BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 37 hits with Last Name = 'taniguchi' and Initial = 'n'   
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))		BDBM18656
PNG
((2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-...)
Show SMILES C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccc(nc1)C(F)(F)F)c1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C21H19F6N5O/c1-12-11-32(19(33)30-15-4-6-18(29-9-15)21(25,26)27)13(2)10-31(12)16-5-3-14(8-28)17(7-16)20(22,23)24/h3-7,9,12-13H,10-11H2,1-2H3,(H,30,33)/t12-,13+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 4.60n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.



Assay Description
The Ki values were determined by the application of the Cheng-Prusoff equation: Ki=IC50/(1+[L]/Kd] where [L] is the concentration of labeled ligand a...

J Med Chem 49: 716-26 (2006)


Article DOI: 10.1021/jm050293c
BindingDB Entry DOI: 10.7270/Q2P84952
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))		BDBM18656
PNG
((2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-...)
Show SMILES C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccc(nc1)C(F)(F)F)c1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C21H19F6N5O/c1-12-11-32(19(33)30-15-4-6-18(29-9-15)21(25,26)27)13(2)10-31(12)16-5-3-14(8-28)17(7-16)20(22,23)24/h3-7,9,12-13H,10-11H2,1-2H3,(H,30,33)/t12-,13+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 6.20n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.



Assay Description
The Ki values were determined by the application of the Cheng-Prusoff equation: Ki=IC50/(1+[L]/Kd] where [L] is the concentration of labeled ligand a...

J Med Chem 49: 716-26 (2006)


Article DOI: 10.1021/jm050293c
BindingDB Entry DOI: 10.7270/Q2P84952
More data for this
Ligand-Target Pair
Androgen receptor


(Rattus norvegicus (Rat))		BDBM18525
PNG
(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Show SMILES CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents

Similars
PDB
Article
PubMed
 14n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.



Assay Description
The Ki values were determined by the application of the Cheng-Prusoff equation: Ki=IC50/(1+[L]/Kd] where [L] is the concentration of labeled ligand a...

J Med Chem 49: 716-26 (2006)


Article DOI: 10.1021/jm050293c
BindingDB Entry DOI: 10.7270/Q2P84952
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Androgen receptor


(Homo sapiens (Human))		BDBM18525
PNG
(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Show SMILES CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents

Similars
DrugBank
PDB
Article
PubMed
 19n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.



Assay Description
The Ki values were determined by the application of the Cheng-Prusoff equation: Ki=IC50/(1+[L]/Kd] where [L] is the concentration of labeled ligand a...

J Med Chem 49: 716-26 (2006)


Article DOI: 10.1021/jm050293c
BindingDB Entry DOI: 10.7270/Q2P84952
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Progesterone receptor


(Rattus norvegicus)		BDBM18656
PNG
((2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-...)
Show SMILES C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccc(nc1)C(F)(F)F)c1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C21H19F6N5O/c1-12-11-32(19(33)30-15-4-6-18(29-9-15)21(25,26)27)13(2)10-31(12)16-5-3-14(8-28)17(7-16)20(22,23)24/h3-7,9,12-13H,10-11H2,1-2H3,(H,30,33)/t12-,13+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 3.30E+3n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.



Assay Description
The Ki values were determined by the application of the Cheng-Prusoff equation: Ki=IC50/(1+[L]/Kd] where [L] is the concentration of labeled ligand a...

J Med Chem 49: 716-26 (2006)


Article DOI: 10.1021/jm050293c
BindingDB Entry DOI: 10.7270/Q2P84952
More data for this
Ligand-Target Pair
Progesterone receptor


(Rattus norvegicus)		BDBM18525
PNG
(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Show SMILES CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents

Similars
Article
PubMed
 7.20E+3n/an/an/an/an/an/an/an/a



Astellas Pharma Inc.



Assay Description
The Ki values were determined by the application of the Cheng-Prusoff equation: Ki=IC50/(1+[L]/Kd] where [L] is the concentration of labeled ligand a...

J Med Chem 49: 716-26 (2006)


Article DOI: 10.1021/jm050293c
BindingDB Entry DOI: 10.7270/Q2P84952
More data for this
Ligand-Target Pair
N-acetyllactosaminide beta-1,3-N-acetylglucosaminyltransferase 3


(Homo sapiens (Human))		BDBM50058694
PNG
(CHEMBL3326806)
Show SMILES [H][C@]1(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@]2([H])O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@]2([H])O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)O[C@H](OC)[C@H]1O |r|
Show InChI InChI=1S/C35H60N2O26/c1-9(42)36-16-23(49)18(44)11(4-38)56-31(16)62-29-25(51)20(46)13(6-40)58-34(29)55-8-15-22(48)28(27(53)33(54-3)60-15)61-35-30(26(52)21(47)14(7-41)59-35)63-32-17(37-10(2)43)24(50)19(45)12(5-39)57-32/h11-35,38-41,44-53H,4-8H2,1-3H3,(H,36,42)(H,37,43)/t11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25+,26+,27+,28+,29+,30+,31+,32+,33+,34+,35-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.20E+6n/an/an/an/an/an/an/an/a



RIKEN-Max Planck Joint Research Center for Systems Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of human N-terminally His6-tagged N-acetylglucosaminyltransferase 3 expressed in HEK293T cells assessed as GN-GnGnbi-PAs molar ratio level...

Bioorg Med Chem Lett 24: 4533-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.074
BindingDB Entry DOI: 10.7270/Q2HQ41K2
More data for this
Ligand-Target Pair
N-acetyllactosaminide beta-1,3-N-acetylglucosaminyltransferase 3


(Homo sapiens (Human))		BDBM50058694
PNG
(CHEMBL3326806)
Show SMILES [H][C@]1(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@]2([H])O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@]2([H])O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)O[C@H](OC)[C@H]1O |r|
Show InChI InChI=1S/C35H60N2O26/c1-9(42)36-16-23(49)18(44)11(4-38)56-31(16)62-29-25(51)20(46)13(6-40)58-34(29)55-8-15-22(48)28(27(53)33(54-3)60-15)61-35-30(26(52)21(47)14(7-41)59-35)63-32-17(37-10(2)43)24(50)19(45)12(5-39)57-32/h11-35,38-41,44-53H,4-8H2,1-3H3,(H,36,42)(H,37,43)/t11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25+,26+,27+,28+,29+,30+,31+,32+,33+,34+,35-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
 1.40E+6n/an/an/an/an/an/an/an/a



RIKEN-Max Planck Joint Research Center for Systems Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of human N-terminally His6-tagged N-acetylglucosaminyltransferase 3 expressed in HEK293T cells assessed as GN-GnGnbi-PAs molar ratio level...

Bioorg Med Chem Lett 24: 4533-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.074
BindingDB Entry DOI: 10.7270/Q2HQ41K2
More data for this
Ligand-Target Pair
N-acetyllactosaminide beta-1,3-N-acetylglucosaminyltransferase 3


(Homo sapiens (Human))		BDBM50058693
PNG
(CHEMBL3326805)
Show SMILES [H][C@@]1(O[C@@H]2[C@@H](CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@]3([H])O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)O[C@H](OC)[C@@H](O)[C@@]2([H])O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@]2([H])O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O |r|
Show InChI InChI=1S/C43H73N3O31/c1-11(52)44-20-28(60)23(55)14(5-47)68-38(20)74-34-19(10-67-42-36(31(63)26(58)17(8-50)71-42)76-39-21(45-12(2)53)29(61)24(56)15(6-48)69-39)73-41(66-4)33(65)35(34)75-43-37(32(64)27(59)18(9-51)72-43)77-40-22(46-13(3)54)30(62)25(57)16(7-49)70-40/h14-43,47-51,55-65H,5-10H2,1-4H3,(H,44,52)(H,45,53)(H,46,54)/t14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31+,32+,33+,34-,35-,36+,37+,38+,39+,40+,41+,42+,43-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 1.50E+6n/an/an/an/an/an/an/an/a



RIKEN-Max Planck Joint Research Center for Systems Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of human N-terminally His6-tagged N-acetylglucosaminyltransferase 3 expressed in HEK293T cells assessed as GN-GnGnbi-PAs molar ratio level...

Bioorg Med Chem Lett 24: 4533-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.074
BindingDB Entry DOI: 10.7270/Q2HQ41K2
More data for this
Ligand-Target Pair
N-acetyllactosaminide beta-1,3-N-acetylglucosaminyltransferase 3


(Homo sapiens (Human))		BDBM50058693
PNG
(CHEMBL3326805)
Show SMILES [H][C@@]1(O[C@@H]2[C@@H](CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@]3([H])O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)O[C@H](OC)[C@@H](O)[C@@]2([H])O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@]2([H])O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O |r|
Show InChI InChI=1S/C43H73N3O31/c1-11(52)44-20-28(60)23(55)14(5-47)68-38(20)74-34-19(10-67-42-36(31(63)26(58)17(8-50)71-42)76-39-21(45-12(2)53)29(61)24(56)15(6-48)69-39)73-41(66-4)33(65)35(34)75-43-37(32(64)27(59)18(9-51)72-43)77-40-22(46-13(3)54)30(62)25(57)16(7-49)70-40/h14-43,47-51,55-65H,5-10H2,1-4H3,(H,44,52)(H,45,53)(H,46,54)/t14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31+,32+,33+,34-,35-,36+,37+,38+,39+,40+,41+,42+,43-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 1.40E+7n/an/an/an/an/an/an/an/a



RIKEN-Max Planck Joint Research Center for Systems Chemical Biology

Curated by ChEMBL


Assay Description
Inhibition of human N-terminally His6-tagged N-acetylglucosaminyltransferase 3 expressed in HEK293T cells assessed as GN-GnGnbi-PAs molar ratio level...

Bioorg Med Chem Lett 24: 4533-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.074
BindingDB Entry DOI: 10.7270/Q2HQ41K2
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM18656
PNG
((2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-...)
Show SMILES C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccc(nc1)C(F)(F)F)c1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C21H19F6N5O/c1-12-11-32(19(33)30-15-4-6-18(29-9-15)21(25,26)27)13(2)10-31(12)16-5-3-14(8-28)17(7-16)20(22,23)24/h3-7,9,12-13H,10-11H2,1-2H3,(H,30,33)/t12-,13+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 110n/an/an/an/a7.8n/a



Astellas Pharma Inc.



Assay Description
Activities of the test compounds to inhibit androgen receptor mediated transcription induced by DHT were evaluated using stable transfected AR/CHO#3 ...

J Med Chem 49: 716-26 (2006)


Article DOI: 10.1021/jm050293c
BindingDB Entry DOI: 10.7270/Q2P84952
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM18636
PNG
((2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-...)
Show SMILES C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1cccnc1)c1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C20H20F3N5O/c1-13-12-28(19(29)26-16-4-3-7-25-10-16)14(2)11-27(13)17-6-5-15(9-24)18(8-17)20(21,22)23/h3-8,10,13-14H,11-12H2,1-2H3,(H,26,29)/t13-,14+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 120n/an/an/an/a7.8n/a



Astellas Pharma Inc.



Assay Description
Activities of the test compounds to inhibit androgen receptor mediated transcription induced by DHT were evaluated using stable transfected AR/CHO#3 ...

J Med Chem 49: 716-26 (2006)


Article DOI: 10.1021/jm050293c
BindingDB Entry DOI: 10.7270/Q2P84952
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM18645
PNG
((2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-...)
Show SMILES C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccc(C)nc1)c1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C21H22F3N5O/c1-13-4-6-17(10-26-13)27-20(30)29-12-14(2)28(11-15(29)3)18-7-5-16(9-25)19(8-18)21(22,23)24/h4-8,10,14-15H,11-12H2,1-3H3,(H,27,30)/t14-,15+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 130n/an/an/an/a7.8n/a



Astellas Pharma Inc.



Assay Description
Activities of the test compounds to inhibit androgen receptor mediated transcription induced by DHT were evaluated using stable transfected AR/CHO#3 ...

J Med Chem 49: 716-26 (2006)


Article DOI: 10.1021/jm050293c
BindingDB Entry DOI: 10.7270/Q2P84952
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM18637
PNG
((2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-...)
Show SMILES C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccncc1)c1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C20H20F3N5O/c1-13-12-28(19(29)26-16-5-7-25-8-6-16)14(2)11-27(13)17-4-3-15(10-24)18(9-17)20(21,22)23/h3-9,13-14H,11-12H2,1-2H3,(H,25,26,29)/t13-,14+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 140n/an/an/an/a7.8n/a



Astellas Pharma Inc.



Assay Description
Activities of the test compounds to inhibit androgen receptor mediated transcription induced by DHT were evaluated using stable transfected AR/CHO#3 ...

J Med Chem 49: 716-26 (2006)


Article DOI: 10.1021/jm050293c
BindingDB Entry DOI: 10.7270/Q2P84952
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM18649
PNG
((2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(6...)
Show SMILES COc1ccc(NC(=O)N2C[C@H](C)N(C[C@H]2C)c2ccc(C#N)c(c2)C(F)(F)F)cn1 |r|
Show InChI InChI=1S/C21H22F3N5O2/c1-13-12-29(20(30)27-16-5-7-19(31-3)26-10-16)14(2)11-28(13)17-6-4-15(9-25)18(8-17)21(22,23)24/h4-8,10,13-14H,11-12H2,1-3H3,(H,27,30)/t13-,14+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 170n/an/an/an/a7.8n/a



Astellas Pharma Inc.



Assay Description
Activities of the test compounds to inhibit androgen receptor mediated transcription induced by DHT were evaluated using stable transfected AR/CHO#3 ...

J Med Chem 49: 716-26 (2006)


Article DOI: 10.1021/jm050293c
BindingDB Entry DOI: 10.7270/Q2P84952
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM18646
PNG
((2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(2...)
Show SMILES COc1ncccc1NC(=O)N1C[C@H](C)N(C[C@H]1C)c1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C21H22F3N5O2/c1-13-12-29(20(30)27-18-5-4-8-26-19(18)31-3)14(2)11-28(13)16-7-6-15(10-25)17(9-16)21(22,23)24/h4-9,13-14H,11-12H2,1-3H3,(H,27,30)/t13-,14+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 190n/an/an/an/a7.8n/a



Astellas Pharma Inc.



Assay Description
Activities of the test compounds to inhibit androgen receptor mediated transcription induced by DHT were evaluated using stable transfected AR/CHO#3 ...

J Med Chem 49: 716-26 (2006)


Article DOI: 10.1021/jm050293c
BindingDB Entry DOI: 10.7270/Q2P84952
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM18634
PNG
((2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(2...)
Show SMILES C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccc(F)cc1F)c1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C21H19F5N4O/c1-12-11-30(20(31)28-19-6-4-15(22)7-18(19)23)13(2)10-29(12)16-5-3-14(9-27)17(8-16)21(24,25)26/h3-8,12-13H,10-11H2,1-2H3,(H,28,31)/t12-,13+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 200n/an/an/an/a7.8n/a



Astellas Pharma Inc.



Assay Description
Activities of the test compounds to inhibit androgen receptor mediated transcription induced by DHT were evaluated using stable transfected AR/CHO#3 ...

J Med Chem 49: 716-26 (2006)


Article DOI: 10.1021/jm050293c
BindingDB Entry DOI: 10.7270/Q2P84952
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM18654
PNG
((2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(6...)
Show SMILES C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccc(nc1)C#N)c1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C21H19F3N6O/c1-13-12-30(20(31)28-17-5-4-16(9-26)27-10-17)14(2)11-29(13)18-6-3-15(8-25)19(7-18)21(22,23)24/h3-7,10,13-14H,11-12H2,1-2H3,(H,28,31)/t13-,14+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 200n/an/an/an/a7.8n/a



Astellas Pharma Inc.



Assay Description
Activities of the test compounds to inhibit androgen receptor mediated transcription induced by DHT were evaluated using stable transfected AR/CHO#3 ...

J Med Chem 49: 716-26 (2006)


Article DOI: 10.1021/jm050293c
BindingDB Entry DOI: 10.7270/Q2P84952
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM18655
PNG
(4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-dimethyl...)
Show SMILES CC1CN(C(C)CN1C(=O)Nc1ccc(nc1)C(F)(F)F)c1ccc(C#N)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H19F6N5O/c1-12-11-32(19(33)30-15-4-6-18(29-9-15)21(25,26)27)13(2)10-31(12)16-5-3-14(8-28)17(7-16)20(22,23)24/h3-7,9,12-13H,10-11H2,1-2H3,(H,30,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 210n/an/an/an/a7.8n/a



Astellas Pharma Inc.



Assay Description
Activities of the test compounds to inhibit androgen receptor mediated transcription induced by DHT were evaluated using stable transfected AR/CHO#3 ...

J Med Chem 49: 716-26 (2006)


Article DOI: 10.1021/jm050293c
BindingDB Entry DOI: 10.7270/Q2P84952
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM18650
PNG
((2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-...)
Show SMILES CSc1ccc(NC(=O)N2C[C@H](C)N(C[C@H]2C)c2ccc(C#N)c(c2)C(F)(F)F)cn1 |r|
Show InChI InChI=1S/C21H22F3N5OS/c1-13-12-29(20(30)27-16-5-7-19(31-3)26-10-16)14(2)11-28(13)17-6-4-15(9-25)18(8-17)21(22,23)24/h4-8,10,13-14H,11-12H2,1-3H3,(H,27,30)/t13-,14+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 220n/an/an/an/a7.8n/a



Astellas Pharma Inc.



Assay Description
Activities of the test compounds to inhibit androgen receptor mediated transcription induced by DHT were evaluated using stable transfected AR/CHO#3 ...

J Med Chem 49: 716-26 (2006)


Article DOI: 10.1021/jm050293c
BindingDB Entry DOI: 10.7270/Q2P84952
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM18644
PNG
((2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-...)
Show SMILES C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1cncc(C)c1)c1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C21H22F3N5O/c1-13-6-17(10-26-9-13)27-20(30)29-12-14(2)28(11-15(29)3)18-5-4-16(8-25)19(7-18)21(22,23)24/h4-7,9-10,14-15H,11-12H2,1-3H3,(H,27,30)/t14-,15+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 250n/an/an/an/a7.8n/a



Astellas Pharma Inc.



Assay Description
Activities of the test compounds to inhibit androgen receptor mediated transcription induced by DHT were evaluated using stable transfected AR/CHO#3 ...

J Med Chem 49: 716-26 (2006)


Article DOI: 10.1021/jm050293c
BindingDB Entry DOI: 10.7270/Q2P84952
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM18643
PNG
((2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-...)
Show SMILES C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1cnccc1C)c1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C21H22F3N5O/c1-13-6-7-26-10-19(13)27-20(30)29-12-14(2)28(11-15(29)3)17-5-4-16(9-25)18(8-17)21(22,23)24/h4-8,10,14-15H,11-12H2,1-3H3,(H,27,30)/t14-,15+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 330n/an/an/an/a7.8n/a



Astellas Pharma Inc.



Assay Description
Activities of the test compounds to inhibit androgen receptor mediated transcription induced by DHT were evaluated using stable transfected AR/CHO#3 ...

J Med Chem 49: 716-26 (2006)


Article DOI: 10.1021/jm050293c
BindingDB Entry DOI: 10.7270/Q2P84952
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM18659
PNG
((2R,5S)-N-(6-aminopyridin-3-yl)-4-[4-cyano-3-(trif...)
Show SMILES C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccc(N)nc1)c1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C20H21F3N6O/c1-12-11-29(19(30)27-15-4-6-18(25)26-9-15)13(2)10-28(12)16-5-3-14(8-24)17(7-16)20(21,22)23/h3-7,9,12-13H,10-11H2,1-2H3,(H2,25,26)(H,27,30)/t12-,13+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 370n/an/an/an/a7.8n/a



Astellas Pharma Inc.



Assay Description
Activities of the test compounds to inhibit androgen receptor mediated transcription induced by DHT were evaluated using stable transfected AR/CHO#3 ...

J Med Chem 49: 716-26 (2006)


Article DOI: 10.1021/jm050293c
BindingDB Entry DOI: 10.7270/Q2P84952
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM18648
PNG
((2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(5...)
Show SMILES COc1cncc(NC(=O)N2C[C@H](C)N(C[C@H]2C)c2ccc(C#N)c(c2)C(F)(F)F)c1 |r|
Show InChI InChI=1S/C21H22F3N5O2/c1-13-12-29(20(30)27-16-6-18(31-3)10-26-9-16)14(2)11-28(13)17-5-4-15(8-25)19(7-17)21(22,23)24/h4-7,9-10,13-14H,11-12H2,1-3H3,(H,27,30)/t13-,14+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 440n/an/an/an/a7.8n/a



Astellas Pharma Inc.



Assay Description
Activities of the test compounds to inhibit androgen receptor mediated transcription induced by DHT were evaluated using stable transfected AR/CHO#3 ...

J Med Chem 49: 716-26 (2006)


Article DOI: 10.1021/jm050293c
BindingDB Entry DOI: 10.7270/Q2P84952
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM18652
PNG
(N-Arylpiperazine-1-carboxamide Derivative, 30 | me...)
Show SMILES COC(=O)c1ccc(NC(=O)N2C[C@H](C)N(C[C@H]2C)c2ccc(C#N)c(c2)C(F)(F)F)cn1 |r|
Show InChI InChI=1S/C22H22F3N5O3/c1-13-12-30(21(32)28-16-5-7-19(27-10-16)20(31)33-3)14(2)11-29(13)17-6-4-15(9-26)18(8-17)22(23,24)25/h4-8,10,13-14H,11-12H2,1-3H3,(H,28,32)/t13-,14+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 470n/an/an/an/a7.8n/a



Astellas Pharma Inc.



Assay Description
Activities of the test compounds to inhibit androgen receptor mediated transcription induced by DHT were evaluated using stable transfected AR/CHO#3 ...

J Med Chem 49: 716-26 (2006)


Article DOI: 10.1021/jm050293c
BindingDB Entry DOI: 10.7270/Q2P84952
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM18653
PNG
((2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(6...)
Show SMILES C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccc(nc1)C(C)=O)c1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C22H22F3N5O2/c1-13-12-30(21(32)28-17-5-7-20(15(3)31)27-10-17)14(2)11-29(13)18-6-4-16(9-26)19(8-18)22(23,24)25/h4-8,10,13-14H,11-12H2,1-3H3,(H,28,32)/t13-,14+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 500n/an/an/an/a7.8n/a



Astellas Pharma Inc.



Assay Description
Activities of the test compounds to inhibit androgen receptor mediated transcription induced by DHT were evaluated using stable transfected AR/CHO#3 ...

J Med Chem 49: 716-26 (2006)


Article DOI: 10.1021/jm050293c
BindingDB Entry DOI: 10.7270/Q2P84952
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM18642
PNG
((2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-...)
Show SMILES C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1cccnc1C)c1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C21H22F3N5O/c1-13-12-29(20(30)27-19-5-4-8-26-15(19)3)14(2)11-28(13)17-7-6-16(10-25)18(9-17)21(22,23)24/h4-9,13-14H,11-12H2,1-3H3,(H,27,30)/t13-,14+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 680n/an/an/an/a7.8n/a



Astellas Pharma Inc.



Assay Description
Activities of the test compounds to inhibit androgen receptor mediated transcription induced by DHT were evaluated using stable transfected AR/CHO#3 ...

J Med Chem 49: 716-26 (2006)


Article DOI: 10.1021/jm050293c
BindingDB Entry DOI: 10.7270/Q2P84952
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM18651
PNG
((2R,5S)-N-(6-chloropyridin-3-yl)-4-[4-cyano-3-(tri...)
Show SMILES C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccc(Cl)nc1)c1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C20H19ClF3N5O/c1-12-11-29(19(30)27-15-4-6-18(21)26-9-15)13(2)10-28(12)16-5-3-14(8-25)17(7-16)20(22,23)24/h3-7,9,12-13H,10-11H2,1-2H3,(H,27,30)/t12-,13+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 730n/an/an/an/a7.8n/a



Astellas Pharma Inc.



Assay Description
Activities of the test compounds to inhibit androgen receptor mediated transcription induced by DHT were evaluated using stable transfected AR/CHO#3 ...

J Med Chem 49: 716-26 (2006)


Article DOI: 10.1021/jm050293c
BindingDB Entry DOI: 10.7270/Q2P84952
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM18525
PNG
(Bicalutamide | CHEMBL409 | N-[4-cyano-3-(trifluoro...)
Show SMILES CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents

Similars
DrugBank
PDB
Article
PubMed
n/an/a 890n/an/an/an/a7.8n/a



Astellas Pharma Inc.



Assay Description
Activities of the test compounds to inhibit androgen receptor mediated transcription induced by DHT were evaluated using stable transfected AR/CHO#3 ...

J Med Chem 49: 716-26 (2006)


Article DOI: 10.1021/jm050293c
BindingDB Entry DOI: 10.7270/Q2P84952
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Androgen receptor


(Homo sapiens (Human))		BDBM18640
PNG
((2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-...)
Show SMILES C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1cncnc1)c1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C19H19F3N6O/c1-12-10-28(18(29)26-15-7-24-11-25-8-15)13(2)9-27(12)16-4-3-14(6-23)17(5-16)19(20,21)22/h3-5,7-8,11-13H,9-10H2,1-2H3,(H,26,29)/t12-,13+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.00E+3n/an/an/an/a7.8n/a



Astellas Pharma Inc.



Assay Description
Activities of the test compounds to inhibit androgen receptor mediated transcription induced by DHT were evaluated using stable transfected AR/CHO#3 ...

J Med Chem 49: 716-26 (2006)


Article DOI: 10.1021/jm050293c
BindingDB Entry DOI: 10.7270/Q2P84952
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM18647
PNG
((2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(4...)
Show SMILES COc1ccncc1NC(=O)N1C[C@H](C)N(C[C@H]1C)c1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C21H22F3N5O2/c1-13-12-29(20(30)27-18-10-26-7-6-19(18)31-3)14(2)11-28(13)16-5-4-15(9-25)17(8-16)21(22,23)24/h4-8,10,13-14H,11-12H2,1-3H3,(H,27,30)/t13-,14+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.20E+3n/an/an/an/a7.8n/a



Astellas Pharma Inc.



Assay Description
Activities of the test compounds to inhibit androgen receptor mediated transcription induced by DHT were evaluated using stable transfected AR/CHO#3 ...

J Med Chem 49: 716-26 (2006)


Article DOI: 10.1021/jm050293c
BindingDB Entry DOI: 10.7270/Q2P84952
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM18657
PNG
((2S,5R)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-...)
Show SMILES C[C@H]1CN([C@H](C)CN1C(=O)Nc1ccc(nc1)C(F)(F)F)c1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C21H19F6N5O/c1-12-11-32(19(33)30-15-4-6-18(29-9-15)21(25,26)27)13(2)10-31(12)16-5-3-14(8-28)17(7-16)20(22,23)24/h3-7,9,12-13H,10-11H2,1-2H3,(H,30,33)/t12-,13+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.30E+3n/an/an/an/a7.8n/a



Astellas Pharma Inc.



Assay Description
Activities of the test compounds to inhibit androgen receptor mediated transcription induced by DHT were evaluated using stable transfected AR/CHO#3 ...

J Med Chem 49: 716-26 (2006)


Article DOI: 10.1021/jm050293c
BindingDB Entry DOI: 10.7270/Q2P84952
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM18639
PNG
((2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-...)
Show SMILES C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccncn1)c1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C19H19F3N6O/c1-12-10-28(18(29)26-17-5-6-24-11-25-17)13(2)9-27(12)15-4-3-14(8-23)16(7-15)19(20,21)22/h3-7,11-13H,9-10H2,1-2H3,(H,24,25,26,29)/t12-,13+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.60E+3n/an/an/an/a7.8n/a



Astellas Pharma Inc.



Assay Description
Activities of the test compounds to inhibit androgen receptor mediated transcription induced by DHT were evaluated using stable transfected AR/CHO#3 ...

J Med Chem 49: 716-26 (2006)


Article DOI: 10.1021/jm050293c
BindingDB Entry DOI: 10.7270/Q2P84952
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM18635
PNG
((2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-...)
Show SMILES C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccccn1)c1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C20H20F3N5O/c1-13-12-28(19(29)26-18-5-3-4-8-25-18)14(2)11-27(13)16-7-6-15(10-24)17(9-16)20(21,22)23/h3-9,13-14H,11-12H2,1-2H3,(H,25,26,29)/t13-,14+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 7.80E+3n/an/an/an/a7.8n/a



Astellas Pharma Inc.



Assay Description
Activities of the test compounds to inhibit androgen receptor mediated transcription induced by DHT were evaluated using stable transfected AR/CHO#3 ...

J Med Chem 49: 716-26 (2006)


Article DOI: 10.1021/jm050293c
BindingDB Entry DOI: 10.7270/Q2P84952
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM18641
PNG
(3-{[(2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-...)
Show SMILES C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccc[n+]([O-])c1)c1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C20H20F3N5O2/c1-13-11-28(19(29)25-16-4-3-7-26(30)12-16)14(2)10-27(13)17-6-5-15(9-24)18(8-17)20(21,22)23/h3-8,12-14H,10-11H2,1-2H3,(H,25,29)/t13-,14+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+4n/an/an/an/a7.8n/a



Astellas Pharma Inc.



Assay Description
Activities of the test compounds to inhibit androgen receptor mediated transcription induced by DHT were evaluated using stable transfected AR/CHO#3 ...

J Med Chem 49: 716-26 (2006)


Article DOI: 10.1021/jm050293c
BindingDB Entry DOI: 10.7270/Q2P84952
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM18658
PNG
((2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-N-(6...)
Show SMILES C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccc(=O)[nH]c1)c1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C20H20F3N5O2/c1-12-11-28(19(30)26-15-4-6-18(29)25-9-15)13(2)10-27(12)16-5-3-14(8-24)17(7-16)20(21,22)23/h3-7,9,12-13H,10-11H2,1-2H3,(H,25,29)(H,26,30)/t12-,13+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>1.00E+4n/an/an/an/a7.8n/a



Astellas Pharma Inc.



Assay Description
Activities of the test compounds to inhibit androgen receptor mediated transcription induced by DHT were evaluated using stable transfected AR/CHO#3 ...

J Med Chem 49: 716-26 (2006)


Article DOI: 10.1021/jm050293c
BindingDB Entry DOI: 10.7270/Q2P84952
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM18638
PNG
((2R,5S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-2,5-...)
Show SMILES C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ncccn1)c1ccc(C#N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C19H19F3N6O/c1-12-11-28(18(29)26-17-24-6-3-7-25-17)13(2)10-27(12)15-5-4-14(9-23)16(8-15)19(20,21)22/h3-8,12-13H,10-11H2,1-2H3,(H,24,25,26,29)/t12-,13+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/a7.8n/a



Astellas Pharma Inc.



Assay Description
Activities of the test compounds to inhibit androgen receptor mediated transcription induced by DHT were evaluated using stable transfected AR/CHO#3 ...

J Med Chem 49: 716-26 (2006)


Article DOI: 10.1021/jm050293c
BindingDB Entry DOI: 10.7270/Q2P84952
More data for this
Ligand-Target Pair