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Compile Data Set for Download or QSAR

Found 6 hits with Last Name = 'ryu' and Initial = 'bj'   
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))
BDBM18692
PNG
((2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-f...)
Show SMILES C[C@@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C18H14F4N2O4S/c1-17(26,10-29(27,28)14-6-3-12(19)4-7-14)16(25)24-13-5-2-11(9-23)15(8-13)18(20,21)22/h2-8,26H,10H2,1H3,(H,24,25)/t17-/m1/s1
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PC sid
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Article
PubMed
n/an/a 270n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor in human LNCAP cells after 1 day by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 3887-90 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.065
BindingDB Entry DOI: 10.7270/Q26Q1ZMR
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50436483
PNG
(CHEMBL2397334)
Show SMILES CCS(=O)(=O)Nc1cccc(c1)-c1cc(=O)n(nc1C)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H17Cl2N3O3S/c1-3-28(26,27)23-14-6-4-5-13(9-14)16-11-19(25)24(22-12(16)2)15-7-8-17(20)18(21)10-15/h4-11,23H,3H2,1-2H3
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n/an/a 2.65E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor in human LNCAP cells after 1 day by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 3887-90 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.065
BindingDB Entry DOI: 10.7270/Q26Q1ZMR
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50436486
PNG
(CHEMBL2397336)
Show SMILES CCS(=O)(=O)Nc1cccc(c1)-c1cc(=O)n(nc1C)-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C19H17ClFN3O3S/c1-3-28(26,27)23-14-6-4-5-13(9-14)16-11-19(25)24(22-12(16)2)15-7-8-18(21)17(20)10-15/h4-11,23H,3H2,1-2H3
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n/an/a 5.07E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor in human LNCAP cells after 1 day by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 3887-90 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.065
BindingDB Entry DOI: 10.7270/Q26Q1ZMR
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50436484
PNG
(CHEMBL2397333)
Show SMILES CCS(=O)(=O)Nc1cccc(c1)-c1cc(=O)n(nc1C)-c1ccc(cc1)C#N
Show InChI InChI=1S/C20H18N4O3S/c1-3-28(26,27)23-17-6-4-5-16(11-17)19-12-20(25)24(22-14(19)2)18-9-7-15(13-21)8-10-18/h4-12,23H,3H2,1-2H3
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n/an/a 6.26E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor in human LNCAP cells after 1 day by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 3887-90 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.065
BindingDB Entry DOI: 10.7270/Q26Q1ZMR
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50436485
PNG
(CHEMBL2397337)
Show SMILES CCS(=O)(=O)Nc1cccc(c1)-c1cc(=O)n(nc1C)-c1ccc2ccccc2c1
Show InChI InChI=1S/C23H21N3O3S/c1-3-30(28,29)25-20-10-6-9-19(13-20)22-15-23(27)26(24-16(22)2)21-12-11-17-7-4-5-8-18(17)14-21/h4-15,25H,3H2,1-2H3
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n/an/a 9.76E+3n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor in human LNCAP cells after 1 day by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 3887-90 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.065
BindingDB Entry DOI: 10.7270/Q26Q1ZMR
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50436487
PNG
(CHEMBL2397335)
Show SMILES CCS(=O)(=O)Nc1cccc(c1)-c1cc(=O)n(nc1C)-c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C19H17Cl2N3O3S/c1-3-28(26,27)23-16-6-4-5-13(7-16)18-11-19(25)24(22-12(18)2)17-9-14(20)8-15(21)10-17/h4-11,23H,3H2,1-2H3
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Article
PubMed
n/an/a 1.32E+4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of androgen receptor in human LNCAP cells after 1 day by luciferase reporter gene assay


Bioorg Med Chem Lett 23: 3887-90 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.065
BindingDB Entry DOI: 10.7270/Q26Q1ZMR
More data for this
Ligand-Target Pair