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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 191.1
BDBM50389482
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Wt: 151.1
BDBM50389483
Wt: 139.1
BDBM50389484
Wt: 167.2
BDBM50389485
Wt: 137.1
BDBM50389486
Wt: 194.1
BDBM50389487
Wt: 215.2
BDBM50389488
Wt: 204.2
BDBM50389489
Wt: 202.2
BDBM50389493
Wt: 215.2
BDBM50389494
Wt: 201.2
BDBM50389495
Wt: 205.2
BDBM50389498
Wt: 219.1
BDBM50389501
Wt: 165.1
BDBM50389506
Wt: 112.0
BDBM50389508
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Displayed 1 to 15 (of 36 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 17 hits in this display   
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
M.SssI methyltransferase


(Spiroplasma monobiae strain MQ-1)
BDBM50389487
PNG
(CHEMBL2063048)
Show SMILES O=C1NCNC(NCc2ccco2)=N1
Show InChI InChI=1S/C8H10N4O2/c13-8-11-5-10-7(12-8)9-4-6-2-1-3-14-6/h1-3H,4-5H2,(H3,9,10,11,12,13)
UniProtKB/SwissProt

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UniChem
Article
PubMed
700n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Competitive inhibition of Spiroplasma sp. MQ1 SssI methyltransferase using pUC18 as substrate measured for 10 mins by Dixon plot analysis


Eur J Med Chem 55: 243-54 (2012)


Article DOI: 10.1016/j.ejmech.2012.07.024
BindingDB Entry DOI: 10.7270/Q2GH9K11
More data for this
Ligand-Target Pair
M.SssI methyltransferase


(Spiroplasma monobiae strain MQ-1)
BDBM50389488
PNG
(CHEMBL2063060)
Show SMILES Cc1cnc(=O)[nH]c1NCc1ccccc1
Show InChI InChI=1S/C12H13N3O/c1-9-7-14-12(16)15-11(9)13-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H2,13,14,15,16)
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UniChem

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Article
PubMed
3.60E+3n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Competitive inhibition of Spiroplasma sp. MQ1 SssI methyltransferase using pUC18 as substrate measured for 10 mins by Dixon plot analysis


Eur J Med Chem 55: 243-54 (2012)


Article DOI: 10.1016/j.ejmech.2012.07.024
BindingDB Entry DOI: 10.7270/Q2GH9K11
More data for this
Ligand-Target Pair
M.SssI methyltransferase


(Spiroplasma monobiae strain MQ-1)
BDBM50389495
PNG
(CHEMBL2063052)
Show SMILES O=c1nccc(NCc2ccccc2)[nH]1
Show InChI InChI=1S/C11H11N3O/c15-11-12-7-6-10(14-11)13-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,12,13,14,15)
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PubMed
1.00E+4n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Competitive inhibition of Spiroplasma sp. MQ1 SssI methyltransferase using pUC18 as substrate measured for 10 mins by Dixon plot analysis


Eur J Med Chem 55: 243-54 (2012)


Article DOI: 10.1016/j.ejmech.2012.07.024
BindingDB Entry DOI: 10.7270/Q2GH9K11
More data for this
Ligand-Target Pair
M.SssI methyltransferase


(Spiroplasma monobiae strain MQ-1)
BDBM50389498
PNG
(CHEMBL2063050)
Show SMILES Cc1cnc(=O)[nH]c1NCc1ccco1
Show InChI InChI=1S/C10H11N3O2/c1-7-5-12-10(14)13-9(7)11-6-8-3-2-4-15-8/h2-5H,6H2,1H3,(H2,11,12,13,14)
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PubMed
1.50E+4n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Competitive inhibition of Spiroplasma sp. MQ1 SssI methyltransferase using pUC18 as substrate measured for 10 mins by Dixon plot analysis


Eur J Med Chem 55: 243-54 (2012)


Article DOI: 10.1016/j.ejmech.2012.07.024
BindingDB Entry DOI: 10.7270/Q2GH9K11
More data for this
Ligand-Target Pair
M.SssI methyltransferase


(Spiroplasma monobiae strain MQ-1)
BDBM50389489
PNG
(CHEMBL2063059)
Show SMILES O=C1NCNC(NCc2ccccc2)=N1
Show InChI InChI=1S/C10H12N4O/c15-10-13-7-12-9(14-10)11-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H3,11,12,13,14,15)
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PC sid
UniChem
Article
PubMed
2.00E+4n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Competitive inhibition of Spiroplasma sp. MQ1 SssI methyltransferase using pUC18 as substrate measured for 10 mins by Dixon plot analysis


Eur J Med Chem 55: 243-54 (2012)


Article DOI: 10.1016/j.ejmech.2012.07.024
BindingDB Entry DOI: 10.7270/Q2GH9K11
More data for this
Ligand-Target Pair
M.SssI methyltransferase


(Spiroplasma monobiae strain MQ-1)
BDBM50389494
PNG
(CHEMBL2063053)
Show SMILES Cc1ccc(CNc2ccnc(=O)[nH]2)cc1
Show InChI InChI=1S/C12H13N3O/c1-9-2-4-10(5-3-9)8-14-11-6-7-13-12(16)15-11/h2-7H,8H2,1H3,(H2,13,14,15,16)
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Article
PubMed
2.60E+4n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Competitive inhibition of Spiroplasma sp. MQ1 SssI methyltransferase using pUC18 as substrate measured for 10 mins by Dixon plot analysis


Eur J Med Chem 55: 243-54 (2012)


Article DOI: 10.1016/j.ejmech.2012.07.024
BindingDB Entry DOI: 10.7270/Q2GH9K11
More data for this
Ligand-Target Pair
M.SssI methyltransferase


(Spiroplasma monobiae strain MQ-1)
BDBM50389482
PNG
(CHEMBL1699292)
Show SMILES O=c1nccc(NCc2ccco2)[nH]1
Show InChI InChI=1S/C9H9N3O2/c13-9-10-4-3-8(12-9)11-6-7-2-1-5-14-7/h1-5H,6H2,(H2,10,11,12,13)
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PC cid
PC sid
UniChem

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Article
PubMed
7.00E+4n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Competitive inhibition of Spiroplasma sp. MQ1 SssI methyltransferase using pUC18 as substrate measured for 10 mins by Dixon plot analysis


Eur J Med Chem 55: 243-54 (2012)


Article DOI: 10.1016/j.ejmech.2012.07.024
BindingDB Entry DOI: 10.7270/Q2GH9K11
More data for this
Ligand-Target Pair
M.SssI methyltransferase


(Spiroplasma monobiae strain MQ-1)
BDBM50389501
PNG
(CHEMBL2063046)
Show SMILES O=Cc1cnc(=O)[nH]c1NCc1ccco1
Show InChI InChI=1S/C10H9N3O3/c14-6-7-4-12-10(15)13-9(7)11-5-8-2-1-3-16-8/h1-4,6H,5H2,(H2,11,12,13,15)
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Article
PubMed
8.30E+4n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Competitive inhibition of Spiroplasma sp. MQ1 SssI methyltransferase using pUC18 as substrate measured for 10 mins by Dixon plot analysis


Eur J Med Chem 55: 243-54 (2012)


Article DOI: 10.1016/j.ejmech.2012.07.024
BindingDB Entry DOI: 10.7270/Q2GH9K11
More data for this
Ligand-Target Pair
M.SssI methyltransferase


(Spiroplasma monobiae strain MQ-1)
BDBM50389493
PNG
(CHEMBL2063054)
Show SMILES O=c1nccc(NCc2cccnc2)[nH]1
Show InChI InChI=1S/C10H10N4O/c15-10-12-5-3-9(14-10)13-7-8-2-1-4-11-6-8/h1-6H,7H2,(H2,12,13,14,15)
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PC sid
UniChem
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PubMed
4.00E+5n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Competitive inhibition of Spiroplasma sp. MQ1 SssI methyltransferase using pUC18 as substrate measured for 10 mins by Dixon plot analysis


Eur J Med Chem 55: 243-54 (2012)


Article DOI: 10.1016/j.ejmech.2012.07.024
BindingDB Entry DOI: 10.7270/Q2GH9K11
More data for this
Ligand-Target Pair
M.SssI methyltransferase


(Spiroplasma monobiae strain MQ-1)
BDBM50389506
PNG
(CHEMBL2063064)
Show SMILES CCCC=Nc1ccnc(=O)[nH]1
Show InChI InChI=1S/C8H11N3O/c1-2-3-5-9-7-4-6-10-8(12)11-7/h4-6H,2-3H2,1H3,(H,10,11,12)
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PubMed
8.00E+5n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of Spiroplasma sp. MQ1 SssI methyltransferase using pUC18 as substrate measured for 10 mins by Cornish-Bowden's plot analysi...


Eur J Med Chem 55: 243-54 (2012)


Article DOI: 10.1016/j.ejmech.2012.07.024
BindingDB Entry DOI: 10.7270/Q2GH9K11
More data for this
Ligand-Target Pair
M.SssI methyltransferase


(Spiroplasma monobiae strain MQ-1)
BDBM50389485
PNG
(CHEMBL2063066)
Show SMILES CCCCNc1ccnc(=O)[nH]1
Show InChI InChI=1S/C8H13N3O/c1-2-3-5-9-7-4-6-10-8(12)11-7/h4,6H,2-3,5H2,1H3,(H2,9,10,11,12)
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PC sid
UniChem
Article
PubMed
1.00E+6n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of Spiroplasma sp. MQ1 SssI methyltransferase using pUC18 as substrate measured for 10 mins by Cornish-Bowden's plot analysi...


Eur J Med Chem 55: 243-54 (2012)


Article DOI: 10.1016/j.ejmech.2012.07.024
BindingDB Entry DOI: 10.7270/Q2GH9K11
More data for this
Ligand-Target Pair
M.SssI methyltransferase


(Spiroplasma monobiae strain MQ-1)
BDBM50389483
PNG
(CHEMBL2063063)
Show SMILES CCC=Nc1ccnc(=O)[nH]1
Show InChI InChI=1S/C7H9N3O/c1-2-4-8-6-3-5-9-7(11)10-6/h3-5H,2H2,1H3,(H,9,10,11)
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PubMed
3.40E+6n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of Spiroplasma sp. MQ1 SssI methyltransferase using pUC18 as substrate measured for 10 mins by Cornish-Bowden's plot analysi...


Eur J Med Chem 55: 243-54 (2012)


Article DOI: 10.1016/j.ejmech.2012.07.024
BindingDB Entry DOI: 10.7270/Q2GH9K11
More data for this
Ligand-Target Pair
M.SssI methyltransferase


(Spiroplasma monobiae strain MQ-1)
BDBM50389508
PNG
(CHEMBL1230389)
Show SMILES Nc1ncnc(=O)[nH]1
Show InChI InChI=1S/C3H4N4O/c4-2-5-1-6-3(8)7-2/h1H,(H3,4,5,6,7,8)
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CHEMBL
MMDB
PC cid
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PDB
UniChem
Article
PubMed
5.50E+6n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Competitive inhibition of Spiroplasma sp. MQ1 SssI methyltransferase using pUC18 as substrate measured for 10 mins by Dixon plot analysis


Eur J Med Chem 55: 243-54 (2012)


Article DOI: 10.1016/j.ejmech.2012.07.024
BindingDB Entry DOI: 10.7270/Q2GH9K11
More data for this
Ligand-Target Pair
M.SssI methyltransferase


(Spiroplasma monobiae strain MQ-1)
BDBM50389486
PNG
(CHEMBL2063062)
Show SMILES CC=Nc1ccnc(=O)[nH]1
Show InChI InChI=1S/C6H7N3O/c1-2-7-5-3-4-8-6(10)9-5/h2-4H,1H3,(H,8,9,10)
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Article
PubMed
5.60E+6n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of Spiroplasma sp. MQ1 SssI methyltransferase using pUC18 as substrate measured for 10 mins by Cornish-Bowden's plot analysi...


Eur J Med Chem 55: 243-54 (2012)


Article DOI: 10.1016/j.ejmech.2012.07.024
BindingDB Entry DOI: 10.7270/Q2GH9K11
More data for this
Ligand-Target Pair
M.SssI methyltransferase


(Spiroplasma monobiae strain MQ-1)
BDBM50389484
PNG
(CHEMBL2063065)
Show SMILES CCNc1cc[nH]c(=O)n1
Show InChI InChI=1S/C6H9N3O/c1-2-7-5-3-4-8-6(10)9-5/h3-4H,2H2,1H3,(H2,7,8,9,10)
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PubMed
6.00E+6n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Uncompetitive inhibition of Spiroplasma sp. MQ1 SssI methyltransferase using pUC18 as substrate measured for 10 mins by Cornish-Bowden's plot analysi...


Eur J Med Chem 55: 243-54 (2012)


Article DOI: 10.1016/j.ejmech.2012.07.024
BindingDB Entry DOI: 10.7270/Q2GH9K11
More data for this
Ligand-Target Pair
M.SssI methyltransferase


(Spiroplasma monobiae strain MQ-1)
BDBM50389487
PNG
(CHEMBL2063048)
Show SMILES O=C1NCNC(NCc2ccco2)=N1
Show InChI InChI=1S/C8H10N4O2/c13-8-11-5-10-7(12-8)9-4-6-2-1-3-14-6/h1-3H,4-5H2,(H3,9,10,11,12,13)
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PubMed
n/an/a 2.73E+3n/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Spiroplasma sp. MQ1 SssI methyltransferase-mediated DNA cytosine methylation using pUC18 as substrate and [3H]CH3-SAM measured up to 10...


Eur J Med Chem 55: 243-54 (2012)


Article DOI: 10.1016/j.ejmech.2012.07.024
BindingDB Entry DOI: 10.7270/Q2GH9K11
More data for this
Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (DNMT1)


(Homo sapiens (Human))
BDBM50389487
PNG
(CHEMBL2063048)
Show SMILES O=C1NCNC(NCc2ccco2)=N1
Show InChI InChI=1S/C8H10N4O2/c13-8-11-5-10-7(12-8)9-4-6-2-1-3-14-6/h1-3H,4-5H2,(H3,9,10,11,12,13)
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n/an/a 2.20E+4n/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of DNMT1 in human HeLa cell nuclear extract assessed as methylated substrate level by ELISA


Eur J Med Chem 55: 243-54 (2012)


Article DOI: 10.1016/j.ejmech.2012.07.024
BindingDB Entry DOI: 10.7270/Q2GH9K11
More data for this
Ligand-Target Pair