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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Androgen Receptor' and Ligand = 'BDBM50170576'   
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))
BDBM50170576
PNG
(1-(4-{1-[4-(2,3-Dihydroxy-propylamino)-3-methyl-ph...)
Show SMILES CCC(CC)(c1ccc(NCC(O)CO)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1
Show InChI InChI=1S/C28H41NO4/c1-8-28(9-2,21-10-12-24(19(3)14-21)29-16-23(31)17-30)22-11-13-25(20(4)15-22)33-18-26(32)27(5,6)7/h10-15,23,29-31H,8-9,16-18H2,1-7H3
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PC cid
PC sid
UniChem
Article
PubMed
1.17E+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)
BDBM50170576
PNG
(1-(4-{1-[4-(2,3-Dihydroxy-propylamino)-3-methyl-ph...)
Show SMILES CCC(CC)(c1ccc(NCC(O)CO)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1
Show InChI InChI=1S/C28H41NO4/c1-8-28(9-2,21-10-12-24(19(3)14-21)29-16-23(31)17-30)22-11-13-25(20(4)15-22)33-18-26(32)27(5,6)7/h10-15,23,29-31H,8-9,16-18H2,1-7H3
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.60n/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