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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Mycocyclosin synthase (Mycobacterium tuberculosis) | BDBM31774 (CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 73 | n/a | n/a | n/a | n/a | n/a |
University of Cambridge Curated by ChEMBL | Assay Description Binding affinity to Mycobacterium tuberculosis H37Rv wild type CYP121 by titration assay | J Med Chem 59: 3272-302 (2016) Article DOI: 10.1021/acs.jmedchem.6b00007 BindingDB Entry DOI: 10.7270/Q2MS3VN4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mycocyclosin synthase (Mycobacterium tuberculosis) | BDBM50505740 (CHEBI:71611 | CHEMBL191426) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | n/a | 8.08E+4 | n/a | n/a | n/a | n/a | n/a |
University of Melbourne Curated by ChEMBL | Assay Description Binding affinity to Mycobacterium tuberculosis CYP121 expressed in Escherichia coli HMS174 (DE3) by UV-visible scanning spectrophotometric analysis | J Med Chem 62: 9792-9805 (2019) Article DOI: 10.1021/acs.jmedchem.9b01199 BindingDB Entry DOI: 10.7270/Q2BK1GPQ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Mycocyclosin synthase (Mycobacterium tuberculosis) | BDBM31772 (1-[2-(2,4-dichlorobenzyl)oxy-2-(2,4-dichlorophenyl...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 73 | n/a | n/a | n/a | n/a | n/a |
University of Cambridge Curated by ChEMBL | Assay Description Binding affinity to Mycobacterium tuberculosis H37Rv wild type CYP121 by titration assay | J Med Chem 59: 3272-302 (2016) Article DOI: 10.1021/acs.jmedchem.6b00007 BindingDB Entry DOI: 10.7270/Q2MS3VN4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mycocyclosin synthase (Mycobacterium tuberculosis) | BDBM25817 (2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a |
Swansea University Curated by ChEMBL | Assay Description Binding affinity to Mycobacterium tuberculosis CYP121 | Antimicrob Agents Chemother 53: 1157-64 (2009) Article DOI: 10.1128/AAC.01237-08 BindingDB Entry DOI: 10.7270/Q22V2GCB | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Mycocyclosin synthase (Mycobacterium tuberculosis) | BDBM50505724 (CHEMBL4556539) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | 2.94E+4 | n/a | n/a | n/a | n/a | n/a |
University of Melbourne Curated by ChEMBL | Assay Description Binding affinity to Mycobacterium tuberculosis CYP121 expressed in Escherichia coli HMS174 (DE3) by UV-visible scanning spectrophotometric analysis | J Med Chem 62: 9792-9805 (2019) Article DOI: 10.1021/acs.jmedchem.9b01199 BindingDB Entry DOI: 10.7270/Q2BK1GPQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mycocyclosin synthase (Mycobacterium tuberculosis) | BDBM50505725 (CHEMBL4449188) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | n/a | 1.51E+4 | n/a | n/a | n/a | n/a | n/a |
University of Melbourne Curated by ChEMBL | Assay Description Binding affinity to Mycobacterium tuberculosis His6-tagged CYP121 by UV-visible scanning spectrophotometric analysis | J Med Chem 62: 9792-9805 (2019) Article DOI: 10.1021/acs.jmedchem.9b01199 BindingDB Entry DOI: 10.7270/Q2BK1GPQ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Mycocyclosin synthase (Mycobacterium tuberculosis) | BDBM50505726 (CHEBI:71610 | CHEMBL126124) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase MCE PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a |
University of Melbourne Curated by ChEMBL | Assay Description Binding affinity to Mycobacterium tuberculosis CYP121 expressed in Escherichia coli HMS174 (DE3) by UV-visible scanning spectrophotometric analysis | J Med Chem 62: 9792-9805 (2019) Article DOI: 10.1021/acs.jmedchem.9b01199 BindingDB Entry DOI: 10.7270/Q2BK1GPQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mycocyclosin synthase (Mycobacterium tuberculosis) | BDBM50505727 (CHEMBL4447064) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | n/a | 1.04E+4 | n/a | n/a | n/a | n/a | n/a |
University of Melbourne Curated by ChEMBL | Assay Description Binding affinity to Mycobacterium tuberculosis CYP121 expressed in Escherichia coli HMS174 (DE3) by UV-visible scanning spectrophotometric analysis | J Med Chem 62: 9792-9805 (2019) Article DOI: 10.1021/acs.jmedchem.9b01199 BindingDB Entry DOI: 10.7270/Q2BK1GPQ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Mycocyclosin synthase (Mycobacterium tuberculosis) | BDBM50505728 (CHEMBL4537292) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | 6.30E+3 | n/a | n/a | n/a | n/a | n/a |
University of Melbourne Curated by ChEMBL | Assay Description Binding affinity to Mycobacterium tuberculosis CYP121 expressed in Escherichia coli HMS174 (DE3) by UV-visible scanning spectrophotometric analysis | J Med Chem 62: 9792-9805 (2019) Article DOI: 10.1021/acs.jmedchem.9b01199 BindingDB Entry DOI: 10.7270/Q2BK1GPQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mycocyclosin synthase (Mycobacterium tuberculosis) | BDBM50505729 (CHEMBL4467901) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | 450 | n/a | n/a | n/a | n/a | n/a |
University of Melbourne Curated by ChEMBL | Assay Description Binding affinity to Mycobacterium tuberculosis CYP121 expressed in Escherichia coli HMS174 (DE3) by UV-visible scanning spectrophotometric analysis | J Med Chem 62: 9792-9805 (2019) Article DOI: 10.1021/acs.jmedchem.9b01199 BindingDB Entry DOI: 10.7270/Q2BK1GPQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mycocyclosin synthase (Mycobacterium tuberculosis) | BDBM50505730 (CHEMBL4592778) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | 9.10E+3 | n/a | n/a | n/a | n/a | n/a |
University of Melbourne Curated by ChEMBL | Assay Description Binding affinity to Mycobacterium tuberculosis His6-tagged CYP121 by UV-visible scanning spectrophotometric analysis | J Med Chem 62: 9792-9805 (2019) Article DOI: 10.1021/acs.jmedchem.9b01199 BindingDB Entry DOI: 10.7270/Q2BK1GPQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mycocyclosin synthase (Mycobacterium tuberculosis) | BDBM50505731 (CHEMBL4475027) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | n/a | 1.28E+4 | n/a | n/a | n/a | n/a | n/a |
University of Melbourne Curated by ChEMBL | Assay Description Binding affinity to Mycobacterium tuberculosis His6-tagged CYP121 by UV-visible scanning spectrophotometric analysis | J Med Chem 62: 9792-9805 (2019) Article DOI: 10.1021/acs.jmedchem.9b01199 BindingDB Entry DOI: 10.7270/Q2BK1GPQ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Mycocyclosin synthase (Mycobacterium tuberculosis) | BDBM50505732 (CHEMBL4475712) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a |
University of Melbourne Curated by ChEMBL | Assay Description Binding affinity to Mycobacterium tuberculosis His6-tagged CYP121 by UV-visible scanning spectrophotometric analysis | J Med Chem 62: 9792-9805 (2019) Article DOI: 10.1021/acs.jmedchem.9b01199 BindingDB Entry DOI: 10.7270/Q2BK1GPQ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Mycocyclosin synthase (Mycobacterium tuberculosis) | BDBM50505733 (CHEMBL4457675) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | n/a | 3.98E+4 | n/a | n/a | n/a | n/a | n/a |
University of Melbourne Curated by ChEMBL | Assay Description Binding affinity to Mycobacterium tuberculosis His6-tagged CYP121 by UV-visible scanning spectrophotometric analysis | J Med Chem 62: 9792-9805 (2019) Article DOI: 10.1021/acs.jmedchem.9b01199 BindingDB Entry DOI: 10.7270/Q2BK1GPQ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Mycocyclosin synthase (Mycobacterium tuberculosis) | BDBM50505734 (CHEBI:65063 | CHEMBL189558 | Cyclo(-Trp-Tyr)) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | n/a |
University of Melbourne Curated by ChEMBL | Assay Description Binding affinity to Mycobacterium tuberculosis CYP121 expressed in Escherichia coli HMS174 (DE3) by UV-visible scanning spectrophotometric analysis | J Med Chem 62: 9792-9805 (2019) Article DOI: 10.1021/acs.jmedchem.9b01199 BindingDB Entry DOI: 10.7270/Q2BK1GPQ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Mycocyclosin synthase (Mycobacterium tuberculosis) | BDBM50505735 (CHEMBL4437128) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | n/a | n/a | n/a | 720 | n/a | n/a | n/a | n/a | n/a |
University of Melbourne Curated by ChEMBL | Assay Description Binding affinity to Mycobacterium tuberculosis CYP121 expressed in Escherichia coli HMS174 (DE3) by UV-visible scanning spectrophotometric analysis | J Med Chem 62: 9792-9805 (2019) Article DOI: 10.1021/acs.jmedchem.9b01199 BindingDB Entry DOI: 10.7270/Q2BK1GPQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mycocyclosin synthase (Mycobacterium tuberculosis) | BDBM50505736 (CHEMBL4545848) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a |
University of Melbourne Curated by ChEMBL | Assay Description Binding affinity to Mycobacterium tuberculosis His6-tagged CYP121 by UV-visible scanning spectrophotometric analysis | J Med Chem 62: 9792-9805 (2019) Article DOI: 10.1021/acs.jmedchem.9b01199 BindingDB Entry DOI: 10.7270/Q2BK1GPQ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Mycocyclosin synthase (Mycobacterium tuberculosis) | BDBM50505737 (CHEMBL4437078) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a |
University of Melbourne Curated by ChEMBL | Assay Description Binding affinity to Mycobacterium tuberculosis His6-tagged CYP121 by UV-visible scanning spectrophotometric analysis | J Med Chem 62: 9792-9805 (2019) Article DOI: 10.1021/acs.jmedchem.9b01199 BindingDB Entry DOI: 10.7270/Q2BK1GPQ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Mycocyclosin synthase (Mycobacterium tuberculosis) | BDBM50505738 (CHEMBL4565125) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | n/a | 460 | n/a | n/a | n/a | n/a | n/a |
University of Melbourne Curated by ChEMBL | Assay Description Binding affinity to Mycobacterium tuberculosis His6-tagged CYP121 by UV-visible scanning spectrophotometric analysis | J Med Chem 62: 9792-9805 (2019) Article DOI: 10.1021/acs.jmedchem.9b01199 BindingDB Entry DOI: 10.7270/Q2BK1GPQ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Mycocyclosin synthase (Mycobacterium tuberculosis) | BDBM50505739 (CHEMBL4471315) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a |
University of Melbourne Curated by ChEMBL | Assay Description Binding affinity to Mycobacterium tuberculosis His6-tagged CYP121 by UV-visible scanning spectrophotometric analysis | J Med Chem 62: 9792-9805 (2019) Article DOI: 10.1021/acs.jmedchem.9b01199 BindingDB Entry DOI: 10.7270/Q2BK1GPQ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Mycocyclosin synthase (Mycobacterium tuberculosis) | BDBM31773 (ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | n/a | 73 | n/a | n/a | n/a | n/a | n/a |
University of Cambridge Curated by ChEMBL | Assay Description Binding affinity to Mycobacterium tuberculosis H37Rv wild type CYP121 by titration assay | J Med Chem 59: 3272-302 (2016) Article DOI: 10.1021/acs.jmedchem.6b00007 BindingDB Entry DOI: 10.7270/Q2MS3VN4 | |||||||||||
More data for this Ligand-Target Pair |