BDBM50330315 (3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-3-propylbenzamido)-8-methyl-2-oxo-2H-chromen-7-yloxy)-3-methoxy-2,2-dimethyltetrahydro-2H-pyran-4-yl 5-methyl-1H-pyrrole-2-carboxylate::CHEMBL1275843
SMILES: CCCc1cc(ccc1O)C(=O)Nc1c(O)c2ccc(O[C@@H]3OC(C)(C)[C@H](OC)[C@@H](OC(=O)c4ccc(C)[nH]4)[C@H]3O)c(C)c2oc1=O
InChI Key: InChIKey=BSULDEYEQDESSB-ZQZBKPNISA-N
Data: 2 IC50
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
DNA Gyrase Subunit B (Escherichia coli (strain K12)) | BDBM50330315 ((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Tübingen Curated by ChEMBL | Assay Description Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as DNA triple helix formation by supercoiling assay | Antimicrob Agents Chemother 52: 1982-90 (2008) Article DOI: 10.1128/AAC.01235-07 BindingDB Entry DOI: 10.7270/Q2PG1S0J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNA Gyrase Subunit B (Escherichia coli (strain K12)) | BDBM50330315 ((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 84 | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Tübingen Curated by ChEMBL | Assay Description Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as ATP hydrolysis by ATPase assay | Antimicrob Agents Chemother 52: 1982-90 (2008) Article DOI: 10.1128/AAC.01235-07 BindingDB Entry DOI: 10.7270/Q2PG1S0J | |||||||||||
More data for this Ligand-Target Pair |