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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Androgen receptor' and Ligand = 'BDBM19249'   
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))
BDBM19249
PNG
((2S)-2-hydroxy-3-[(4-isothiocyanatophenyl)(methyl)...)
Show SMILES CN(C[C@](C)(O)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O)c1ccc(cc1)N=C=S
Show InChI InChI=1S/C19H17F3N4O4S/c1-18(28,10-25(2)14-6-3-12(4-7-14)23-11-31)17(27)24-13-5-8-16(26(29)30)15(9-13)19(20,21)22/h3-9,28H,10H2,1-2H3,(H,24,27)/t18-/m0/s1
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MMDB

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PC cid
PC sid
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Similars

Article
PubMed
41.2 -39.2n/an/an/an/an/a7.44



University of Tennessee Health Science Center



Assay Description
The Ki values were determined by the application of the Cheng-Prusoff equation: Ki = (IC50 x Kd)/(Kd+[L]) where [L] is the concentration of [3H]MIB (...


Bioorg Med Chem 14: 6525-38 (2006)


Article DOI: 10.1016/j.bmc.2006.06.019
BindingDB Entry DOI: 10.7270/Q2WQ022N
More data for this
Ligand-Target Pair