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.

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 8582   

Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
Eli Lilly and Company

Curated by PDSP Ki Database
LigandPNGBDBM8582((1S,2R,10S,11S,14S,15S)-14-(2-hydroxyacetyl)-2,15-...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO
Show InChI InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1
Affinity DataKi:  1.40nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
Eli Lilly and Company

Curated by PDSP Ki Database
LigandPNGBDBM8582((1S,2R,10S,11S,14S,15S)-14-(2-hydroxyacetyl)-2,15-...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO
Show InChI InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1
TargetCorticosteroid-binding globulin(Homo sapiens)
Nippon Zoki Pharmaceutical Company Ltd.

Curated by ChEMBL
LigandPNGBDBM8582((1S,2R,10S,11S,14S,15S)-14-(2-hydroxyacetyl)-2,15-...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO
Show InChI InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1
Affinity DataKi:  22nMAssay Description:Binding affinity to human CBG receptor (corticosteroid-binding globulins)More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2B(RAT)
Eli Lilly and Company

Curated by PDSP Ki Database
LigandPNGBDBM8582((1S,2R,10S,11S,14S,15S)-14-(2-hydroxyacetyl)-2,15-...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO
Show InChI InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1
Affinity DataKi:  26.8nMMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2B(Homo sapiens (Human))
Eli Lilly and Company

Curated by PDSP Ki Database
LigandPNGBDBM8582((1S,2R,10S,11S,14S,15S)-14-(2-hydroxyacetyl)-2,15-...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO
Show InChI InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1
Affinity DataKi:  31.8nMMore data for this Ligand-Target Pair
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-...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO
Show InChI InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1
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
TargetBile salt export pump(Homo sapiens (Human))
AstraZeneca

Curated by ChEMBL
LigandPNGBDBM8582((1S,2R,10S,11S,14S,15S)-14-(2-hydroxyacetyl)-2,15-...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO
Show InChI InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1
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
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-...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO
Show InChI InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1
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
TargetSex hormone-binding globulin(Homo sapiens (Human))
University of British Columbia

Curated by ChEMBL
LigandPNGBDBM8582((1S,2R,10S,11S,14S,15S)-14-(2-hydroxyacetyl)-2,15-...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO
Show InChI InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1
Affinity DataKd:  42nMAssay Description:Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulinMore data for this Ligand-Target Pair