BDBM29216 casimiroin analogue, 1e

SMILES COc1cccc2c(C)cc(=O)[nH]c12

InChI Key InChIKey=WHZDFFGNQINQSU-UHFFFAOYSA-N

Data  2 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 29216   

TargetAromatase(Homo sapiens (Human))
Purdue University

LigandBDBM29216(casimiroin analogue, 1e)Copy SMILESCopy InChI

Affinity DataIC50: >1.06E+5nMAssay Description:Aromatase inhibition was quantified by measuring the fluorescent intensity of fluorescein, the hydrolysis product of dibenzylfluorescein (DBF), by ar...More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPurchaseMMDBPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMed
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TargetRibosyldihydronicotinamide dehydrogenase [quinone](Homo sapiens (Human))
Purdue University

LigandBDBM29216(casimiroin analogue, 1e)Copy SMILESCopy InChI

Affinity DataIC50:  2.41E+4nMpH: 7.5 T: 2°CAssay Description:The activity of QR2 under steady-state conditions was evaluated on SpectraMax Plus 384 UV/vis spectrophotometer by monitoring the increase in absorba...More data for this Ligand-Target Pair

Target InfoPDBMMDBReactome pathwayKEGG
UniProtKB/SwissProt
B.MOADDrugBankantibodypediaGoogleScholar

Ligand InfoPurchaseMMDBPC cidPC sidPDBPatentsSimilars

In DepthDetails ArticlePubMedPDB3D Structure (crystal)
Copy BDB DOI