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BDBM19247 2-hydroxy-4-(4-isothiocyanatophenyl)-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]butanamide::Racemic mixture::arylisothiocyanato derivative, 31

SMILES: CC(O)(CCc1ccc(cc1)N=C=S)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O

InChI Key: InChIKey=MBCNDSMLFINWKN-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 19247   
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))
BDBM19247
PNG
(2-hydroxy-4-(4-isothiocyanatophenyl)-2-methyl-N-[4...)
Show SMILES CC(O)(CCc1ccc(cc1)N=C=S)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C19H16F3N3O4S/c1-18(27,9-8-12-2-4-13(5-3-12)23-11-30)17(26)24-14-6-7-16(25(28)29)15(10-14)19(20,21)22/h2-7,10,27H,8-9H2,1H3,(H,24,26)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
31.8 -9.50n/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