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PubMed code 17149866

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Androgen receptor


(Homo sapiens (Human))
BDBM18161
PNG
((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C |r|
Show InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1
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Article
PubMed
n/an/a 1.82n/an/an/an/an/an/a



Orebro University

Curated by ChEMBL


Assay Description
Activity against human androgen receptor expressed in HepG2 cells assessed as luciferase reporter gene activation


J Med Chem 49: 7366-72 (2006)


Article DOI: 10.1021/jm060713d
BindingDB Entry DOI: 10.7270/Q2PZ58HD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen receptor


(Rattus norvegicus (Rat))
BDBM18161
PNG
((1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethy...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C |r|
Show InChI InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1
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Article
PubMed
n/an/a 18.5n/an/an/an/an/an/a



Orebro University

Curated by ChEMBL


Assay Description
Displacement of androgen fluormone from rat androgen receptor


J Med Chem 49: 7366-72 (2006)


Article DOI: 10.1021/jm060713d
BindingDB Entry DOI: 10.7270/Q2PZ58HD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen receptor


(Homo sapiens (Human))
BDBM50199965
PNG
(1,2-dibromo-4-(1,2-dibromoethyl)cyclohexane | CHEM...)
Show SMILES BrCC(Br)C1CCC(Br)C(Br)C1
Show InChI InChI=1S/C8H12Br4/c9-4-8(12)5-1-2-6(10)7(11)3-5/h5-8H,1-4H2
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PubMed
n/an/a 42.7n/an/an/an/an/an/a



Orebro University

Curated by ChEMBL


Assay Description
Activity against human androgen receptor expressed in HepG2 cells assessed as luciferase reporter gene activation


J Med Chem 49: 7366-72 (2006)


Article DOI: 10.1021/jm060713d
BindingDB Entry DOI: 10.7270/Q2PZ58HD
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))
BDBM50199965
PNG
(1,2-dibromo-4-(1,2-dibromoethyl)cyclohexane | CHEM...)
Show SMILES BrCC(Br)C1CCC(Br)C(Br)C1
Show InChI InChI=1S/C8H12Br4/c9-4-8(12)5-1-2-6(10)7(11)3-5/h5-8H,1-4H2
PDB
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CHEMBL
MCE
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Article
PubMed
n/an/a 163n/an/an/an/an/an/a



Orebro University

Curated by ChEMBL


Assay Description
Displacement of androgen fluormone from rat androgen receptor


J Med Chem 49: 7366-72 (2006)


Article DOI: 10.1021/jm060713d
BindingDB Entry DOI: 10.7270/Q2PZ58HD
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%