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 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO

InChI Key InChIKey=ZESRJSPZRDMNHY-UHFFFAOYSA-N

Data  5 KI  3 IC50  1 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 8582   

TargetSex hormone-binding globulin(Human)
University of British Columbia

Curated by ChEMBL
LigandPNGBDBM8582((1S,2R,10S,11S,14S,15S)-14-(2-hydroxyacetyl)-2,15-...)
Affinity DataKd:  42nMAssay Description:Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/23/2013
Entry Details Article
PubMed
TargetBile salt export pump(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM8582((1S,2R,10S,11S,14S,15S)-14-(2-hydroxyacetyl)-2,15-...)
Affinity DataIC50: 1.71E+4nMAssay 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 Depth
Date in BDB:
9/28/2019
Entry Details Article
PubMed
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 Depth
Date in BDB:
8/30/2020
Entry Details Article
PubMed
TargetSolute carrier family 22 member 3(Rat)
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 Depth
Date in BDB:
8/30/2020
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2A(Human)
Eli Lilly

Curated by PDSP Ki Database
LigandPNGBDBM8582((1S,2R,10S,11S,14S,15S)-14-(2-hydroxyacetyl)-2,15-...)
Affinity DataKi:  1.40nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2C(Human)
Eli Lilly

Curated by PDSP Ki Database
LigandPNGBDBM8582((1S,2R,10S,11S,14S,15S)-14-(2-hydroxyacetyl)-2,15-...)
In Depth
Date in BDB:
3/28/2012
Entry Details Article
PubMed
TargetCorticosteroid-binding globulin(Human)
Nippon Zoki Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM8582((1S,2R,10S,11S,14S,15S)-14-(2-hydroxyacetyl)-2,15-...)
Affinity DataKi:  22nMAssay Description:Binding affinity to human CBG receptor (corticosteroid-binding globulins)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2020
Entry Details Article
PubMed
LigandPNGBDBM8582((1S,2R,10S,11S,14S,15S)-14-(2-hydroxyacetyl)-2,15-...)
Affinity DataKi:  26.8nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2B(Human)
Eli Lilly

Curated by PDSP Ki Database
LigandPNGBDBM8582((1S,2R,10S,11S,14S,15S)-14-(2-hydroxyacetyl)-2,15-...)
Affinity DataKi:  31.8nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2012
Entry Details Article
PubMed