BDBM50139802 (2R,4R)-2-Methoxy-2-methyl-4-phenyl-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromen-5-one::CHEMBL352395
SMILES: CO[C@@]1(C)C[C@@H](c2ccccc2)c2c(O1)c1ccccc1oc2=O
InChI Key: InChIKey=ZGFASEKBKWVCGP-MGPUTAFESA-N
Data: 2 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50139802 ((2R,4R)-2-Methoxy-2-methyl-4-phenyl-3,4,4a,10b-tet...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University Curated by ChEMBL | Assay Description Binding affinity was measured on Cytochrome P450 2C9 | J Med Chem 43: 2789-96 (2000) BindingDB Entry DOI: 10.7270/Q2K64H9Q | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50139802 ((2R,4R)-2-Methoxy-2-methyl-4-phenyl-3,4,4a,10b-tet...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca R&D Curated by ChEMBL | Assay Description Binding affinity towards cytochrome P450 2C9 | J Med Chem 47: 907-14 (2004) Article DOI: 10.1021/jm030972s BindingDB Entry DOI: 10.7270/Q2ZK5HF3 | |||||||||||
More data for this Ligand-Target Pair |