BDBM13775 (1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one::11beta,17alpha,21-Trihydroxy-4-pregnene-3,20-dione::3H-cortisol::HYDROCORTISONE::US10188667, Example 00023::[3H]cortisol::cortisol

SMILES [H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C

InChI Key InChIKey=JYGXADMDTFJGBT-VWUMJDOOSA-N

Data  3 KI  11 IC50  3 Kd  4 EC50

PDB links: 12 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
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 13775   

TargetBile salt export pump(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM13775((1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-...)
Affinity DataIC50:  2.52E+5nMAssay Description:Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed