Found 23 hits Enz. Inhib. hit(s) with Target = 'Cystathionine beta-lyase MetC' Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Cystathionine beta-lyase MetC
(Escherichia coli K-12) | BDBM50370860
(CHEMBL219268)Show InChI InChI=1S/C10H10F3N3O2/c11-10(12,13)7-4-2-1-3-6(7)9(18)15-5-8(17)16-14/h1-4H,5,14H2,(H,15,18)(H,16,17) | PDB MMDB
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| Article PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli CBL |
J Med Chem 50: 755-64 (2007)
Article DOI: 10.1021/jm061132r BindingDB Entry DOI: 10.7270/Q2KS6SCJ |
More data for this Ligand-Target Pair | |
Cystathionine beta-lyase MetC
(Escherichia coli K-12) | BDBM50370870
(CHEMBL218090)Show InChI InChI=1S/C11H9F6NO/c1-6-4-2-3-5-7(6)18-9(19)8(10(12,13)14)11(15,16)17/h2-5,8H,1H3,(H,18,19) | PDB MMDB
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| Article PubMed
| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli CBL |
J Med Chem 50: 755-64 (2007)
Article DOI: 10.1021/jm061132r BindingDB Entry DOI: 10.7270/Q2KS6SCJ |
More data for this Ligand-Target Pair | |
Cystathionine beta-lyase MetC
(Escherichia coli K-12) | BDBM50370869
(CHEMBL220764)Show SMILES [O-][N+](=O)c1ccc2c(c1)[c-](N=[OH+])c1cc(cc(C(=O)OCc3ccccc3Br)c21)[N+]([O-])=O Show InChI InChI=1S/C21H11BrN3O7/c22-18-4-2-1-3-11(18)10-32-21(26)17-9-13(25(30)31)8-16-19(17)14-6-5-12(24(28)29)7-15(14)20(16)23-27/h1-9H,10H2/q-1/p+1 | PDB MMDB
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| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 530 | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli CBL |
J Med Chem 50: 755-64 (2007)
Article DOI: 10.1021/jm061132r BindingDB Entry DOI: 10.7270/Q2KS6SCJ |
More data for this Ligand-Target Pair | |
Cystathionine beta-lyase MetC
(Escherichia coli K-12) | BDBM50370861
(CHEMBL221848)Show InChI InChI=1S/C10H10F3N3O3/c1-19-9-5(11)2-4(7(12)8(9)13)10(18)15-3-6(17)16-14/h2H,3,14H2,1H3,(H,15,18)(H,16,17) | PDB MMDB
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| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 650 | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli CBL |
J Med Chem 50: 755-64 (2007)
Article DOI: 10.1021/jm061132r BindingDB Entry DOI: 10.7270/Q2KS6SCJ |
More data for this Ligand-Target Pair | |
Cystathionine beta-lyase MetC
(Escherichia coli K-12) | BDBM50370865
(CHEMBL221706)Show InChI InChI=1S/C6H6Cl2N2O2S/c7-5-2-1-4(3-6(5)8)13(11,12)10-9/h1-3,10H,9H2 | PDB MMDB
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| Article PubMed
| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli CBL |
J Med Chem 50: 755-64 (2007)
Article DOI: 10.1021/jm061132r BindingDB Entry DOI: 10.7270/Q2KS6SCJ |
More data for this Ligand-Target Pair | |
Cystathionine beta-lyase MetC
(Escherichia coli K-12) | BDBM50370853
(CHEMBL221182)Show InChI InChI=1S/C7H10N2O2S/c1-6-2-4-7(5-3-6)12(10,11)9-8/h2-5,9H,8H2,1H3 | PDB MMDB
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| Article PubMed
| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli CBL |
J Med Chem 50: 755-64 (2007)
Article DOI: 10.1021/jm061132r BindingDB Entry DOI: 10.7270/Q2KS6SCJ |
More data for this Ligand-Target Pair | |
Cystathionine beta-lyase MetC
(Escherichia coli K-12) | BDBM50370850
(CHEMBL373750)Show SMILES Clc1ccc(cc1Cl)-c1cc(on1)C(=O)CSc1nccc(n1)-c1cccs1 Show InChI InChI=1S/C19H11Cl2N3O2S2/c20-12-4-3-11(8-13(12)21)15-9-17(26-24-15)16(25)10-28-19-22-6-5-14(23-19)18-2-1-7-27-18/h1-9H,10H2 | PDB MMDB
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| Article PubMed
| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli CBL |
J Med Chem 50: 755-64 (2007)
Article DOI: 10.1021/jm061132r BindingDB Entry DOI: 10.7270/Q2KS6SCJ |
More data for this Ligand-Target Pair | |
Cystathionine beta-lyase MetC
(Escherichia coli K-12) | BDBM50370867
(CHEMBL221705)Show InChI InChI=1S/C9H9N3O2S2/c10-12-16(13,14)9-5-4-8(15-9)7-3-1-2-6-11-7/h1-6,12H,10H2 | PDB MMDB
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| Article PubMed
| n/a | n/a | 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli CBL |
J Med Chem 50: 755-64 (2007)
Article DOI: 10.1021/jm061132r BindingDB Entry DOI: 10.7270/Q2KS6SCJ |
More data for this Ligand-Target Pair | |
Cystathionine beta-lyase MetC
(Escherichia coli K-12) | BDBM50370855
(CHEMBL218737)Show InChI InChI=1S/C9H10N4O4/c10-12-8(14)5-11-9(15)6-3-1-2-4-7(6)13(16)17/h1-4H,5,10H2,(H,11,15)(H,12,14) | PDB MMDB
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| n/a | n/a | 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli CBL |
J Med Chem 50: 755-64 (2007)
Article DOI: 10.1021/jm061132r BindingDB Entry DOI: 10.7270/Q2KS6SCJ |
More data for this Ligand-Target Pair | |
Cystathionine beta-lyase MetC
(Escherichia coli K-12) | BDBM50370857
(CHEMBL220531)Show SMILES NNC(=O)CNC(=O)c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O Show InChI InChI=1S/C9H9N5O6/c10-12-8(15)4-11-9(16)5-1-6(13(17)18)3-7(2-5)14(19)20/h1-3H,4,10H2,(H,11,16)(H,12,15) | PDB MMDB
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| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli CBL |
J Med Chem 50: 755-64 (2007)
Article DOI: 10.1021/jm061132r BindingDB Entry DOI: 10.7270/Q2KS6SCJ |
More data for this Ligand-Target Pair | |
Cystathionine beta-lyase MetC
(Escherichia coli K-12) | BDBM50370854
(CHEMBL220494)Show InChI InChI=1S/C10H11N3O2S/c11-9-5-1-4-8-7(9)3-2-6-10(8)16(14,15)13-12/h1-6,13H,11-12H2 | PDB MMDB
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| CHEMBL PC cid PC sid UniChem
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| Article PubMed
| n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli CBL |
J Med Chem 50: 755-64 (2007)
Article DOI: 10.1021/jm061132r BindingDB Entry DOI: 10.7270/Q2KS6SCJ |
More data for this Ligand-Target Pair | |
Cystathionine beta-lyase MetC
(Escherichia coli K-12) | BDBM50370864
(CHEMBL451558)Show InChI InChI=1S/C4H5ClN2O2S2/c5-3-1-2-4(10-3)11(8,9)7-6/h1-2,7H,6H2 | PDB MMDB
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CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 6.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli CBL |
J Med Chem 50: 755-64 (2007)
Article DOI: 10.1021/jm061132r BindingDB Entry DOI: 10.7270/Q2KS6SCJ |
More data for this Ligand-Target Pair | |
Cystathionine beta-lyase MetC
(Escherichia coli K-12) | BDBM50370856
(CHEMBL376005)Show SMILES [#8-]-[#7+](=O)-c1cc(cc2\[#6](=[#6](/C#N)C#N)-c3cc(cc(c3-c12)-[#7+](-[#8-])=O)S(=O)(=O)[#8]-c1ccccc1)S(=O)(=O)[#8]-c1ccccc1 Show InChI InChI=1S/C28H14N4O10S2/c29-15-17(16-30)26-22-11-20(43(37,38)41-18-7-3-1-4-8-18)13-24(31(33)34)27(22)28-23(26)12-21(14-25(28)32(35)36)44(39,40)42-19-9-5-2-6-10-19/h1-14H | PDB MMDB
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| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli CBL |
J Med Chem 50: 755-64 (2007)
Article DOI: 10.1021/jm061132r BindingDB Entry DOI: 10.7270/Q2KS6SCJ |
More data for this Ligand-Target Pair | |
Cystathionine beta-lyase MetC
(Escherichia coli K-12) | BDBM50370866
(CHEMBL219582)Show InChI InChI=1S/C10H10F3N3O2/c11-10(12,13)7-3-1-6(2-4-7)9(18)15-5-8(17)16-14/h1-4H,5,14H2,(H,15,18)(H,16,17) | PDB MMDB
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| CHEMBL PC cid PC sid UniChem
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| Article PubMed
| n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli CBL |
J Med Chem 50: 755-64 (2007)
Article DOI: 10.1021/jm061132r BindingDB Entry DOI: 10.7270/Q2KS6SCJ |
More data for this Ligand-Target Pair | |
Cystathionine beta-lyase MetC
(Escherichia coli K-12) | BDBM50370848
(CHEMBL218058)Show SMILES Cc1ccc2nc(sc2c1)-c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C21H16ClN3OS/c1-13-2-11-18-19(12-13)27-20(25-18)14-3-7-16(8-4-14)23-21(26)24-17-9-5-15(22)6-10-17/h2-12H,1H3,(H2,23,24,26) | PDB MMDB
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| Article PubMed
| n/a | n/a | 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli CBL |
J Med Chem 50: 755-64 (2007)
Article DOI: 10.1021/jm061132r BindingDB Entry DOI: 10.7270/Q2KS6SCJ |
More data for this Ligand-Target Pair | |
Cystathionine beta-lyase MetC
(Escherichia coli K-12) | BDBM50370858
(CHEMBL220530)Show InChI InChI=1S/C9H10N4O4/c10-12-8(14)5-11-9(15)6-1-3-7(4-2-6)13(16)17/h1-4H,5,10H2,(H,11,15)(H,12,14) | PDB MMDB
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CHEMBL PC cid PC sid UniChem
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| n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli CBL |
J Med Chem 50: 755-64 (2007)
Article DOI: 10.1021/jm061132r BindingDB Entry DOI: 10.7270/Q2KS6SCJ |
More data for this Ligand-Target Pair | |
Cystathionine beta-lyase MetC
(Escherichia coli K-12) | BDBM50370859
(CHEMBL383877)Show InChI InChI=1S/C9H13N3O3S/c1-7(13)11-6-8-2-4-9(5-3-8)16(14,15)12-10/h2-5,12H,6,10H2,1H3,(H,11,13) | PDB MMDB
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CHEMBL PC cid PC sid UniChem
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| Article PubMed
| n/a | n/a | 3.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli CBL |
J Med Chem 50: 755-64 (2007)
Article DOI: 10.1021/jm061132r BindingDB Entry DOI: 10.7270/Q2KS6SCJ |
More data for this Ligand-Target Pair | |
Cystathionine beta-lyase MetC
(Escherichia coli K-12) | BDBM50370852
(CHEMBL219322)Show InChI InChI=1S/C10H10F3N3O2/c11-10(12,13)7-3-1-2-6(4-7)9(18)15-5-8(17)16-14/h1-4H,5,14H2,(H,15,18)(H,16,17) | PDB MMDB
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| CHEMBL PC cid PC sid UniChem
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| Article PubMed
| n/a | n/a | 3.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli CBL |
J Med Chem 50: 755-64 (2007)
Article DOI: 10.1021/jm061132r BindingDB Entry DOI: 10.7270/Q2KS6SCJ |
More data for this Ligand-Target Pair | |
Cystathionine beta-lyase MetC
(Escherichia coli K-12) | BDBM50370851
(CHEMBL375564)Show InChI InChI=1S/C11H15N3O4/c1-17-7-4-3-5-8(18-2)10(7)11(16)13-6-9(15)14-12/h3-5H,6,12H2,1-2H3,(H,13,16)(H,14,15) | PDB MMDB
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| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli CBL |
J Med Chem 50: 755-64 (2007)
Article DOI: 10.1021/jm061132r BindingDB Entry DOI: 10.7270/Q2KS6SCJ |
More data for this Ligand-Target Pair | |
Cystathionine beta-lyase MetC
(Escherichia coli K-12) | BDBM50370863
(CHEMBL222116)Show InChI InChI=1S/C9H13N5O2/c10-6-1-5(2-7(11)3-6)9(16)13-4-8(15)14-12/h1-3H,4,10-12H2,(H,13,16)(H,14,15) | PDB MMDB
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| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 8.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli CBL |
J Med Chem 50: 755-64 (2007)
Article DOI: 10.1021/jm061132r BindingDB Entry DOI: 10.7270/Q2KS6SCJ |
More data for this Ligand-Target Pair | |
Cystathionine beta-lyase MetC
(Escherichia coli K-12) | BDBM50370868
(CHEMBL218485)Show SMILES Cc1ccc2nc(sc2c1)-c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C21H15ClN2OS/c1-13-2-11-18-19(12-13)26-21(24-18)15-5-9-17(10-6-15)23-20(25)14-3-7-16(22)8-4-14/h2-12H,1H3,(H,23,25) | PDB MMDB
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CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli CBL |
J Med Chem 50: 755-64 (2007)
Article DOI: 10.1021/jm061132r BindingDB Entry DOI: 10.7270/Q2KS6SCJ |
More data for this Ligand-Target Pair | |
Cystathionine beta-lyase MetC
(Escherichia coli K-12) | BDBM50370849
(CHEMBL385118)Show InChI InChI=1S/C14H15N3O2/c15-17-14(19)9-16-13(18)8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8-9,15H2,(H,16,18)(H,17,19) | PDB MMDB
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| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli CBL |
J Med Chem 50: 755-64 (2007)
Article DOI: 10.1021/jm061132r BindingDB Entry DOI: 10.7270/Q2KS6SCJ |
More data for this Ligand-Target Pair | |
Cystathionine beta-lyase MetC
(Escherichia coli K-12) | BDBM50370862
(CHEMBL221962)Show InChI InChI=1S/C13H14N4O2/c14-11-6-9-4-2-1-3-8(9)5-10(11)13(19)16-7-12(18)17-15/h1-6H,7,14-15H2,(H,16,19)(H,17,18) | PDB MMDB
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UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.60E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
McMaster University
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli CBL |
J Med Chem 50: 755-64 (2007)
Article DOI: 10.1021/jm061132r BindingDB Entry DOI: 10.7270/Q2KS6SCJ |
More data for this Ligand-Target Pair | |