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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
4-hydroxy-3-methylbut-2-enyl diphosphate reductase (Aquifex aeolicus) | BDBM50487150 (BUT-3-YNYL DIPHOSPHATE) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | KEGG PC cid PC sid PDB UniChem | Article PubMed | 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Urbana-Champaign Curated by ChEMBL | Assay Description Inhibition of Aquifex aeolicus IspH expressed in Escherichia coli BL21 (DE3) using HMBPP substrate | J Am Chem Soc 132: 6719-27 (2010) Article DOI: 10.1021/ja909664j BindingDB Entry DOI: 10.7270/Q2474DQ5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
4-hydroxy-3-methylbut-2-enyl diphosphate reductase (Pseudomonas aeruginosa) | BDBM228817 (IspH inhibitor, 8) | UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois | Assay Description In order to find new inhibitors, we carried out in silico screening of AaIspH and EcIspH using ZINC and National Cancer Institute (NCI) libraries and... | Chembiochem 18: 914-920 (2017) Article DOI: 10.1002/cbic.201700052 BindingDB Entry DOI: 10.7270/Q27S7MNB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
4-hydroxy-3-methylbut-2-enyl diphosphate reductase (Aquifex aeolicus) | BDBM228818 (8-Amino-3-benzyl-2,3,4,4 a-tetrahydro-1,2'H,6H...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | Article PubMed | 700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois | Assay Description In order to find new inhibitors, we carried out in silico screening of AaIspH and EcIspH using ZINC and National Cancer Institute (NCI) libraries and... | Chembiochem 18: 914-920 (2017) Article DOI: 10.1002/cbic.201700052 BindingDB Entry DOI: 10.7270/Q27S7MNB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
4-hydroxy-3-methylbut-2-enyl diphosphate reductase (Aquifex aeolicus) | BDBM50487149 (PYRIDIN-3-YL-ETHYL-DIPHOSPHATE) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | KEGG PC cid PC sid UniChem | Article PubMed | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Urbana-Champaign Curated by ChEMBL | Assay Description Inhibition of Aquifex aeolicus IspH expressed in Escherichia coli BL21 (DE3) using HMBPP substrate | J Am Chem Soc 132: 6719-27 (2010) Article DOI: 10.1021/ja909664j BindingDB Entry DOI: 10.7270/Q2474DQ5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
4-hydroxy-3-methylbut-2-enyl diphosphate reductase (Escherichia coli (Enterobacteria)) | BDBM228818 (8-Amino-3-benzyl-2,3,4,4 a-tetrahydro-1,2'H,6H...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | Article PubMed | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois | Assay Description In order to find new inhibitors, we carried out in silico screening of AaIspH and EcIspH using ZINC and National Cancer Institute (NCI) libraries and... | Chembiochem 18: 914-920 (2017) Article DOI: 10.1002/cbic.201700052 BindingDB Entry DOI: 10.7270/Q27S7MNB | |||||||||||
More data for this Ligand-Target Pair |