this
Ligand-Target Pair
DNA dC->dU-editing enzyme APOBEC-3G


(Homo sapiens)
BDBM50118475
PNG
(CHEMBL3613465)
Show SMILES CC(=O)\C=C/C(=O)c1cc(C(=O)Nc2nnc(s2)-c2ccncc2)c2ccccc2n1
Show InChI InChI=1S/C22H15N5O3S/c1-13(28)6-7-19(29)18-12-16(15-4-2-3-5-17(15)24-18)20(30)25-22-27-26-21(31-22)14-8-10-23-11-9-14/h2-12H,1H3,(H,25,27,30)/b7-6-
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Article
PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of APOBEC3G (unknown origin) using ssDNA oligomer 5'-6-FAM-AAA-TAT-TCC-CTA-ATA-GAT-AAT-GTG-A-TAMRA-3' by fluorescence-based deamination as...


J Med Chem 58: 7419-30 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00930
BindingDB Entry DOI: 10.7270/Q2B27X3K
More data for this
Ligand-Target Pair
DNA dC->dU-editing enzyme APOBEC-3G


(Homo sapiens)
BDBM50118474
PNG
(CHEMBL3613310)
Show SMILES Cc1ccc(o1)-c1cc(C(=O)Nc2nnc(s2)-c2ccncc2)c2ccccc2n1
Show InChI InChI=1S/C22H15N5O2S/c1-13-6-7-19(29-13)18-12-16(15-4-2-3-5-17(15)24-18)20(28)25-22-27-26-21(30-22)14-8-10-23-11-9-14/h2-12H,1H3,(H,25,27,28)
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Article
PubMed
n/an/a 5.03E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of APOBEC3G (unknown origin) fluorescence-based ssDNA C-to-U deaminase assay


J Med Chem 58: 7419-30 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00930
BindingDB Entry DOI: 10.7270/Q2B27X3K
More data for this
Ligand-Target Pair
DNA dC->dU-editing enzyme APOBEC-3G


(Homo sapiens)
BDBM50118475
PNG
(CHEMBL3613465)
Show SMILES CC(=O)\C=C/C(=O)c1cc(C(=O)Nc2nnc(s2)-c2ccncc2)c2ccccc2n1
Show InChI InChI=1S/C22H15N5O3S/c1-13(28)6-7-19(29)18-12-16(15-4-2-3-5-17(15)24-18)20(30)25-22-27-26-21(31-22)14-8-10-23-11-9-14/h2-12H,1H3,(H,25,27,30)/b7-6-
PDB
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PC sid
UniChem

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Article
PubMed
n/an/a 5.03E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of APOBEC3G (unknown origin) using ssDNA oligomer 5'-6-FAM-AAA-TAT-TCC-CTA-ATA-GAT-AAT-GTG-A-TAMRA-3' by fluorescence-based deamination as...


J Med Chem 58: 7419-30 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00930
BindingDB Entry DOI: 10.7270/Q2B27X3K
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%