BDBM50280476 (2R,6aS,12aS)-2-Isopropyl-8,9-dimethoxy-6a-methyl-1,2,12,12a-tetrahydro-6aH-chromeno[3,4-b]furo[2,3-h]chromen-6-one::CHEMBL154388
SMILES: COc1cc2OC[C@H]3Oc4c5C[C@@H](Oc5ccc4C(=O)[C@@]3(C)c2cc1OC)C(C)C
InChI Key: InChIKey=LHVZXPIPXSDPAX-JKHABCDFSA-N
Data: 1 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Mitochondrial complex I (NADH dehydrogenase) (Homo sapiens (Human)) | BDBM50280476 ((2R,6aS,12aS)-2-Isopropyl-8,9-dimethoxy-6a-methyl-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description The compound was evaluated for the inhibition of NADH dehydrogenase | Bioorg Med Chem Lett 2: 593-596 (1992) Article DOI: 10.1016/S0960-894X(01)81204-X BindingDB Entry DOI: 10.7270/Q2H70G9H | |||||||||||
More data for this Ligand-Target Pair |