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BDBM19244 (2S)-3-(3-chloro-4-isothiocyanatophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide::arylisothiocyanato derivative, S-28

SMILES: C[C@](O)(COc1ccc(N=C=S)c(Cl)c1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F

InChI Key: InChIKey=NSDRFILQFGBEMV-SFHVURJKSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 19244   
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


(Rattus norvegicus (Rat))
BDBM19244
PNG
((2S)-3-(3-chloro-4-isothiocyanatophenoxy)-N-[4-cya...)
Show SMILES C[C@](O)(COc1ccc(N=C=S)c(Cl)c1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C19H13ClF3N3O3S/c1-18(28,9-29-13-4-5-16(25-10-30)15(20)7-13)17(27)26-12-3-2-11(8-24)14(6-12)19(21,22)23/h2-7,28H,9H2,1H3,(H,26,27)/t18-/m0/s1
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Similars

Article
PubMed
8.60 -10.2n/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