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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for entry = 50010884   
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


(Homo sapiens (Human))
BDBM18699
PNG
((2R)-3-bromo-2-hydroxy-2-methyl-N-[4-nitro-3-(trif...)
Show SMILES C[C@](O)(CBr)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C11H10BrF3N2O4/c1-10(19,5-12)9(18)16-6-2-3-8(17(20)21)7(4-6)11(13,14)15/h2-4,19H,5H2,1H3,(H,16,18)/t10-/m0/s1
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Article
PubMed
0.300n/an/an/an/an/an/an/an/a



The University of Tennessee-Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity against human androgen receptor (hAR) in competitive binding assay


J Med Chem 44: 1729-40 (2001)


Article DOI: 10.1021/jm0005353
BindingDB Entry DOI: 10.7270/Q25M650Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Androgen Receptor


(Homo sapiens (Human))
BDBM50099679
PNG
(3-Bromo-2-hydroxy-2-methyl-N-(4-nitro-3-trifluorom...)
Show SMILES C[C@@](O)(CBr)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C11H10BrF3N2O4/c1-10(19,5-12)9(18)16-6-2-3-8(17(20)21)7(4-6)11(13,14)15/h2-4,19H,5H2,1H3,(H,16,18)/t10-/m1/s1
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Article
PubMed
16.5n/an/an/an/an/an/an/an/a



The University of Tennessee-Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity against human androgen receptor (hAR) in competitive binding assay


J Med Chem 44: 1729-40 (2001)


Article DOI: 10.1021/jm0005353
BindingDB Entry DOI: 10.7270/Q25M650Q
More data for this
Ligand-Target Pair
Androgen Receptor


(Homo sapiens (Human))
BDBM50099680
PNG
((R)-N-(4-Amino-3-trifluoromethyl-phenyl)-3-bromo-2...)
Show SMILES C[C@](O)(CBr)C(=O)Nc1ccc(N)c(c1)C(F)(F)F
Show InChI InChI=1S/C11H12BrF3N2O2/c1-10(19,5-12)9(18)17-6-2-3-8(16)7(4-6)11(13,14)15/h2-4,19H,5,16H2,1H3,(H,17,18)/t10-/m0/s1
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Article
PubMed
80.9n/an/an/an/an/an/an/an/a



The University of Tennessee-Health Science Center

Curated by ChEMBL


Assay Description
Binding affinity against human androgen receptor (hAR) in competitive binding assay


J Med Chem 44: 1729-40 (2001)


Article DOI: 10.1021/jm0005353
BindingDB Entry DOI: 10.7270/Q25M650Q
More data for this
Ligand-Target Pair