BDBM50101991 CHEBI:6750::CHEMBL3526658

SMILES C[C@@H]1CCc2c(C)coc2C1

InChI Key InChIKey=YGWKXXYGDYYFJU-SSDOTTSWSA-N

Data  2 KI  2 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50101991   

TargetCytochrome P450 2A6(Homo sapiens (Human))
University Of Kansas

Curated by ChEMBL
LigandPNGBDBM50101991(CHEBI:6750 | CHEMBL3526658)
Affinity DataKi:  2.00E+3nMAssay Description:Mixed inhibition of CYP2A6 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2A13(Homo sapiens (Human))
University Of Kansas

Curated by ChEMBL
LigandPNGBDBM50101991(CHEBI:6750 | CHEMBL3526658)
Affinity DataKi:  5.40E+4nMAssay Description:Mixed inhibition of CYP2A13 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2A13(Homo sapiens (Human))
University Of Kansas

Curated by ChEMBL
LigandPNGBDBM50101991(CHEBI:6750 | CHEMBL3526658)
Affinity DataKd:  580nMAssay Description:Binding affinity to CYP2A13 (unknown origin) assessed as type 1 interaction as increase in absorbance 379 to 387 nm and decrease in 414 to 420 nmMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))
University Of Kansas

Curated by ChEMBL
LigandPNGBDBM50101991(CHEBI:6750 | CHEMBL3526658)
Affinity DataKd:  4.50E+3nMAssay Description:Binding affinity to CYP2A6 (unknown origin) assessed as type 1 interaction as increase in absorbance 379 to 387 nm and decrease in 414 to 420 nmMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed