BDBM50274474 2-(3,7-dimethyl-9-((1S,4aS,8aS)-2,5,5,8a-tetramethyl-1,4,4a,5,6,7,8,8a-octahydronaphthalen-1-yl)nona-2,7-dienyl)benzene-1,4-diol::CHEMBL484372
SMILES: C\C(CCC\C(C)=C\Cc1cc(O)ccc1O)=C/C[C@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@]12C
InChI Key: InChIKey=FBBXOWQBMFRXRO-PGGDNBTOSA-N
Data: 3 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sortase A (SrtA) (Staphylococcus aureus) | BDBM50274474 (2-(3,7-dimethyl-9-((1S,4aS,8aS)-2,5,5,8a-tetrameth...) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University Curated by ChEMBL | Assay Description Inhibition of recombinant Staphylococcus aureus ATCC 6538p sortase lacking the N-terminal membrane anchor domain expressed in Escherichia coli cells ... | J Nat Prod 74: 1805-11 (2011) Article DOI: 10.1021/np200492k BindingDB Entry DOI: 10.7270/Q2C53M7G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Isocitrate lyase (Candida albicans) | BDBM50274474 (2-(3,7-dimethyl-9-((1S,4aS,8aS)-2,5,5,8a-tetrameth...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 7.68E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University Curated by ChEMBL | Assay Description Inhibition of candida albicans isocitrate lyase | Bioorg Med Chem Lett 18: 5377-80 (2008) Article DOI: 10.1016/j.bmcl.2008.09.059 BindingDB Entry DOI: 10.7270/Q2BV7HKT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Isocitrate lyase (Candida albicans) | BDBM50274474 (2-(3,7-dimethyl-9-((1S,4aS,8aS)-2,5,5,8a-tetrameth...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University Curated by ChEMBL | Assay Description Inhibition of Candida albicans isocitrate lyase | J Nat Prod 74: 1805-11 (2011) Article DOI: 10.1021/np200492k BindingDB Entry DOI: 10.7270/Q2C53M7G | |||||||||||
More data for this Ligand-Target Pair |