BDBM26258 (1S,2R,9R,10R,11S,14S,15S)-14-hydroxy-9,14,15-trimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one::[3H]MIB::[3H]Mibolerone

SMILES [H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3C[C@@H](C)[C@@]21[H]

InChI Key InChIKey=PTQMMNYJKCSPET-OMHQDGTGSA-N

Data  4 KI  2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 26258   

TargetAndrogen receptor(Rattus norvegicus (Rat))
The University of Michigan Medical School

Curated by ChEMBL
LigandPNGBDBM26258((1S,2R,9R,10R,11S,14S,15S)-14-hydroxy-9,14,15-trim...)
Show SMILES C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@@]3(C)[C@@H](CC[C@]3(C)O)[C@H]12
Show InChI InChI=1S/C20H30O2/c1-12-10-13-11-14(21)4-5-15(13)16-6-8-19(2)17(18(12)16)7-9-20(19,3)22/h11-12,15-18,22H,4-10H2,1-3H3/t12-,15+,16-,17+,18-,19+,20+/m1/s1
Affinity DataKi:  0.75nMAssay Description:Binding affinity against rat prostate cytosolic Androgen receptor using [3H]mibolerone as radioligandMore data for this Ligand-Target Pair
TargetAndrogen receptor(Rattus norvegicus (Rat))
The University of Michigan Medical School

Curated by ChEMBL
LigandPNGBDBM26258((1S,2R,9R,10R,11S,14S,15S)-14-hydroxy-9,14,15-trim...)
Show SMILES C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@@]3(C)[C@@H](CC[C@]3(C)O)[C@H]12
Show InChI InChI=1S/C20H30O2/c1-12-10-13-11-14(21)4-5-15(13)16-6-8-19(2)17(18(12)16)7-9-20(19,3)22/h11-12,15-18,22H,4-10H2,1-3H3/t12-,15+,16-,17+,18-,19+,20+/m1/s1
Affinity DataKi:  0.75nMAssay Description:Inhibitory constant against rat prostate cytosol androgen receptor using [3H]miboleroneMore data for this Ligand-Target Pair
TargetAndrogen receptor(Rattus norvegicus (Rat))
The University of Michigan Medical School

Curated by ChEMBL
LigandPNGBDBM26258((1S,2R,9R,10R,11S,14S,15S)-14-hydroxy-9,14,15-trim...)
Show SMILES C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@@]3(C)[C@@H](CC[C@]3(C)O)[C@H]12
Show InChI InChI=1S/C20H30O2/c1-12-10-13-11-14(21)4-5-15(13)16-6-8-19(2)17(18(12)16)7-9-20(19,3)22/h11-12,15-18,22H,4-10H2,1-3H3/t12-,15+,16-,17+,18-,19+,20+/m1/s1
Affinity DataKi:  0.75nMAssay Description:Inhibition of rat prostate cytosolic androgen receptorMore data for this Ligand-Target Pair
TargetAndrogen receptor(Rattus norvegicus (Rat))
The University of Michigan Medical School

Curated by ChEMBL
LigandPNGBDBM26258((1S,2R,9R,10R,11S,14S,15S)-14-hydroxy-9,14,15-trim...)
Show SMILES C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@@]3(C)[C@@H](CC[C@]3(C)O)[C@H]12
Show InChI InChI=1S/C20H30O2/c1-12-10-13-11-14(21)4-5-15(13)16-6-8-19(2)17(18(12)16)7-9-20(19,3)22/h11-12,15-18,22H,4-10H2,1-3H3/t12-,15+,16-,17+,18-,19+,20+/m1/s1
Affinity DataKi:  0.759nMAssay Description:Inhibition of [3H]mibolerone binding to cytosolic androgen receptor of rat ventral prostateMore data for this Ligand-Target Pair
TargetAndrogen receptor(Rattus norvegicus (Rat))
The University of Michigan Medical School

Curated by ChEMBL
LigandPNGBDBM26258((1S,2R,9R,10R,11S,14S,15S)-14-hydroxy-9,14,15-trim...)
Show SMILES C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@@]3(C)[C@@H](CC[C@]3(C)O)[C@H]12
Show InChI InChI=1S/C20H30O2/c1-12-10-13-11-14(21)4-5-15(13)16-6-8-19(2)17(18(12)16)7-9-20(19,3)22/h11-12,15-18,22H,4-10H2,1-3H3/t12-,15+,16-,17+,18-,19+,20+/m1/s1
Affinity DataIC50: 1.66nMAssay Description:Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881)More data for this Ligand-Target Pair
TargetAndrogen receptor(Rattus norvegicus (Rat))
The University of Michigan Medical School

Curated by ChEMBL
LigandPNGBDBM26258((1S,2R,9R,10R,11S,14S,15S)-14-hydroxy-9,14,15-trim...)
Show SMILES C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@@]3(C)[C@@H](CC[C@]3(C)O)[C@H]12
Show InChI InChI=1S/C20H30O2/c1-12-10-13-11-14(21)4-5-15(13)16-6-8-19(2)17(18(12)16)7-9-20(19,3)22/h11-12,15-18,22H,4-10H2,1-3H3/t12-,15+,16-,17+,18-,19+,20+/m1/s1
Affinity DataIC50: 1nMAssay Description:Displacement of [3H]-MIB from rat prostate cytosolic androgen receptor by liquid scintillation counting methodMore data for this Ligand-Target Pair