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BDBM50170578 1-(4-{1-Ethyl-1-[4-(3-hydroxy-3-methyl-butylamino)-3-methyl-phenyl]-propyl}-2-methyl-phenoxy)-3,3-dimethyl-butan-2-one::CHEMBL197548

SMILES: CCC(CC)(c1ccc(NCCC(C)(C)O)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1

InChI Key: InChIKey=LCMLIFNQTPEZII-UHFFFAOYSA-N

Data: 1 KI  1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50170578   
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))
BDBM50170578
PNG
(1-(4-{1-Ethyl-1-[4-(3-hydroxy-3-methyl-butylamino)...)
Show SMILES CCC(CC)(c1ccc(NCCC(C)(C)O)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1
Show InChI InChI=1S/C30H45NO3/c1-10-30(11-2,23-12-14-25(21(3)18-23)31-17-16-29(8,9)33)24-13-15-26(22(4)19-24)34-20-27(32)28(5,6)7/h12-15,18-19,31,33H,10-11,16-17,20H2,1-9H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.90E+3n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Binding affinity to androgen receptor by incubation with GST-hARLBD and [3H]-testosterone


Bioorg Med Chem Lett 15: 4327-31 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.044
BindingDB Entry DOI: 10.7270/Q2SX6CS6
More data for this
Ligand-Target Pair
Androgen Receptor


(Mus musculus)
BDBM50170578
PNG
(1-(4-{1-Ethyl-1-[4-(3-hydroxy-3-methyl-butylamino)...)
Show SMILES CCC(CC)(c1ccc(NCCC(C)(C)O)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1
Show InChI InChI=1S/C30H45NO3/c1-10-30(11-2,23-12-14-25(21(3)18-23)31-17-16-29(8,9)33)24-13-15-26(22(4)19-24)34-20-27(32)28(5,6)7/h12-15,18-19,31,33H,10-11,16-17,20H2,1-9H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 820n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Androgen antagonistic activity as inhibitory concentration against testosterone-induced SC-3 cell proliferation


Bioorg Med Chem Lett 15: 4327-31 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.044
BindingDB Entry DOI: 10.7270/Q2SX6CS6
More data for this
Ligand-Target Pair