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SMILES: C[C@]12CCCC(C)(C)[C@H]1Nc1cc3[nH]c(=O)cc(c3cc21)C(F)(F)F

InChI Key: InChIKey=CMHJMUZTXMDMKL-SJLPKXTDSA-N

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50069059   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Androgen receptor


(Homo sapiens (Human))
BDBM50069059
PNG
((5bR,9aR)-5b,9,9-Trimethyl-4-trifluoromethyl-1,5b,...)
Show SMILES C[C@]12CCCC(C)(C)[C@H]1Nc1cc3[nH]c(=O)cc(c3cc21)C(F)(F)F
Show InChI InChI=1S/C19H21F3N2O/c1-17(2)5-4-6-18(3)12-7-10-11(19(20,21)22)8-15(25)23-13(10)9-14(12)24-16(17)18/h7-9,16,24H,4-6H2,1-3H3,(H,23,25)/t16-,18-/m1/s1
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77n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against Androgen receptor transfected into COS cells


Bioorg Med Chem Lett 8: 745-50 (1999)


BindingDB Entry DOI: 10.7270/Q2XS5THG
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50069059
PNG
((5bR,9aR)-5b,9,9-Trimethyl-4-trifluoromethyl-1,5b,...)
Show SMILES C[C@]12CCCC(C)(C)[C@H]1Nc1cc3[nH]c(=O)cc(c3cc21)C(F)(F)F
Show InChI InChI=1S/C19H21F3N2O/c1-17(2)5-4-6-18(3)12-7-10-11(19(20,21)22)8-15(25)23-13(10)9-14(12)24-16(17)18/h7-9,16,24H,4-6H2,1-3H3,(H,23,25)/t16-,18-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonistic activity (EC50) against human androgen receptor (hAR) in cotransfected CV-1 cell


Bioorg Med Chem Lett 8: 745-50 (1999)


BindingDB Entry DOI: 10.7270/Q2XS5THG
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM50069059
PNG
((5bR,9aR)-5b,9,9-Trimethyl-4-trifluoromethyl-1,5b,...)
Show SMILES C[C@]12CCCC(C)(C)[C@H]1Nc1cc3[nH]c(=O)cc(c3cc21)C(F)(F)F
Show InChI InChI=1S/C19H21F3N2O/c1-17(2)5-4-6-18(3)12-7-10-11(19(20,21)22)8-15(25)23-13(10)9-14(12)24-16(17)18/h7-9,16,24H,4-6H2,1-3H3,(H,23,25)/t16-,18-/m1/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonistic activity against Glucocorticoid receptor in cotransfected CV-1 cell


Bioorg Med Chem Lett 8: 745-50 (1999)


BindingDB Entry DOI: 10.7270/Q2XS5THG
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50069059
PNG
((5bR,9aR)-5b,9,9-Trimethyl-4-trifluoromethyl-1,5b,...)
Show SMILES C[C@]12CCCC(C)(C)[C@H]1Nc1cc3[nH]c(=O)cc(c3cc21)C(F)(F)F
Show InChI InChI=1S/C19H21F3N2O/c1-17(2)5-4-6-18(3)12-7-10-11(19(20,21)22)8-15(25)23-13(10)9-14(12)24-16(17)18/h7-9,16,24H,4-6H2,1-3H3,(H,23,25)/t16-,18-/m1/s1
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PubMed
n/an/a 51n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Agonistic activity (EC50) against human androgen receptor (hAR) in cotransfected CV-1 cell


Bioorg Med Chem Lett 8: 745-50 (1999)


BindingDB Entry DOI: 10.7270/Q2XS5THG
More data for this
Ligand-Target Pair
Progesterone receptor


(Homo sapiens (Human))
BDBM50069059
PNG
((5bR,9aR)-5b,9,9-Trimethyl-4-trifluoromethyl-1,5b,...)
Show SMILES C[C@]12CCCC(C)(C)[C@H]1Nc1cc3[nH]c(=O)cc(c3cc21)C(F)(F)F
Show InChI InChI=1S/C19H21F3N2O/c1-17(2)5-4-6-18(3)12-7-10-11(19(20,21)22)8-15(25)23-13(10)9-14(12)24-16(17)18/h7-9,16,24H,4-6H2,1-3H3,(H,23,25)/t16-,18-/m1/s1
PDB

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PubMed
n/an/a 430n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonistic activity against hPR in cotransfected CV-1 cell


Bioorg Med Chem Lett 8: 745-50 (1999)


BindingDB Entry DOI: 10.7270/Q2XS5THG
More data for this
Ligand-Target Pair
Mineralocorticoid receptor


(Homo sapiens (Human))
BDBM50069059
PNG
((5bR,9aR)-5b,9,9-Trimethyl-4-trifluoromethyl-1,5b,...)
Show SMILES C[C@]12CCCC(C)(C)[C@H]1Nc1cc3[nH]c(=O)cc(c3cc21)C(F)(F)F
Show InChI InChI=1S/C19H21F3N2O/c1-17(2)5-4-6-18(3)12-7-10-11(19(20,21)22)8-15(25)23-13(10)9-14(12)24-16(17)18/h7-9,16,24H,4-6H2,1-3H3,(H,23,25)/t16-,18-/m1/s1
PDB
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 570n/an/an/an/an/an/a



Ligand Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonistic activity against hMR in cotransfected CV-1 cell


Bioorg Med Chem Lett 8: 745-50 (1999)


BindingDB Entry DOI: 10.7270/Q2XS5THG
More data for this
Ligand-Target Pair