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Compile Data Set for Download or QSAR

Found 2772 hits with Last Name = 'levin' and Initial = 'j'   
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
Methylthioadenosine Nucleosidase(MTAN)


(Escherichia coli (strain K12))
BDBM50136934
PNG
(3',4'-Dichloro-biphenyl-3-sulfonic acid (3-chloro-...)
Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2ccc(Cl)c(Cl)c2)cc2c(Cl)[nH]nc12
Show InChI InChI=1S/C23H21Cl3N4O2S/c1-13(2)12-27-21-11-16(10-18-22(21)28-29-23(18)26)30-33(31,32)17-5-3-4-14(8-17)15-6-7-19(24)20(25)9-15/h3-11,13,27,30H,12H2,1-2H3,(H,28,29)
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1.60n/an/an/an/an/an/an/an/a



Quorex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)


J Med Chem 46: 5663-73 (2003)


Article DOI: 10.1021/jm0302039
BindingDB Entry DOI: 10.7270/Q279443D
More data for this
Ligand-Target Pair
Methylthioadenosine Nucleosidase(MTAN)


(Escherichia coli (strain K12))
BDBM50136916
PNG
(3'-Chloro-4'-fluoro-biphenyl-3-sulfonic acid (3-ch...)
Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2ccc(F)c(Cl)c2)cc2c(Cl)[nH]nc12
Show InChI InChI=1S/C23H21Cl2FN4O2S/c1-13(2)12-27-21-11-16(10-18-22(21)28-29-23(18)25)30-33(31,32)17-5-3-4-14(8-17)15-6-7-20(26)19(24)9-15/h3-11,13,27,30H,12H2,1-2H3,(H,28,29)
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3.40n/an/an/an/an/an/an/an/a



Quorex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)


J Med Chem 46: 5663-73 (2003)


Article DOI: 10.1021/jm0302039
BindingDB Entry DOI: 10.7270/Q279443D
More data for this
Ligand-Target Pair
Methylthioadenosine Nucleosidase(MTAN)


(Escherichia coli (strain K12))
BDBM50136914
PNG
(4'-Chloro-3'-methyl-biphenyl-3-sulfonic acid (3-ch...)
Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2ccc(Cl)c(C)c2)cc2c(Cl)[nH]nc12
Show InChI InChI=1S/C24H24Cl2N4O2S/c1-14(2)13-27-22-12-18(11-20-23(22)28-29-24(20)26)30-33(31,32)19-6-4-5-16(10-19)17-7-8-21(25)15(3)9-17/h4-12,14,27,30H,13H2,1-3H3,(H,28,29)
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3.90n/an/an/an/an/an/an/an/a



Quorex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)


J Med Chem 46: 5663-73 (2003)


Article DOI: 10.1021/jm0302039
BindingDB Entry DOI: 10.7270/Q279443D
More data for this
Ligand-Target Pair
Methylthioadenosine Nucleosidase(MTAN)


(Escherichia coli (strain K12))
BDBM50136919
PNG
(3',4'-Difluoro-biphenyl-3-sulfonic acid (3-chloro-...)
Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2ccc(F)c(F)c2)cc2c(Cl)[nH]nc12
Show InChI InChI=1S/C23H21ClF2N4O2S/c1-13(2)12-27-21-11-16(10-18-22(21)28-29-23(18)24)30-33(31,32)17-5-3-4-14(8-17)15-6-7-19(25)20(26)9-15/h3-11,13,27,30H,12H2,1-2H3,(H,28,29)
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8.10n/an/an/an/an/an/an/an/a



Quorex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)


J Med Chem 46: 5663-73 (2003)


Article DOI: 10.1021/jm0302039
BindingDB Entry DOI: 10.7270/Q279443D
More data for this
Ligand-Target Pair
Methylthioadenosine Nucleosidase(MTAN)


(Escherichia coli (strain K12))
BDBM50136913
PNG
(CHEMBL156794 | N-(3-Chloro-7-isobutylamino-1H-inda...)
Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2cnc3ccccc3c2)cc2c(Cl)[nH]nc12
Show InChI InChI=1S/C26H24ClN5O2S/c1-16(2)14-28-24-13-20(12-22-25(24)30-31-26(22)27)32-35(33,34)21-8-5-7-17(11-21)19-10-18-6-3-4-9-23(18)29-15-19/h3-13,15-16,28,32H,14H2,1-2H3,(H,30,31)
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10.8n/an/an/an/an/an/an/an/a



Quorex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)


J Med Chem 46: 5663-73 (2003)


Article DOI: 10.1021/jm0302039
BindingDB Entry DOI: 10.7270/Q279443D
More data for this
Ligand-Target Pair
Methylthioadenosine Nucleosidase(MTAN)


(Escherichia coli (strain K12))
BDBM50136936
PNG
(3'-Trifluoromethyl-biphenyl-3-sulfonic acid (3-chl...)
Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2cccc(c2)C(F)(F)F)cc2c(Cl)[nH]nc12
Show InChI InChI=1S/C24H22ClF3N4O2S/c1-14(2)13-29-21-12-18(11-20-22(21)30-31-23(20)25)32-35(33,34)19-8-4-6-16(10-19)15-5-3-7-17(9-15)24(26,27)28/h3-12,14,29,32H,13H2,1-2H3,(H,30,31)
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11n/an/an/an/an/an/an/an/a



Quorex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)


J Med Chem 46: 5663-73 (2003)


Article DOI: 10.1021/jm0302039
BindingDB Entry DOI: 10.7270/Q279443D
More data for this
Ligand-Target Pair
Methylthioadenosine Nucleosidase(MTAN)


(Escherichia coli (strain K12))
BDBM50136942
PNG
(4'-Chloro-biphenyl-3-sulfonic acid (3-chloro-7-iso...)
Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2ccc(Cl)cc2)cc2c(Cl)[nH]nc12
Show InChI InChI=1S/C23H22Cl2N4O2S/c1-14(2)13-26-21-12-18(11-20-22(21)27-28-23(20)25)29-32(30,31)19-5-3-4-16(10-19)15-6-8-17(24)9-7-15/h3-12,14,26,29H,13H2,1-2H3,(H,27,28)
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12.5n/an/an/an/an/an/an/an/a



Quorex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)


J Med Chem 46: 5663-73 (2003)


Article DOI: 10.1021/jm0302039
BindingDB Entry DOI: 10.7270/Q279443D
More data for this
Ligand-Target Pair
Methylthioadenosine Nucleosidase(MTAN)


(Escherichia coli (strain K12))
BDBM50136911
PNG
(4'-Trifluoromethyl-biphenyl-3-sulfonic acid (3-chl...)
Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2ccc(cc2)C(F)(F)F)cc2c(Cl)[nH]nc12
Show InChI InChI=1S/C24H22ClF3N4O2S/c1-14(2)13-29-21-12-18(11-20-22(21)30-31-23(20)25)32-35(33,34)19-5-3-4-16(10-19)15-6-8-17(9-7-15)24(26,27)28/h3-12,14,29,32H,13H2,1-2H3,(H,30,31)
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13n/an/an/an/an/an/an/an/a



Quorex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)


J Med Chem 46: 5663-73 (2003)


Article DOI: 10.1021/jm0302039
BindingDB Entry DOI: 10.7270/Q279443D
More data for this
Ligand-Target Pair
Methylthioadenosine Nucleosidase(MTAN)


(Escherichia coli (strain K12))
BDBM50136918
PNG
(4'-Fluoro-3'-methyl-biphenyl-3-sulfonic acid (3-ch...)
Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2ccc(F)c(C)c2)cc2c(Cl)[nH]nc12
Show InChI InChI=1S/C24H24ClFN4O2S/c1-14(2)13-27-22-12-18(11-20-23(22)28-29-24(20)25)30-33(31,32)19-6-4-5-16(10-19)17-7-8-21(26)15(3)9-17/h4-12,14,27,30H,13H2,1-3H3,(H,28,29)
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14.6n/an/an/an/an/an/an/an/a



Quorex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)


J Med Chem 46: 5663-73 (2003)


Article DOI: 10.1021/jm0302039
BindingDB Entry DOI: 10.7270/Q279443D
More data for this
Ligand-Target Pair
Methylthioadenosine Nucleosidase(MTAN)


(Escherichia coli (strain K12))
BDBM50136935
PNG
(3'-Methylsulfanyl-biphenyl-3-sulfonic acid (3-chlo...)
Show SMILES CSc1cccc(c1)-c1cccc(c1)S(=O)(=O)Nc1cc(NCC(C)C)c2[nH]nc(Cl)c2c1
Show InChI InChI=1S/C24H25ClN4O2S2/c1-15(2)14-26-22-13-18(12-21-23(22)27-28-24(21)25)29-33(30,31)20-9-5-7-17(11-20)16-6-4-8-19(10-16)32-3/h4-13,15,26,29H,14H2,1-3H3,(H,27,28)
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17n/an/an/an/an/an/an/an/a



Quorex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)


J Med Chem 46: 5663-73 (2003)


Article DOI: 10.1021/jm0302039
BindingDB Entry DOI: 10.7270/Q279443D
More data for this
Ligand-Target Pair
Methylthioadenosine Nucleosidase(MTAN)


(Escherichia coli (strain K12))
BDBM50136910
PNG
(3'-Trifluoromethyl-biphenyl-3-sulfonic acid (7-iso...)
Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2cccc(c2)C(F)(F)F)cc2c(C)n[nH]c12
Show InChI InChI=1S/C25H25F3N4O2S/c1-15(2)14-29-23-13-20(12-22-16(3)30-31-24(22)23)32-35(33,34)21-9-5-7-18(11-21)17-6-4-8-19(10-17)25(26,27)28/h4-13,15,29,32H,14H2,1-3H3,(H,30,31)
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20n/an/an/an/an/an/an/an/a



Quorex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)


J Med Chem 46: 5663-73 (2003)


Article DOI: 10.1021/jm0302039
BindingDB Entry DOI: 10.7270/Q279443D
More data for this
Ligand-Target Pair
Methylthioadenosine Nucleosidase(MTAN)


(Escherichia coli (strain K12))
BDBM50136943
PNG
(3'-(2-Hydroxy-ethyl)-biphenyl-3-sulfonic acid (3-c...)
Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2cccc(CCO)c2)cc2c(Cl)[nH]nc12
Show InChI InChI=1S/C25H27ClN4O3S/c1-16(2)15-27-23-14-20(13-22-24(23)28-29-25(22)26)30-34(32,33)21-8-4-7-19(12-21)18-6-3-5-17(11-18)9-10-31/h3-8,11-14,16,27,30-31H,9-10,15H2,1-2H3,(H,28,29)
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25n/an/an/an/an/an/an/an/a



Quorex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)


J Med Chem 46: 5663-73 (2003)


Article DOI: 10.1021/jm0302039
BindingDB Entry DOI: 10.7270/Q279443D
More data for this
Ligand-Target Pair
Methylthioadenosine Nucleosidase(MTAN)


(Escherichia coli (strain K12))
BDBM50136922
PNG
(CHEMBL346924 | N-(3-Chloro-7-isobutylamino-1H-inda...)
Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2ccnc(C)c2)cc2c(Cl)[nH]nc12
Show InChI InChI=1S/C23H24ClN5O2S/c1-14(2)13-26-21-12-18(11-20-22(21)27-28-23(20)24)29-32(30,31)19-6-4-5-16(10-19)17-7-8-25-15(3)9-17/h4-12,14,26,29H,13H2,1-3H3,(H,27,28)
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28.5n/an/an/an/an/an/an/an/a



Quorex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)


J Med Chem 46: 5663-73 (2003)


Article DOI: 10.1021/jm0302039
BindingDB Entry DOI: 10.7270/Q279443D
More data for this
Ligand-Target Pair
Methylthioadenosine Nucleosidase(MTAN)


(Escherichia coli (strain K12))
BDBM50136907
PNG
(CHEMBL153876 | N-(3-Chloro-7-isobutylamino-1H-inda...)
Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2ccnc(C)n2)cc2c(Cl)[nH]nc12
Show InChI InChI=1S/C22H23ClN6O2S/c1-13(2)12-25-20-11-16(10-18-21(20)27-28-22(18)23)29-32(30,31)17-6-4-5-15(9-17)19-7-8-24-14(3)26-19/h4-11,13,25,29H,12H2,1-3H3,(H,27,28)
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36n/an/an/an/an/an/an/an/a



Quorex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)


J Med Chem 46: 5663-73 (2003)


Article DOI: 10.1021/jm0302039
BindingDB Entry DOI: 10.7270/Q279443D
More data for this
Ligand-Target Pair
Methylthioadenosine Nucleosidase(MTAN)


(Escherichia coli (strain K12))
BDBM50136940
PNG
(3'-Methyl-biphenyl-3-sulfonic acid (3-chloro-7-iso...)
Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2cccc(C)c2)cc2c(Cl)[nH]nc12
Show InChI InChI=1S/C24H25ClN4O2S/c1-15(2)14-26-22-13-19(12-21-23(22)27-28-24(21)25)29-32(30,31)20-9-5-8-18(11-20)17-7-4-6-16(3)10-17/h4-13,15,26,29H,14H2,1-3H3,(H,27,28)
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36n/an/an/an/an/an/an/an/a



Quorex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)


J Med Chem 46: 5663-73 (2003)


Article DOI: 10.1021/jm0302039
BindingDB Entry DOI: 10.7270/Q279443D
More data for this
Ligand-Target Pair
Methylthioadenosine Nucleosidase(MTAN)


(Escherichia coli (strain K12))
BDBM50136930
PNG
(CHEMBL154614 | N-(3-Chloro-7-isobutylamino-1H-inda...)
Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2ccncc2)cc2c(Cl)[nH]nc12
Show InChI InChI=1S/C22H22ClN5O2S/c1-14(2)13-25-20-12-17(11-19-21(20)26-27-22(19)23)28-31(29,30)18-5-3-4-16(10-18)15-6-8-24-9-7-15/h3-12,14,25,28H,13H2,1-2H3,(H,26,27)
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52n/an/an/an/an/an/an/an/a



Quorex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)


J Med Chem 46: 5663-73 (2003)


Article DOI: 10.1021/jm0302039
BindingDB Entry DOI: 10.7270/Q279443D
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase alpha/beta


(Homo sapiens (Human))
BDBM50257823
PNG
(CHEMBL4089551)
Show InChI InChI=1S/C13H10N6O2S/c14-5-8-6-17-12-10(8)11(18-13(15)19-12)7-1-3-9(4-2-7)22(16,20)21/h1-4,6H,(H2,16,20,21)(H3,15,17,18,19)
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80n/an/an/an/an/an/an/an/a



Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde , 161 Cathedral Street, Glasgow G4 0NR, Scotland, United Kingdom.

Curated by ChEMBL




J Med Chem 60: 7043-7066 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00484
More data for this
Ligand-Target Pair
Methylthioadenosine Nucleosidase(MTAN)


(Escherichia coli (strain K12))
BDBM50136921
PNG
(Biphenyl-3-sulfonic acid (3-chloro-7-isobutylamino...)
Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2ccccc2)cc2c(Cl)[nH]nc12
Show InChI InChI=1S/C23H23ClN4O2S/c1-15(2)14-25-21-13-18(12-20-22(21)26-27-23(20)24)28-31(29,30)19-10-6-9-17(11-19)16-7-4-3-5-8-16/h3-13,15,25,28H,14H2,1-2H3,(H,26,27)
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94n/an/an/an/an/an/an/an/a



Quorex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)


J Med Chem 46: 5663-73 (2003)


Article DOI: 10.1021/jm0302039
BindingDB Entry DOI: 10.7270/Q279443D
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase alpha/beta


(Homo sapiens (Human))
BDBM50257884
PNG
(CHEMBL4065551)
Show InChI InChI=1S/C14H12N6O2S/c1-23(21,22)20-10-4-2-8(3-5-10)12-11-9(6-15)7-17-13(11)19-14(16)18-12/h2-5,7,20H,1H3,(H3,16,17,18,19)
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100n/an/an/an/an/an/an/an/a



Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde , 161 Cathedral Street, Glasgow G4 0NR, Scotland, United Kingdom.

Curated by ChEMBL




J Med Chem 60: 7043-7066 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00484
More data for this
Ligand-Target Pair
Methylthioadenosine Nucleosidase(MTAN)


(Escherichia coli (strain K12))
BDBM50136938
PNG
(3'-Methyl-biphenyl-3-sulfonic acid (7-isobutylamin...)
Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2cccc(C)c2)cc2c(C)n[nH]c12
Show InChI InChI=1S/C25H28N4O2S/c1-16(2)15-26-24-14-21(13-23-18(4)27-28-25(23)24)29-32(30,31)22-10-6-9-20(12-22)19-8-5-7-17(3)11-19/h5-14,16,26,29H,15H2,1-4H3,(H,27,28)
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100n/an/an/an/an/an/an/an/a



Quorex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)


J Med Chem 46: 5663-73 (2003)


Article DOI: 10.1021/jm0302039
BindingDB Entry DOI: 10.7270/Q279443D
More data for this
Ligand-Target Pair
Methylthioadenosine Nucleosidase(MTAN)


(Escherichia coli (strain K12))
BDBM50136939
PNG
(3'-Ethyl-biphenyl-3-sulfonic acid (7-isobutylamino...)
Show SMILES CCc1cccc(c1)-c1cccc(c1)S(=O)(=O)Nc1cc(NCC(C)C)c2[nH]nc(C)c2c1
Show InChI InChI=1S/C26H30N4O2S/c1-5-19-8-6-9-20(12-19)21-10-7-11-23(13-21)33(31,32)30-22-14-24-18(4)28-29-26(24)25(15-22)27-16-17(2)3/h6-15,17,27,30H,5,16H2,1-4H3,(H,28,29)
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125n/an/an/an/an/an/an/an/a



Quorex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)


J Med Chem 46: 5663-73 (2003)


Article DOI: 10.1021/jm0302039
BindingDB Entry DOI: 10.7270/Q279443D
More data for this
Ligand-Target Pair
Methylthioadenosine Nucleosidase(MTAN)


(Escherichia coli (strain K12))
BDBM50136908
PNG
(CHEMBL153820 | N-(7-Isobutylamino-3-methyl-1H-inda...)
Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2ccnc(C)n2)cc2c(C)n[nH]c12
Show InChI InChI=1S/C23H26N6O2S/c1-14(2)13-25-22-12-18(11-20-15(3)27-28-23(20)22)29-32(30,31)19-7-5-6-17(10-19)21-8-9-24-16(4)26-21/h5-12,14,25,29H,13H2,1-4H3,(H,27,28)
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191n/an/an/an/an/an/an/an/a



Quorex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)


J Med Chem 46: 5663-73 (2003)


Article DOI: 10.1021/jm0302039
BindingDB Entry DOI: 10.7270/Q279443D
More data for this
Ligand-Target Pair
Methylthioadenosine Nucleosidase(MTAN)


(Escherichia coli (strain K12))
BDBM50136905
PNG
(CHEMBL157223 | N-(7-Isobutylamino-3-methyl-1H-inda...)
Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2ccncc2)cc2c(C)n[nH]c12
Show InChI InChI=1S/C23H25N5O2S/c1-15(2)14-25-22-13-19(12-21-16(3)26-27-23(21)22)28-31(29,30)20-6-4-5-18(11-20)17-7-9-24-10-8-17/h4-13,15,25,28H,14H2,1-3H3,(H,26,27)
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240n/an/an/an/an/an/an/an/a



Quorex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)


J Med Chem 46: 5663-73 (2003)


Article DOI: 10.1021/jm0302039
BindingDB Entry DOI: 10.7270/Q279443D
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase alpha/beta


(Homo sapiens (Human))
BDBM50257927
PNG
(CHEMBL4061406)
Show InChI InChI=1S/C14H11N5O2S/c1-22(20,21)10-4-2-8(3-5-10)12-11-9(6-15)7-17-13(11)19-14(16)18-12/h2-5,7H,1H3,(H3,16,17,18,19)
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300n/an/an/an/an/an/an/an/a



Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde , 161 Cathedral Street, Glasgow G4 0NR, Scotland, United Kingdom.

Curated by ChEMBL




J Med Chem 60: 7043-7066 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00484
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase alpha/beta


(Homo sapiens (Human))
BDBM50257824
PNG
(CHEMBL4074174)
Show InChI InChI=1S/C14H12N6O2S/c1-17-23(21,22)10-4-2-8(3-5-10)12-11-9(6-15)7-18-13(11)20-14(16)19-12/h2-5,7,17H,1H3,(H3,16,18,19,20)
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400n/an/an/an/an/an/an/an/a



Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde , 161 Cathedral Street, Glasgow G4 0NR, Scotland, United Kingdom.

Curated by ChEMBL




J Med Chem 60: 7043-7066 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00484
More data for this
Ligand-Target Pair
Methylthioadenosine Nucleosidase(MTAN)


(Escherichia coli (strain K12))
BDBM50136926
PNG
(Biphenyl-3-sulfonic acid (7-isobutylamino-3-methyl...)
Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2cccc(c2)-c2ccccc2)cc2c(C)n[nH]c12
Show InChI InChI=1S/C24H26N4O2S/c1-16(2)15-25-23-14-20(13-22-17(3)26-27-24(22)23)28-31(29,30)21-11-7-10-19(12-21)18-8-5-4-6-9-18/h4-14,16,25,28H,15H2,1-3H3,(H,26,27)
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498n/an/an/an/an/an/an/an/a



Quorex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)


J Med Chem 46: 5663-73 (2003)


Article DOI: 10.1021/jm0302039
BindingDB Entry DOI: 10.7270/Q279443D
More data for this
Ligand-Target Pair
Methylthioadenosine Nucleosidase(MTAN)


(Escherichia coli (strain K12))
BDBM50136927
PNG
(4-Chloro-N-[3-chloro-7-(cyclopropylmethyl-amino)-1...)
Show SMILES Clc1n[nH]c2c(NCC3CC3)cc(NS(=O)(=O)c3ccc(Cl)cc3)cc12
Show InChI InChI=1S/C17H16Cl2N4O2S/c18-11-3-5-13(6-4-11)26(24,25)23-12-7-14-16(21-22-17(14)19)15(8-12)20-9-10-1-2-10/h3-8,10,20,23H,1-2,9H2,(H,21,22)
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500n/an/an/an/an/an/an/an/a



Quorex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)


J Med Chem 46: 5663-73 (2003)


Article DOI: 10.1021/jm0302039
BindingDB Entry DOI: 10.7270/Q279443D
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase alpha/beta


(Homo sapiens (Human))
BDBM50257859
PNG
(CHEMBL4096206)
Show InChI InChI=1S/C12H11N5O2S/c13-12-16-10(9-5-6-15-11(9)17-12)7-1-3-8(4-2-7)20(14,18)19/h1-6H,(H2,14,18,19)(H3,13,15,16,17)
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610n/an/an/an/an/an/an/an/a



Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde , 161 Cathedral Street, Glasgow G4 0NR, Scotland, United Kingdom.

Curated by ChEMBL




J Med Chem 60: 7043-7066 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00484
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase alpha/beta


(Homo sapiens (Human))
BDBM50257822
PNG
(CHEMBL4088616)
Show InChI InChI=1S/C14H11N5O/c15-5-10-6-17-13-11(10)12(18-14(16)19-13)9-3-1-8(7-20)2-4-9/h1-4,6,20H,7H2,(H3,16,17,18,19)
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650n/an/an/an/an/an/an/an/a



Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde , 161 Cathedral Street, Glasgow G4 0NR, Scotland, United Kingdom.

Curated by ChEMBL




J Med Chem 60: 7043-7066 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00484
More data for this
Ligand-Target Pair
Methylthioadenosine Nucleosidase(MTAN)


(Escherichia coli (strain K12))
BDBM50136923
PNG
(4-Chloro-N-(3-chloro-7-isobutylamino-1H-indazol-5-...)
Show SMILES CC(C)CNc1cc(NS(=O)(=O)c2ccc(Cl)cc2)cc2c(Cl)[nH]nc12
Show InChI InChI=1S/C17H18Cl2N4O2S/c1-10(2)9-20-15-8-12(7-14-16(15)21-22-17(14)19)23-26(24,25)13-5-3-11(18)4-6-13/h3-8,10,20,23H,9H2,1-2H3,(H,21,22)
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760n/an/an/an/an/an/an/an/a



Quorex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)


J Med Chem 46: 5663-73 (2003)


Article DOI: 10.1021/jm0302039
BindingDB Entry DOI: 10.7270/Q279443D
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase alpha/beta


(Homo sapiens (Human))
BDBM50257925
PNG
(CHEMBL4086169)
Show InChI InChI=1/C12H14N6O3/c13-2-4-3-15-10-7(4)11(18-12(14)17-10)16-5-1-6(19)9(21)8(5)20/h3,5-6,8-9,19-21H,1H2,(H4,14,15,16,17,18)/t5-,6+,8+,9-/s2
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800n/an/an/an/an/an/an/an/a



Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde , 161 Cathedral Street, Glasgow G4 0NR, Scotland, United Kingdom.

Curated by ChEMBL




J Med Chem 60: 7043-7066 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00484
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase alpha/beta


(Homo sapiens (Human))
BDBM50257818
PNG
(CHEMBL4096327)
Show InChI InChI=1/C12H14N6O2/c13-3-5-4-15-10-8(5)11(18-12(14)17-10)16-6-1-2-7(19)9(6)20/h4,6-7,9,19-20H,1-2H2,(H4,14,15,16,17,18)/t6-,7-,9+/s2
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1.00E+3n/an/an/an/an/an/an/an/a



Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde , 161 Cathedral Street, Glasgow G4 0NR, Scotland, United Kingdom.

Curated by ChEMBL




J Med Chem 60: 7043-7066 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00484
More data for this
Ligand-Target Pair
Methylthioadenosine Nucleosidase(MTAN)


(Escherichia coli (strain K12))
BDBM50136937
PNG
(5-Dimethylamino-naphthalene-1-sulfonic acid (1H-in...)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1ccc2c[nH]nc2c1
Show InChI InChI=1S/C19H18N4O2S/c1-23(2)18-7-3-6-16-15(18)5-4-8-19(16)26(24,25)22-14-10-9-13-12-20-21-17(13)11-14/h3-12,22H,1-2H3,(H,20,21)
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1.00E+3n/an/an/an/an/an/an/an/a



Quorex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)


J Med Chem 46: 5663-73 (2003)


Article DOI: 10.1021/jm0302039
BindingDB Entry DOI: 10.7270/Q279443D
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase alpha/beta


(Homo sapiens (Human))
BDBM50257823
PNG
(CHEMBL4089551)
Show InChI InChI=1S/C13H10N6O2S/c14-5-8-6-17-12-10(8)11(18-13(15)19-12)7-1-3-9(4-2-7)22(16,20)21/h1-4,6H,(H2,16,20,21)(H3,15,17,18,19)
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1.00E+3n/an/an/an/an/an/an/an/a



Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde , 161 Cathedral Street, Glasgow G4 0NR, Scotland, United Kingdom.

Curated by ChEMBL




J Med Chem 60: 7043-7066 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00484
More data for this
Ligand-Target Pair
Methylthioadenosine Nucleosidase(MTAN)


(Escherichia coli (strain K12))
BDBM50136931
PNG
(4-Chloro-N-[3-chloro-7-(2,2-dimethyl-propylamino)-...)
Show SMILES CC(C)(C)CNc1cc(NS(=O)(=O)c2ccc(Cl)cc2)cc2c(Cl)[nH]nc12
Show InChI InChI=1S/C18H20Cl2N4O2S/c1-18(2,3)10-21-15-9-12(8-14-16(15)22-23-17(14)20)24-27(25,26)13-6-4-11(19)5-7-13/h4-9,21,24H,10H2,1-3H3,(H,22,23)
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1.20E+3n/an/an/an/an/an/an/an/a



Quorex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)


J Med Chem 46: 5663-73 (2003)


Article DOI: 10.1021/jm0302039
BindingDB Entry DOI: 10.7270/Q279443D
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase alpha/beta


(Homo sapiens (Human))
BDBM50257884
PNG
(CHEMBL4065551)
Show InChI InChI=1S/C14H12N6O2S/c1-23(21,22)20-10-4-2-8(3-5-10)12-11-9(6-15)7-17-13(11)19-14(16)18-12/h2-5,7,20H,1H3,(H3,16,17,18,19)
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1.40E+3n/an/an/an/an/an/an/an/a



Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde , 161 Cathedral Street, Glasgow G4 0NR, Scotland, United Kingdom.

Curated by ChEMBL




J Med Chem 60: 7043-7066 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00484
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase alpha/beta


(Homo sapiens (Human))
BDBM50257825
PNG
(CHEMBL4100931)
Show InChI InChI=1S/C20H16N6O2S/c1-12-2-6-15(7-3-12)26-29(27,28)16-8-4-13(5-9-16)18-17-14(10-21)11-23-19(17)25-20(22)24-18/h2-9,11,26H,1H3,(H3,22,23,24,25)
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1.40E+3n/an/an/an/an/an/an/an/a



Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde , 161 Cathedral Street, Glasgow G4 0NR, Scotland, United Kingdom.

Curated by ChEMBL




J Med Chem 60: 7043-7066 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00484
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase alpha/beta


(Homo sapiens (Human))
BDBM50257863
PNG
(CHEMBL4068933)
Show InChI InChI=1S/C12H10N4O2S/c13-19(17,18)9-3-1-8(2-4-9)11-10-5-6-14-12(10)16-7-15-11/h1-7H,(H2,13,17,18)(H,14,15,16)
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1.50E+3n/an/an/an/an/an/an/an/a



Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde , 161 Cathedral Street, Glasgow G4 0NR, Scotland, United Kingdom.

Curated by ChEMBL




J Med Chem 60: 7043-7066 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00484
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase alpha/beta


(Homo sapiens (Human))
BDBM50257820
PNG
(CHEMBL4104970)
Show InChI InChI=1S/C13H9N5O/c14-5-8-6-16-12-10(8)11(17-13(15)18-12)7-1-3-9(19)4-2-7/h1-4,6,19H,(H3,15,16,17,18)
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1.60E+3n/an/an/an/an/an/an/an/a



Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde , 161 Cathedral Street, Glasgow G4 0NR, Scotland, United Kingdom.

Curated by ChEMBL




J Med Chem 60: 7043-7066 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00484
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase alpha/beta


(Homo sapiens (Human))
BDBM50257903
PNG
(CHEMBL4064103)
Show InChI InChI=1S/C9H10N6O/c10-3-5-4-13-8-6(5)7(12-1-2-16)14-9(11)15-8/h4,16H,1-2H2,(H4,11,12,13,14,15)
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1.60E+3n/an/an/an/an/an/an/an/a



Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde , 161 Cathedral Street, Glasgow G4 0NR, Scotland, United Kingdom.

Curated by ChEMBL




J Med Chem 60: 7043-7066 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00484
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase alpha/beta


(Homo sapiens (Human))
BDBM50257819
PNG
(CHEMBL4104076)
Show InChI InChI=1S/C13H9N5/c14-6-9-7-16-12-10(9)11(17-13(15)18-12)8-4-2-1-3-5-8/h1-5,7H,(H3,15,16,17,18)
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1.70E+3n/an/an/an/an/an/an/an/a



Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde , 161 Cathedral Street, Glasgow G4 0NR, Scotland, United Kingdom.

Curated by ChEMBL




J Med Chem 60: 7043-7066 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00484
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase alpha/beta


(Homo sapiens (Human))
BDBM50257824
PNG
(CHEMBL4074174)
Show InChI InChI=1S/C14H12N6O2S/c1-17-23(21,22)10-4-2-8(3-5-10)12-11-9(6-15)7-18-13(11)20-14(16)19-12/h2-5,7,17H,1H3,(H3,16,18,19,20)
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1.70E+3n/an/an/an/an/an/an/an/a



Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde , 161 Cathedral Street, Glasgow G4 0NR, Scotland, United Kingdom.

Curated by ChEMBL




J Med Chem 60: 7043-7066 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00484
More data for this
Ligand-Target Pair
Methylthioadenosine Nucleosidase(MTAN)


(Escherichia coli (strain K12))
BDBM50136928
PNG
(CHEMBL153833 | N-(7-Benzylamino-3-chloro-1H-indazo...)
Show SMILES Clc1n[nH]c2c(NCc3ccccc3)cc(NS(=O)(=O)c3ccc(Cl)cc3)cc12
Show InChI InChI=1S/C20H16Cl2N4O2S/c21-14-6-8-16(9-7-14)29(27,28)26-15-10-17-19(24-25-20(17)22)18(11-15)23-12-13-4-2-1-3-5-13/h1-11,23,26H,12H2,(H,24,25)
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1.80E+3n/an/an/an/an/an/an/an/a



Quorex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)


J Med Chem 46: 5663-73 (2003)


Article DOI: 10.1021/jm0302039
BindingDB Entry DOI: 10.7270/Q279443D
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase alpha/beta


(Homo sapiens (Human))
BDBM50257888
PNG
(CHEMBL4084097)
Show InChI InChI=1S/C13H16N6/c14-6-8-7-16-11-10(8)12(19-13(15)18-11)17-9-4-2-1-3-5-9/h7,9H,1-5H2,(H4,15,16,17,18,19)
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1.80E+3n/an/an/an/an/an/an/an/a



Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde , 161 Cathedral Street, Glasgow G4 0NR, Scotland, United Kingdom.

Curated by ChEMBL




J Med Chem 60: 7043-7066 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00484
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase alpha/beta


(Homo sapiens (Human))
BDBM50257816
PNG
(CHEMBL4059744)
Show InChI InChI=1/C13H16N6O/c14-5-7-6-16-11-10(7)12(19-13(15)18-11)17-8-1-3-9(20)4-2-8/h6,8-9,20H,1-4H2,(H4,15,16,17,18,19)/t8-,9-
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2.00E+3n/an/an/an/an/an/an/an/a



Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde , 161 Cathedral Street, Glasgow G4 0NR, Scotland, United Kingdom.

Curated by ChEMBL




J Med Chem 60: 7043-7066 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00484
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase alpha/beta


(Homo sapiens (Human))
BDBM50257885
PNG
(CHEMBL4066605)
Show InChI InChI=1S/C13H8FN5/c14-9-4-2-1-3-8(9)11-10-7(5-15)6-17-12(10)19-13(16)18-11/h1-4,6H,(H3,16,17,18,19)
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2.00E+3n/an/an/an/an/an/an/an/a



Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde , 161 Cathedral Street, Glasgow G4 0NR, Scotland, United Kingdom.

Curated by ChEMBL




J Med Chem 60: 7043-7066 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00484
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase alpha/beta


(Homo sapiens (Human))
BDBM50257886
PNG
(CHEMBL4088484)
Show InChI InChI=1S/C13H9N5O2S/c14-5-9-6-16-13-11(9)12(17-7-18-13)8-1-3-10(4-2-8)21(15,19)20/h1-4,6-7H,(H2,15,19,20)(H,16,17,18)
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2.10E+3n/an/an/an/an/an/an/an/a



Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde , 161 Cathedral Street, Glasgow G4 0NR, Scotland, United Kingdom.

Curated by ChEMBL




J Med Chem 60: 7043-7066 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00484
More data for this
Ligand-Target Pair
Methylthioadenosine Nucleosidase(MTAN)


(Escherichia coli (strain K12))
BDBM50136906
PNG
(4-Chloro-N-[3-chloro-7-(3-methyl-but-2-enylamino)-...)
Show SMILES CC(C)=CCNc1cc(NS(=O)(=O)c2ccc(Cl)cc2)cc2c(Cl)[nH]nc12 |(1.06,-.29,;2.39,.47,;2.39,2.01,;3.72,-.29,;5.05,.48,;6.39,-.29,;6.4,-1.83,;5.07,-2.6,;5.07,-4.15,;3.74,-4.92,;3.74,-6.46,;2.2,-6.46,;5.28,-6.46,;3.74,-8,;2.41,-8.77,;2.41,-10.31,;3.74,-11.08,;3.74,-12.62,;5.09,-10.31,;5.09,-8.77,;6.4,-4.91,;7.75,-4.14,;9.2,-4.6,;9.97,-5.93,;10.11,-3.37,;9.2,-2.11,;7.75,-2.6,)|
Show InChI InChI=1S/C18H18Cl2N4O2S/c1-11(2)7-8-21-16-10-13(9-15-17(16)22-23-18(15)20)24-27(25,26)14-5-3-12(19)4-6-14/h3-7,9-10,21,24H,8H2,1-2H3,(H,22,23)
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2.20E+3n/an/an/an/an/an/an/an/a



Quorex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)


J Med Chem 46: 5663-73 (2003)


Article DOI: 10.1021/jm0302039
BindingDB Entry DOI: 10.7270/Q279443D
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase alpha/beta


(Homo sapiens (Human))
BDBM50257822
PNG
(CHEMBL4088616)
Show InChI InChI=1S/C14H11N5O/c15-5-10-6-17-13-11(10)12(18-14(16)19-13)9-3-1-8(7-20)2-4-9/h1-4,6,20H,7H2,(H3,16,17,18,19)
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2.30E+3n/an/an/an/an/an/an/an/a



Strathclyde Institute of Pharmacy and Biomedical Sciences, University of Strathclyde , 161 Cathedral Street, Glasgow G4 0NR, Scotland, United Kingdom.

Curated by ChEMBL




J Med Chem 60: 7043-7066 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00484
More data for this
Ligand-Target Pair
Methylthioadenosine Nucleosidase(MTAN)


(Escherichia coli (strain K12))
BDBM50136941
PNG
(4-Chloro-N-(3-chloro-7-phenethylamino-1H-indazol-5...)
Show SMILES Clc1n[nH]c2c(NCCc3ccccc3)cc(NS(=O)(=O)c3ccc(Cl)cc3)cc12
Show InChI InChI=1S/C21H18Cl2N4O2S/c22-15-6-8-17(9-7-15)30(28,29)27-16-12-18-20(25-26-21(18)23)19(13-16)24-11-10-14-4-2-1-3-5-14/h1-9,12-13,24,27H,10-11H2,(H,25,26)
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2.30E+3n/an/an/an/an/an/an/an/a



Quorex Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli S-adenosyl homocysteine/methylthioadenosine nucleosidase (MTA/SAH nucleosidase)


J Med Chem 46: 5663-73 (2003)


Article DOI: 10.1021/jm0302039
BindingDB Entry DOI: 10.7270/Q279443D
More data for this
Ligand-Target Pair
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