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2 similar compounds to monomer 19249

Compile data set for download or QSAR
Wt: 440.3
BDBM19248
Wt: 440.3
BDBM18677

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 19248,18677   
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))
BDBM19248
PNG
((2S)-2-hydroxy-3-[(4-isothiocyanatophenyl)amino]-2...)
Show SMILES C[C@](O)(CNc1ccc(cc1)N=C=S)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C18H15F3N4O4S/c1-17(27,9-22-11-2-4-12(5-3-11)23-10-30)16(26)24-13-6-7-15(25(28)29)14(8-13)18(19,20)21/h2-8,22,27H,9H2,1H3,(H,24,26)/t17-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
21.4 -9.72n/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
Androgen receptor


(Rattus norvegicus (Rat))
BDBM18677
PNG
((2S)-3-[(4-acetamidophenyl)amino]-2-hydroxy-2-meth...)
Show SMILES CC(=O)Nc1ccc(NC[C@](C)(O)C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+]([O-])=O)cc1
Show InChI InChI=1S/C19H19F3N4O5/c1-11(27)24-13-5-3-12(4-6-13)23-10-18(2,29)17(28)25-14-7-8-16(26(30)31)15(9-14)19(20,21)22/h3-9,23,29H,10H2,1-2H3,(H,24,27)(H,25,28)/t18-/m0/s1
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PC sid
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Patents


Similars

Article
PubMed
128 -8.73n/an/an/an/an/a7.44



University of Tennessee at Memphis



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 (...


J Med Chem 47: 993-8 (2004)


Article DOI: 10.1021/jm030336u
BindingDB Entry DOI: 10.7270/Q2JH3JFB
More data for this
Ligand-Target Pair