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Compile Data Set for Download or QSAR

Found 37 hits Enz. Inhib. hit(s) with Target = 'M.SssI methyltransferase' AND taxid = 2136   
Target
(Institution)
LigandTarget
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)
BDBM50070942
PNG
((-)-Epigallocatechin gallate | (-)-Epigallocatechi...)
Show SMILES Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
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28n/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)

More data for this
Ligand-Target Pair
M.SssI methyltransferase


(Spiroplasma monobiae strain MQ-1)
BDBM50389497
PNG
(CHEMBL1564869)
Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C19H14N2O4/c22-17-13-6-1-2-7-14(13)18(23)21(17)16(19(24)25)9-11-10-20-15-8-4-3-5-12(11)15/h1-8,10,16,20H,9H2,(H,24,25)/t16-/m0/s1
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230n/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)

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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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)

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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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)

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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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)

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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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)

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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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)

More data for this
Ligand-Target Pair
M.SssI methyltransferase


(Spiroplasma monobiae strain MQ-1)
BDBM50389481
PNG
(CHEMBL2063056)
Show SMILES CC(=O)OCc1cnc(=O)[nH]c1NCc1ccccc1
Show InChI InChI=1S/C14H15N3O3/c1-10(18)20-9-12-8-16-14(19)17-13(12)15-7-11-5-3-2-4-6-11/h2-6,8H,7,9H2,1H3,(H2,15,16,17,19)
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2.30E+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)

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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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)

More data for this
Ligand-Target Pair
M.SssI methyltransferase


(Spiroplasma monobiae strain MQ-1)
BDBM50389491
PNG
(CHEMBL2063057)
Show SMILES OS(=O)(=O)Cc1cnc(=O)[nH]c1NCc1ccccc1
Show InChI InChI=1S/C12H13N3O4S/c16-12-14-7-10(8-20(17,18)19)11(15-12)13-6-9-4-2-1-3-5-9/h1-5,7H,6,8H2,(H,17,18,19)(H2,13,14,15,16)
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3.30E+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)

More data for this
Ligand-Target Pair
M.SssI methyltransferase


(Spiroplasma monobiae strain MQ-1)
BDBM50389490
PNG
(CHEMBL2063058)
Show SMILES O=Cc1cnc(=O)[nH]c1NCc1ccccc1
Show InChI InChI=1S/C12H11N3O2/c16-8-10-7-14-12(17)15-11(10)13-6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H2,13,14,15,17)
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3.50E+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)

More data for this
Ligand-Target Pair
M.SssI methyltransferase


(Spiroplasma monobiae strain MQ-1)
BDBM50389503
PNG
(CHEMBL2063044)
Show SMILES CC(=O)OCc1cnc(=O)[nH]c1NCc1ccco1
Show InChI InChI=1S/C12H13N3O4/c1-8(16)19-7-9-5-14-12(17)15-11(9)13-6-10-3-2-4-18-10/h2-5H,6-7H2,1H3,(H2,13,14,15,17)
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5.00E+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)

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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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)

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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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)

More data for this
Ligand-Target Pair
M.SssI methyltransferase


(Spiroplasma monobiae strain MQ-1)
BDBM50389502
PNG
(CHEMBL2063045)
Show SMILES OS(=O)(=O)Cc1cnc(=O)[nH]c1NCc1ccco1
Show InChI InChI=1S/C10H11N3O5S/c14-10-12-4-7(6-19(15,16)17)9(13-10)11-5-8-2-1-3-18-8/h1-4H,5-6H2,(H,15,16,17)(H2,11,12,13,14)
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1.12E+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)

More data for this
Ligand-Target Pair
M.SssI methyltransferase


(Spiroplasma monobiae strain MQ-1)
BDBM50389492
PNG
(CHEMBL2063055)
Show SMILES OCc1cnc(=O)[nH]c1NCc1ccccc1
Show InChI InChI=1S/C12H13N3O2/c16-8-10-7-14-12(17)15-11(10)13-6-9-4-2-1-3-5-9/h1-5,7,16H,6,8H2,(H2,13,14,15,17)
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1.35E+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)

More data for this
Ligand-Target Pair
M.SssI methyltransferase


(Spiroplasma monobiae strain MQ-1)
BDBM50389505
PNG
(CHEMBL2063041)
Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1ccc(NCc2ccco2)nc1=O
Show InChI InChI=1S/C14H17N3O5/c18-8-11-10(19)6-13(22-11)17-4-3-12(16-14(17)20)15-7-9-2-1-5-21-9/h1-5,10-11,13,18-19H,6-8H2,(H,15,16,20)/t10-,11+,13+/m0/s1
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1.70E+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)

More data for this
Ligand-Target Pair
M.SssI methyltransferase


(Spiroplasma monobiae strain MQ-1)
BDBM50389499
PNG
(CHEMBL2063049)
Show SMILES Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1NCc1ccco1
Show InChI InChI=1S/C15H19N3O5/c1-9-7-18(13-5-11(20)12(8-19)23-13)15(21)17-14(9)16-6-10-3-2-4-22-10/h2-4,7,11-13,19-20H,5-6,8H2,1H3,(H,16,17,21)/t11-,12+,13+/m0/s1
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2.50E+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)

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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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)

More data for this
Ligand-Target Pair
M.SssI methyltransferase


(Spiroplasma monobiae strain MQ-1)
BDBM50389504
PNG
(CHEMBL2063043)
Show SMILES OCc1cnc(=O)[nH]c1NCc1ccco1
Show InChI InChI=1S/C10H11N3O3/c14-6-7-4-12-10(15)13-9(7)11-5-8-2-1-3-16-8/h1-4,14H,5-6H2,(H2,11,12,13,15)
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4.40E+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)

More data for this
Ligand-Target Pair
M.SssI methyltransferase


(Spiroplasma monobiae strain MQ-1)
BDBM50389496
PNG
(CHEMBL472604)
Show SMILES Cc1ccc(cc1)S(=O)(=O)Nc1ccnc(=O)[nH]1
Show InChI InChI=1S/C11H11N3O3S/c1-8-2-4-9(5-3-8)18(16,17)14-10-6-7-12-11(15)13-10/h2-7H,1H3,(H2,12,13,14,15)
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5.50E+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)

More data for this
Ligand-Target Pair
M.SssI methyltransferase


(Spiroplasma monobiae strain MQ-1)
BDBM50389509
PNG
(CHEMBL2063042)
Show SMILES OCc1ccc(CNc2ccnc(=O)[nH]2)o1
Show InChI InChI=1S/C10H11N3O3/c14-6-8-2-1-7(16-8)5-12-9-3-4-11-10(15)13-9/h1-4,14H,5-6H2,(H2,11,12,13,15)
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7.00E+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)

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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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)

More data for this
Ligand-Target Pair
M.SssI methyltransferase


(Spiroplasma monobiae strain MQ-1)
BDBM50389500
PNG
(CHEMBL2063047)
Show SMILES CCCCNCc1cnc(=O)[nH]c1NCc1ccco1
Show InChI InChI=1S/C14H20N4O2/c1-2-3-6-15-8-11-9-17-14(19)18-13(11)16-10-12-5-4-7-20-12/h4-5,7,9,15H,2-3,6,8,10H2,1H3,(H2,16,17,18,19)
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9.60E+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)

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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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)

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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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)

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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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)

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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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)

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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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)

More data for this
Ligand-Target Pair
M.SssI methyltransferase


(Spiroplasma monobiae strain MQ-1)
BDBM50389507
PNG
(CHEMBL2063051)
Show SMILES [O-][N+](=O)c1ccccc1CNc1ccnc(=O)[nH]1
Show InChI InChI=1S/C11H10N4O3/c16-11-12-6-5-10(14-11)13-7-8-3-1-2-4-9(8)15(17)18/h1-6H,7H2,(H2,12,13,14,16)
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6.40E+6n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Non-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)

More data for this
Ligand-Target Pair
M.SssI methyltransferase


(Spiroplasma monobiae strain MQ-1)
BDBM50067040
PNG
(((E,E)-1,7-bis(4-hydroxy-3-methoxyphenyl)-1,6-hept...)
Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O
Show InChI InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3
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n/an/a 30n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of Spiroplasma sp. MQ-1 M.SssI


Bioorg Med Chem Lett 19: 706-9 (2009)

More data for this
Ligand-Target Pair
M.SssI methyltransferase


(Spiroplasma monobiae strain MQ-1)
BDBM50059989
PNG
((1E,4Z,6E)-5-Hydroxy-1,7-bis-(4-hydroxy-phenyl)-he...)
Show SMILES Oc1ccc(C=CC(=O)CC(=O)C=Cc2ccc(O)cc2)cc1
Show InChI InChI=1S/C19H16O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-12,20-21H,13H2
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n/an/a 30n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of Spiroplasma sp. MQ-1 M.SssI


Bioorg Med Chem Lett 19: 706-9 (2009)

More data for this
Ligand-Target Pair
M.SssI methyltransferase


(Spiroplasma monobiae strain MQ-1)
BDBM50163744
PNG
((1E,4Z,6E)-5-Hydroxy-1-(4-hydroxy-3-methoxy-phenyl...)
Show SMILES COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)cc2)ccc1O
Show InChI InChI=1S/C20H18O5/c1-25-20-12-15(6-11-19(20)24)5-10-18(23)13-17(22)9-4-14-2-7-16(21)8-3-14/h2-12,21,24H,13H2,1H3
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n/an/a 30n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of Spiroplasma sp. MQ-1 M.SssI


Bioorg Med Chem Lett 19: 706-9 (2009)

More data for this
Ligand-Target Pair
M.SssI methyltransferase


(Spiroplasma monobiae strain MQ-1)
BDBM50180789
PNG
(1,2-bis(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-y...)
Show SMILES Cc1ccn2c(CCc3nnc4cc(C)ccn34)nnc2c1
Show InChI InChI=1S/C16H16N6/c1-11-5-7-21-13(17-19-15(21)9-11)3-4-14-18-20-16-10-12(2)6-8-22(14)16/h5-10H,3-4H2,1-2H3
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n/an/a 400n/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant CpG methylase M.SssI


J Med Chem 49: 678-83 (2006)

More data for this
Ligand-Target Pair
M.SssI methyltransferase


(Spiroplasma monobiae strain MQ-1)
BDBM50180790
PNG
(2-(1,3-dioxoisoindolin-2-yl)-3-(1H-indol-3-yl)prop...)
Show SMILES OC(=O)C(Cc1c[nH]c2ccccc12)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C19H14N2O4/c22-17-13-6-1-2-7-14(13)18(23)21(17)16(19(24)25)9-11-10-20-15-8-4-3-5-12(11)15/h1-8,10,16,20H,9H2,(H,24,25)
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n/an/a 600n/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of recombinant CpG methylase M.SssI


J Med Chem 49: 678-83 (2006)

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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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)

More data for this
Ligand-Target Pair
M.SssI methyltransferase


(Spiroplasma monobiae strain MQ-1)
BDBM50384789
PNG
(CHEMBL2037378 | Laccaic acid A (LCA))
Show SMILES CC(=O)NCCc1ccc(O)c(c1)-c1c(O)c(O)c2C(=O)c3cc(O)c(C(O)=O)c(C(O)=O)c3C(=O)c2c1O
Show InChI InChI=1S/C26H19NO12/c1-8(28)27-5-4-9-2-3-12(29)10(6-9)15-22(33)19-18(24(35)23(15)34)20(31)11-7-13(30)16(25(36)37)17(26(38)39)14(11)21(19)32/h2-3,6-7,29-30,33-35H,4-5H2,1H3,(H,27,28)(H,36,37)(H,38,39)
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n/an/a 5.36E+4n/an/an/an/an/an/a



University of Iowa



Assay Description
Assays (0.1 ml) were conducted in 96-well black half-area plates in either a Wallac VICTOR2 or Biotek Synergy Neo plate reader at 37 °C in 10 mM Tri...


J Biol Chem 288: 23858-67 (2013)

More data for this
Ligand-Target Pair