BDBM29210 casimiroin
SMILES: COc1cc(=O)n(C)c2c3OCOc3ccc12
InChI Key: InChIKey=DPXXJCMMMXZVSW-UHFFFAOYSA-N
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 |
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Cytochrome P450 19A1 (Homo sapiens (Human)) | BDBM29210 (casimiroin) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem | Article PubMed | n/a | n/a | 3.92E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University | Assay Description Aromatase inhibition was quantified by measuring the fluorescent intensity of fluorescein, the hydrolysis product of dibenzylfluorescein (DBF), by ar... | J Med Chem 52: 1873-84 (2009) Article DOI: 10.1021/jm801335z BindingDB Entry DOI: 10.7270/Q2NP22RV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human)) | BDBM29210 (casimiroin) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase DrugBank KEGG MMDB PC cid PC sid PDB UniChem | MMDB PDB Article PubMed | n/a | n/a | 5.41E+4 | n/a | n/a | n/a | n/a | 7.5 | 23 |
Purdue University | Assay Description The activity of QR2 under steady-state conditions was evaluated on SpectraMax Plus 384 UV/vis spectrophotometer by monitoring the increase in absorba... | J Med Chem 52: 1873-84 (2009) Article DOI: 10.1021/jm801335z BindingDB Entry DOI: 10.7270/Q2NP22RV | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |