null

SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)C#C

InChI Key InChIKey=BFPYWIDHMRZLRN-SLHNCBLASA-N

PDB links: 3 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50187243   

TargetCytochrome P450 2B6(Homo sapiens (Human))
F. Hoffmann-La Roche Ltd.

Curated by ChEMBL
LigandPNGBDBM50187243(17-ethinyl-3,17-estradiol | 17-ethinyl-3,17-oestra...)copy SMILEScopy InChI
Affinity DataKi:  800nMAssay Description:Mechanism based inhibition of human cytochrome P450 2B6 measured by 7-EFC O-deethylationMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2VQ33X3PubMed
TargetCytochrome P450 2B6(Homo sapiens (Human))
F. Hoffmann-La Roche Ltd.

Curated by ChEMBL
LigandPNGBDBM50187243(17-ethinyl-3,17-estradiol | 17-ethinyl-3,17-oestra...)copy SMILEScopy InChI
Affinity DataKi:  900nMAssay Description:Mechanism based inhibition of human cytochrome P450 2B6 measured by 7-EFC O-deethylationMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2VQ33X3PubMed
TargetCytochrome P450 2B1(Rattus norvegicus)
F. Hoffmann-La Roche Ltd.

Curated by ChEMBL
LigandPNGBDBM50187243(17-ethinyl-3,17-estradiol | 17-ethinyl-3,17-oestra...)copy SMILEScopy InChI
Affinity DataKi:  1.10E+4nMAssay Description:Mechanism based inhibition of rat cytochrome P450 2B1More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2VQ33X3PubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
F. Hoffmann-La Roche Ltd.

Curated by ChEMBL
LigandPNGBDBM50187243(17-ethinyl-3,17-estradiol | 17-ethinyl-3,17-oestra...)copy SMILEScopy InChI
Affinity DataKi:  1.80E+4nMAssay Description:Mechanism based inhibition of human cytochrome P450 3A4 measured by testosterone 6-beta hydroxylationMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2VQ33X3PubMedDrugBank