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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Androgen receptor' and Ligand = 'BDBM50098984'   
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


(Rattus norvegicus (Rat))
BDBM50098984
PNG
(4-{3-[2-(4-Iodo-phenyl)-ethyl]-4,4-dimethyl-2,5-di...)
Show SMILES CC1(C)N(CCc2ccc(I)cc2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H17F3IN3O2/c1-20(2)18(29)28(16-8-5-14(12-26)17(11-16)21(22,23)24)19(30)27(20)10-9-13-3-6-15(25)7-4-13/h3-8,11H,9-10H2,1-2H3
PDB
MMDB

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PC cid
PC sid
UniChem
PubMed
415n/an/an/an/an/an/an/an/a



The University of Michigan Medical School

Curated by ChEMBL


Assay Description
Binding affinity against rat prostate cytosolic Androgen receptor using [3H]mibolerone as radioligand


Bioorg Med Chem Lett 11: 1045-7 (2001)


BindingDB Entry DOI: 10.7270/Q2SF2WQ5
More data for this
Ligand-Target Pair