BDBM50089556 5-[Benzyl-((E)-6,6-dimethyl-hept-2-en-4-ynyl)-amino]-3,4-dihydro-1H-quinolin-2-one::CHEMBL287110
SMILES: CC(C)(C)C#C\C=C\CN(Cc1ccccc1)c1cccc2NC(=O)CCc12
InChI Key: InChIKey=FVAXDXPISQRVFR-WEVVVXLNSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Chitin synthase 3 (Candida albicans) | BDBM50089556 (5-[Benzyl-((E)-6,6-dimethyl-hept-2-en-4-ynyl)-amin...) | MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | 1.45E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of Candida albicans chitin synthase | Citation and Details Article DOI: 10.1007/s00044-012-0177-9 BindingDB Entry DOI: 10.7270/Q21N8422 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Chitin synthase (Candida albicans) | BDBM50089556 (5-[Benzyl-((E)-6,6-dimethyl-hept-2-en-4-ynyl)-amin...) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Nippon Roche Research Center Curated by ChEMBL | Assay Description Inhibitory of Candida albicans chitin synthase 1 | Bioorg Med Chem Lett 10: 1459-62 (2000) BindingDB Entry DOI: 10.7270/Q2R210MK | |||||||||||
More data for this Ligand-Target Pair |