BDBM8582 (1S,2R,10S,11S,14S,15S)-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one::11-deoxycorticosterone::21-hydroxypregn-4-ene-3,20-dione::DOC::[4-14C]-11-deoxycorticosterone::deoxycorticosterone

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

InChI Key InChIKey=ZESRJSPZRDMNHY-YFWFAHHUSA-N

Data  5 KI  3 IC50  1 Kd

PDB links: 7 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 8582   

TargetSolute carrier family 22 member 2(RAT)
Medical College Of Georgia

Curated by ChEMBL
LigandPNGBDBM8582((1S,2R,10S,11S,14S,15S)-14-(2-hydroxyacetyl)-2,15-...)
Affinity DataIC50:  1.90E+3nMAssay Description:TP_TRANSPORTER: inhibition of TEA uptake (TEA: 20 uM) in OCT2-expressing HRPE cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM8582((1S,2R,10S,11S,14S,15S)-14-(2-hydroxyacetyl)-2,15-...)
Affinity DataIC50:  1.71E+4nMAssay Description:Ability to inhibit HMG-CoA reductase (HMGR) by cholesterol synthesis inhibition screen (CSI) in ratsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier family 22 member 3(Rattus norvegicus)
Medical College Of Georgia

Curated by ChEMBL
LigandPNGBDBM8582((1S,2R,10S,11S,14S,15S)-14-(2-hydroxyacetyl)-2,15-...)
Affinity DataIC50:  8.40E+3nMAssay Description:TP_TRANSPORTER: inhibition of TEA uptake (TEA: 20 uM) in OCT3-expressing HRPE cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed