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Compile Data Set for Download or QSAR

Found 209 hits with Last Name = 'höglund' and Initial = 'i'   
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
Alpha-2C adrenergic receptor


(Homo sapiens (Human))		BDBM50196109
PNG
((2,3-dimethylquinolin-4-yl)-[4-(octahydro-2H-pyrid...)
Show SMILES Cc1nc2ccccc2c(Nc2ccc(cc2)N2CCN3CCCCC3C2)c1C
Show InChI InChI=1S/C25H30N4/c1-18-19(2)26-24-9-4-3-8-23(24)25(18)27-20-10-12-21(13-11-20)29-16-15-28-14-6-5-7-22(28)17-29/h3-4,8-13,22H,5-7,14-17H2,1-2H3,(H,26,27)
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 2.30n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells

J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM309987
PNG
(N-((S)-1-(3-(3-chloro-4-cyano-2-methylphenyl)-1H-p...)
Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1C)NC(=O)c1csc(n1)C(C)O
Show InChI InChI=1S/C20H20ClN5O2S/c1-11(23-19(28)17-10-29-20(24-17)13(3)27)9-26-7-6-16(25-26)15-5-4-14(8-22)18(21)12(15)2/h4-7,10-11,13,27H,9H2,1-3H3,(H,23,28)/t11-,13?/m0/s1
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 3n/an/an/an/an/an/an/an/a



ORION CORPORATION

US Patent


Assay Description
Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...

US Patent US9657003 (2017)


BindingDB Entry DOI: 10.7270/Q2NS0X0M
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM508526
PNG
(N-((S)-1-(3-(3-chloro-4-cyano-2-methylphenyl)-1H-p...)
Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1csc(CCO)n1 |r|
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 3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2DJ5JSP
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))		BDBM50196123
PNG
(CHEMBL218675 | {2-methyl-4-[4-(3,3,4-trimethylpipe...)
Show SMILES CN1CCN(CC1(C)C)c1ccc(Nc2c(CO)c(C)nc3ccccc23)cc1
Show InChI InChI=1S/C24H30N4O/c1-17-21(15-29)23(20-7-5-6-8-22(20)25-17)26-18-9-11-19(12-10-18)28-14-13-27(4)24(2,3)16-28/h5-12,29H,13-16H2,1-4H3,(H,25,26)
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 3.80n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells

J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))		BDBM50196117
PNG
(1-{4-[4-(3,4-dimethylpiperazin-1-yl)phenylamino]-2...)
Show SMILES CC(O)c1c(C)nc2ccccc2c1Nc1ccc(cc1)N1CCN(C)C(C)C1
Show InChI InChI=1S/C24H30N4O/c1-16-15-28(14-13-27(16)4)20-11-9-19(10-12-20)26-24-21-7-5-6-8-22(21)25-17(2)23(24)18(3)29/h5-12,16,18,29H,13-15H2,1-4H3,(H,25,26)
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 4.90n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells

J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))		BDBM50196142
PNG
(CHEMBL218457 | [4-(3,4-dimethylpiperazin-1-yl)phen...)
Show SMILES CC1CN(CCN1C)c1ccc(Nc2c(c(C)nc3ccccc23)-c2ccccc2)cc1
Show InChI InChI=1S/C28H30N4/c1-20-19-32(18-17-31(20)3)24-15-13-23(14-16-24)30-28-25-11-7-8-12-26(25)29-21(2)27(28)22-9-5-4-6-10-22/h4-16,20H,17-19H2,1-3H3,(H,29,30)
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 5n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells

J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))		BDBM50196132
PNG
(CHEMBL217203 | [4-(3,4-dimethylpiperazin-1-yl)phen...)
Show SMILES CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3c(C)c(C)ccc23)cc1
Show InChI InChI=1S/C25H32N4/c1-16-7-12-23-24(18(16)3)26-20(5)19(4)25(23)27-21-8-10-22(11-9-21)29-14-13-28(6)17(2)15-29/h7-12,17H,13-15H2,1-6H3,(H,26,27)
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 5n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells

J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))		BDBM50196139
PNG
((3-methylquinolin-4-yl)-[4-(3,3,4-trimethylpiperaz...)
Show SMILES CN1CCN(CC1(C)C)c1ccc(Nc2c(C)cnc3ccccc23)cc1
Show InChI InChI=1S/C23H28N4/c1-17-15-24-21-8-6-5-7-20(21)22(17)25-18-9-11-19(12-10-18)27-14-13-26(4)23(2,3)16-27/h5-12,15H,13-14,16H2,1-4H3,(H,24,25)
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 5.40n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells

J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))		BDBM50196107
PNG
(CHEMBL216464 | {7-chloro-4-[4-(3,3,4-trimethylpipe...)
Show SMILES CN1CCN(CC1(C)C)c1ccc(Nc2c(CO)cnc3cc(Cl)ccc23)cc1
Show InChI InChI=1S/C23H27ClN4O/c1-23(2)15-28(11-10-27(23)3)19-7-5-18(6-8-19)26-22-16(14-29)13-25-21-12-17(24)4-9-20(21)22/h4-9,12-13,29H,10-11,14-15H2,1-3H3,(H,25,26)
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 5.90n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells

J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM309973
PNG
((S)-N-(1-(3-(4-cyano-3-methylphenyl)-1H-pyrazol-1-...)
Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(C)c1)NC(=O)c1cc(n[nH]1)-c1ccco1
Show InChI InChI=1S/C22H20N6O2/c1-14-10-16(5-6-17(14)12-23)18-7-8-28(27-18)13-15(2)24-22(29)20-11-19(25-26-20)21-4-3-9-30-21/h3-11,15H,13H2,1-2H3,(H,24,29)(H,25,26)/t15-/m0/s1
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 6n/an/an/an/an/an/an/an/a


TBA

Assay Description
Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2DJ5JSP
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM309973
PNG
((S)-N-(1-(3-(4-cyano-3-methylphenyl)-1H-pyrazol-1-...)
Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(C)c1)NC(=O)c1cc(n[nH]1)-c1ccco1
Show InChI InChI=1S/C22H20N6O2/c1-14-10-16(5-6-17(14)12-23)18-7-8-28(27-18)13-15(2)24-22(29)20-11-19(25-26-20)21-4-3-9-30-21/h3-11,15H,13H2,1-2H3,(H,24,29)(H,25,26)/t15-/m0/s1
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 6n/an/an/an/an/an/an/an/a



ORION CORPORATION

US Patent


Assay Description
Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...

US Patent US9657003 (2017)


BindingDB Entry DOI: 10.7270/Q2NS0X0M
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))		BDBM50196118
PNG
(CHEMBL268217 | {4-[4-(3,3,4-trimethylpiperazin-1-y...)
Show SMILES CN1CCN(CC1(C)C)c1ccc(Nc2c(CO)cnc3ccccc23)cc1
Show InChI InChI=1S/C23H28N4O/c1-23(2)16-27(13-12-26(23)3)19-10-8-18(9-11-19)25-22-17(15-28)14-24-21-7-5-4-6-20(21)22/h4-11,14,28H,12-13,15-16H2,1-3H3,(H,24,25)
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 6.40n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells

J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))		BDBM50196146
PNG
(CHEMBL217177 | [4-(3,4-dimethylpiperazin-1-yl)phen...)
Show SMILES CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3c(C)cccc23)cc1
Show InChI InChI=1S/C24H30N4/c1-16-7-6-8-22-23(16)25-19(4)18(3)24(22)26-20-9-11-21(12-10-20)28-14-13-27(5)17(2)15-28/h6-12,17H,13-15H2,1-5H3,(H,25,26)
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 6.90n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells

J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))		BDBM50196129
PNG
(CHEMBL214996 | {4-[4-(3,4-dimethylpiperazin-1-yl)p...)
Show SMILES CC1CN(CCN1C)c1ccc(Nc2c(CO)c(C)nc3ccccc23)cc1
Show InChI InChI=1S/C23H28N4O/c1-16-14-27(13-12-26(16)3)19-10-8-18(9-11-19)25-23-20-6-4-5-7-22(20)24-17(2)21(23)15-28/h4-11,16,28H,12-15H2,1-3H3,(H,24,25)
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 7.5n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells

J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))		BDBM50196145
PNG
((R)-[4-(3,4-dimethylpiperazin-1-yl)phenyl]-(2,3,7,...)
Show SMILES C[C@@H]1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3c(C)c(C)ccc23)cc1
Show InChI InChI=1S/C25H32N4/c1-16-7-12-23-24(18(16)3)26-20(5)19(4)25(23)27-21-8-10-22(11-9-21)29-14-13-28(6)17(2)15-29/h7-12,17H,13-15H2,1-6H3,(H,26,27)/t17-/m1/s1
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 7.70n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells

J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM309982
PNG
((S)-N-(1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-...)
Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1cc([nH]n1)-c1csc(C)n1
Show InChI InChI=1S/C21H18ClN7OS/c1-12(24-21(30)19-8-18(26-27-19)20-11-31-13(2)25-20)10-29-6-5-17(28-29)14-3-4-15(9-23)16(22)7-14/h3-8,11-12H,10H2,1-2H3,(H,24,30)(H,26,27)/t12-/m0/s1
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 8n/an/an/an/an/an/an/an/a


TBA

Assay Description
Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2DJ5JSP
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM309982
PNG
((S)-N-(1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-...)
Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1cc([nH]n1)-c1csc(C)n1
Show InChI InChI=1S/C21H18ClN7OS/c1-12(24-21(30)19-8-18(26-27-19)20-11-31-13(2)25-20)10-29-6-5-17(28-29)14-3-4-15(9-23)16(22)7-14/h3-8,11-12H,10H2,1-2H3,(H,24,30)(H,26,27)/t12-/m0/s1
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 8n/an/an/an/an/an/an/an/a



ORION CORPORATION

US Patent


Assay Description
Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...

US Patent US9657003 (2017)


BindingDB Entry DOI: 10.7270/Q2NS0X0M
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))		BDBM50418050
PNG
(CHEMBL1689423)
Show SMILES CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3cc(Cl)ccc23)cc1
Show InChI InChI=1S/C23H27ClN4/c1-15-14-28(12-11-27(15)4)20-8-6-19(7-9-20)26-23-16(2)17(3)25-22-13-18(24)5-10-21(22)23/h5-10,13,15H,11-12,14H2,1-4H3,(H,25,26)
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 8.30n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells

J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))		BDBM50196125
PNG
((R)-[4-(3,4-dimethylpiperazin-1-yl)phenyl]-(2,3,7-...)
Show SMILES C[C@@H]1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3cc(C)ccc23)cc1
Show InChI InChI=1S/C24H30N4/c1-16-6-11-22-23(14-16)25-19(4)18(3)24(22)26-20-7-9-21(10-8-20)28-13-12-27(5)17(2)15-28/h6-11,14,17H,12-13,15H2,1-5H3,(H,25,26)/t17-/m1/s1
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 8.30n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells

J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))		BDBM50196147
PNG
((3-ethyl-2,8-dimethylquinolin-4-yl)-[4-(4-methyl-[...)
Show SMILES CCc1c(C)nc2c(C)cccc2c1Nc1ccc(cc1)N1CCCN(C)CC1
Show InChI InChI=1S/C25H32N4/c1-5-22-19(3)26-24-18(2)8-6-9-23(24)25(22)27-20-10-12-21(13-11-20)29-15-7-14-28(4)16-17-29/h6,8-13H,5,7,14-17H2,1-4H3,(H,26,27)
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 8.5n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells

J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))		BDBM50196131
PNG
(CHEMBL217202 | [4-(3,4-dimethylpiperazin-1-yl)phen...)
Show SMILES CC1CN(CCN1C)c1ccc(Nc2c(C)cnc3ccccc23)cc1
Show InChI InChI=1S/C22H26N4/c1-16-14-23-21-7-5-4-6-20(21)22(16)24-18-8-10-19(11-9-18)26-13-12-25(3)17(2)15-26/h4-11,14,17H,12-13,15H2,1-3H3,(H,23,24)
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 8.5n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells

J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))		BDBM50196126
PNG
((R)-{4-[4-(3,4-dimethylpiperazin-1-yl)phenylamino]...)
Show SMILES C[C@@H]1CN(CCN1C)c1ccc(Nc2c(C)c(CO)nc3ccccc23)cc1
Show InChI InChI=1S/C23H28N4O/c1-16-14-27(13-12-26(16)3)19-10-8-18(9-11-19)24-23-17(2)22(15-28)25-21-7-5-4-6-20(21)23/h4-11,16,28H,12-15H2,1-3H3,(H,24,25)/t16-/m1/s1
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 9n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells

J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))		BDBM50196116
PNG
((R)-{4-[4-(3,4-dimethylpiperazin-1-yl)phenylamino]...)
Show SMILES C[C@@H]1CN(CCN1C)c1ccc(Nc2c(CO)cnc3ccccc23)cc1
Show InChI InChI=1S/C22H26N4O/c1-16-14-26(12-11-25(16)2)19-9-7-18(8-10-19)24-22-17(15-27)13-23-21-6-4-3-5-20(21)22/h3-10,13,16,27H,11-12,14-15H2,1-2H3,(H,23,24)/t16-/m1/s1
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 9.20n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells

J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM508530
PNG
((R)-N-(2-(3-(4-cyano-3,5-difluorophenyl)-1H-pyrazo...)
Show SMILES C[C@H](Cn1ccc(n1)-c1cc(F)c(C#N)c(F)c1)NC(=O)c1csc(CC#N)n1 |r|
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 12n/an/an/an/an/an/an/an/a


TBA

Assay Description
Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2DJ5JSP
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM309988
PNG
((S)-N-(1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-...)
Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1csc(n1)-c1cn[nH]c1
Show InChI InChI=1S/C20H16ClN7OS/c1-12(25-19(29)18-11-30-20(26-18)15-8-23-24-9-15)10-28-5-4-17(27-28)13-2-3-14(7-22)16(21)6-13/h2-6,8-9,11-12H,10H2,1H3,(H,23,24)(H,25,29)/t12-/m0/s1
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 12n/an/an/an/an/an/an/an/a


TBA

Assay Description
Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2DJ5JSP
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM309990
PNG
((R)-N-(2-(3-(4-cyano-3,5-difluorophenyl)-1H-pyrazo...)
Show SMILES C[C@H](CNC(=O)c1csc(CC#N)n1)n1ccc(n1)-c1cc(F)c(C#N)c(F)c1
Show InChI InChI=1S/C19H14F2N6OS/c1-11(9-24-19(28)17-10-29-18(25-17)2-4-22)27-5-3-16(26-27)12-6-14(20)13(8-23)15(21)7-12/h3,5-7,10-11H,2,9H2,1H3,(H,24,28)/t11-/m1/s1
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 12n/an/an/an/an/an/an/an/a



ORION CORPORATION

US Patent


Assay Description
Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...

US Patent US9657003 (2017)


BindingDB Entry DOI: 10.7270/Q2NS0X0M
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM309988
PNG
((S)-N-(1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-...)
Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1csc(n1)-c1cn[nH]c1
Show InChI InChI=1S/C20H16ClN7OS/c1-12(25-19(29)18-11-30-20(26-18)15-8-23-24-9-15)10-28-5-4-17(27-28)13-2-3-14(7-22)16(21)6-13/h2-6,8-9,11-12H,10H2,1H3,(H,23,24)(H,25,29)/t12-/m0/s1
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 12n/an/an/an/an/an/an/an/a



ORION CORPORATION

US Patent


Assay Description
Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...

US Patent US9657003 (2017)


BindingDB Entry DOI: 10.7270/Q2NS0X0M
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM508521
PNG
((S)-N-(1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-...)
Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1nc(no1)-c1cccnc1 |r|
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 13n/an/an/an/an/an/an/an/a


TBA

Assay Description
Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2DJ5JSP
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM309981
PNG
((S)-N-(1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-...)
Show SMILES CCc1noc(n1)C(=O)N[C@@H](C)Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1
Show InChI InChI=1S/C18H17ClN6O2/c1-3-16-22-18(27-24-16)17(26)21-11(2)10-25-7-6-15(23-25)12-4-5-13(9-20)14(19)8-12/h4-8,11H,3,10H2,1-2H3,(H,21,26)/t11-/m0/s1
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 13n/an/an/an/an/an/an/an/a



ORION CORPORATION

US Patent


Assay Description
Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...

US Patent US9657003 (2017)


BindingDB Entry DOI: 10.7270/Q2NS0X0M
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM309995
PNG
((S)-N-(1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-...)
Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1[nH]nc2CCOCc12
Show InChI InChI=1S/C20H19ClN6O2/c1-12(23-20(28)19-15-11-29-7-5-18(15)24-25-19)10-27-6-4-17(26-27)13-2-3-14(9-22)16(21)8-13/h2-4,6,8,12H,5,7,10-11H2,1H3,(H,23,28)(H,24,25)/t12-/m0/s1
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 14n/an/an/an/an/an/an/an/a



ORION CORPORATION

US Patent


Assay Description
Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...

US Patent US9657003 (2017)


BindingDB Entry DOI: 10.7270/Q2NS0X0M
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM508534
PNG
((S)-N-(1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-...)
Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1n[nH]c2CCOCc12 |r|
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 14n/an/an/an/an/an/an/an/a


TBA

Assay Description
Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2DJ5JSP
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM508519
PNG
(N-((S)-1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-...)
Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1cc(CCO)n[nH]1 |r|
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 14n/an/an/an/an/an/an/an/a


TBA

Assay Description
Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2DJ5JSP
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM309979
PNG
(N-((S)-1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-...)
Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1cc(n[nH]1)C(C)O
Show InChI InChI=1S/C19H19ClN6O2/c1-11(22-19(28)18-8-17(12(2)27)23-24-18)10-26-6-5-16(25-26)13-3-4-14(9-21)15(20)7-13/h3-8,11-12,27H,10H2,1-2H3,(H,22,28)(H,23,24)/t11-,12?/m0/s1
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 14n/an/an/an/an/an/an/an/a



ORION CORPORATION

US Patent


Assay Description
Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...

US Patent US9657003 (2017)


BindingDB Entry DOI: 10.7270/Q2NS0X0M
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))		BDBM50196113
PNG
(CHEMBL262901 | [4-(3,4-dimethylpiperazin-1-yl)phen...)
Show SMILES CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3cc(C)ccc23)cc1
Show InChI InChI=1S/C24H30N4/c1-16-6-11-22-23(14-16)25-19(4)18(3)24(22)26-20-7-9-21(10-8-20)28-13-12-27(5)17(2)15-28/h6-11,14,17H,12-13,15H2,1-5H3,(H,25,26)
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 15n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells

J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))		BDBM50196120
PNG
(CHEMBL216727 | [4-(3,4-dimethylpiperazin-1-yl)phen...)
Show SMILES CC1CN(CCN1C)c1ccc(Nc2c(C)c(C)nc3ccc(F)cc23)cc1
Show InChI InChI=1S/C23H27FN4/c1-15-14-28(12-11-27(15)4)20-8-6-19(7-9-20)26-23-16(2)17(3)25-22-10-5-18(24)13-21(22)23/h5-10,13,15H,11-12,14H2,1-4H3,(H,25,26)
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 16n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells

J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM309992
PNG
((S)-N-{1-[3-(3-Chloro-4-cyano-5-fluorophenyl)-1H-p...)
Show SMILES C[C@@H](Cn1ccc(n1)-c1cc(F)c(C#N)c(Cl)c1)NC(=O)c1c[nH]c(C)n1
Show InChI InChI=1S/C18H16ClFN6O/c1-10(23-18(27)17-8-22-11(2)24-17)9-26-4-3-16(25-26)12-5-14(19)13(7-21)15(20)6-12/h3-6,8,10H,9H2,1-2H3,(H,22,24)(H,23,27)/t10-/m0/s1
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 16n/an/an/an/an/an/an/an/a


TBA

Assay Description
Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2DJ5JSP
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM309992
PNG
((S)-N-{1-[3-(3-Chloro-4-cyano-5-fluorophenyl)-1H-p...)
Show SMILES C[C@@H](Cn1ccc(n1)-c1cc(F)c(C#N)c(Cl)c1)NC(=O)c1c[nH]c(C)n1
Show InChI InChI=1S/C18H16ClFN6O/c1-10(23-18(27)17-8-22-11(2)24-17)9-26-4-3-16(25-26)12-5-14(19)13(7-21)15(20)6-12/h3-6,8,10H,9H2,1-2H3,(H,22,24)(H,23,27)/t10-/m0/s1
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 16n/an/an/an/an/an/an/an/a



ORION CORPORATION

US Patent


Assay Description
Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...

US Patent US9657003 (2017)


BindingDB Entry DOI: 10.7270/Q2NS0X0M
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM309976
PNG
((S)-3-acetyl-N-(1-(3-(3-chloro-4-cyanophenyl)-1H-p...)
Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1cc(n[nH]1)C(C)=O
Show InChI InChI=1S/C19H17ClN6O2/c1-11(22-19(28)18-8-17(12(2)27)23-24-18)10-26-6-5-16(25-26)13-3-4-14(9-21)15(20)7-13/h3-8,11H,10H2,1-2H3,(H,22,28)(H,23,24)/t11-/m0/s1
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 16n/an/an/an/an/an/an/an/a



ORION CORPORATION

US Patent


Assay Description
Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...

US Patent US9657003 (2017)


BindingDB Entry DOI: 10.7270/Q2NS0X0M
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM309976
PNG
((S)-3-acetyl-N-(1-(3-(3-chloro-4-cyanophenyl)-1H-p...)
Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1cc(n[nH]1)C(C)=O
Show InChI InChI=1S/C19H17ClN6O2/c1-11(22-19(28)18-8-17(12(2)27)23-24-18)10-26-6-5-16(25-26)13-3-4-14(9-21)15(20)7-13/h3-8,11H,10H2,1-2H3,(H,22,28)(H,23,24)/t11-/m0/s1
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 16n/an/an/an/an/an/an/an/a


TBA

Assay Description
Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2DJ5JSP
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM309983
PNG
(N-((R)-1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-...)
Show SMILES CC[C@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1cc(n[nH]1)C(C)O
Show InChI InChI=1S/C20H21ClN6O2/c1-3-15(23-20(29)19-9-18(12(2)28)24-25-19)11-27-7-6-17(26-27)13-4-5-14(10-22)16(21)8-13/h4-9,12,15,28H,3,11H2,1-2H3,(H,23,29)(H,24,25)/t12?,15-/m1/s1
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 17n/an/an/an/an/an/an/an/a



ORION CORPORATION

US Patent


Assay Description
Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...

US Patent US9657003 (2017)


BindingDB Entry DOI: 10.7270/Q2NS0X0M
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM508523
PNG
((S)-N-(1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-...)
Show SMILES C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1nc(C)no1 |r|
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 17n/an/an/an/an/an/an/an/a


TBA

Assay Description
Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2DJ5JSP
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM309980
PNG
(N-(2-(3-(4-cyano-3-methylphenyl)-1H-pyrazol-1-yl)e...)
Show SMILES Cc1cc(ccc1C#N)-c1ccn(CCNC(=O)c2cc(n[nH]2)-c2cccnc2)n1
Show InChI InChI=1S/C22H19N7O/c1-15-11-16(4-5-17(15)13-23)19-6-9-29(28-19)10-8-25-22(30)21-12-20(26-27-21)18-3-2-7-24-14-18/h2-7,9,11-12,14H,8,10H2,1H3,(H,25,30)(H,26,27)
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 18n/an/an/an/an/an/an/an/a



ORION CORPORATION

US Patent


Assay Description
Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...

US Patent US9657003 (2017)


BindingDB Entry DOI: 10.7270/Q2NS0X0M
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM309980
PNG
(N-(2-(3-(4-cyano-3-methylphenyl)-1H-pyrazol-1-yl)e...)
Show SMILES Cc1cc(ccc1C#N)-c1ccn(CCNC(=O)c2cc(n[nH]2)-c2cccnc2)n1
Show InChI InChI=1S/C22H19N7O/c1-15-11-16(4-5-17(15)13-23)19-6-9-29(28-19)10-8-25-22(30)21-12-20(26-27-21)18-3-2-7-24-14-18/h2-7,9,11-12,14H,8,10H2,1H3,(H,25,30)(H,26,27)
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 18n/an/an/an/an/an/an/an/a


TBA

Assay Description
Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2DJ5JSP
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM309993
PNG
((S)-N-(1-(3-(3-chloro-4-cyano-5-fluorophenyl)-1H-p...)
Show SMILES C[C@@H](Cn1ccc(n1)-c1cc(F)c(C#N)c(Cl)c1)NC(=O)c1cn2cccnc2n1
Show InChI InChI=1S/C20H15ClFN7O/c1-12(25-19(30)18-11-28-5-2-4-24-20(28)26-18)10-29-6-3-17(27-29)13-7-15(21)14(9-23)16(22)8-13/h2-8,11-12H,10H2,1H3,(H,25,30)/t12-/m0/s1
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 25n/an/an/an/an/an/an/an/a


TBA

Assay Description
Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2DJ5JSP
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM309993
PNG
((S)-N-(1-(3-(3-chloro-4-cyano-5-fluorophenyl)-1H-p...)
Show SMILES C[C@@H](Cn1ccc(n1)-c1cc(F)c(C#N)c(Cl)c1)NC(=O)c1cn2cccnc2n1
Show InChI InChI=1S/C20H15ClFN7O/c1-12(25-19(30)18-11-28-5-2-4-24-20(28)26-18)10-29-6-3-17(27-29)13-7-15(21)14(9-23)16(22)8-13/h2-8,11-12H,10H2,1H3,(H,25,30)/t12-/m0/s1
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 25n/an/an/an/an/an/an/an/a



ORION CORPORATION

US Patent


Assay Description
Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...

US Patent US9657003 (2017)


BindingDB Entry DOI: 10.7270/Q2NS0X0M
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))		BDBM50196136
PNG
((3-ethyl-2-methylquinolin-4-yl)-[4-(4-methylpipera...)
Show SMILES CCc1c(C)nc2ccccc2c1Nc1ccc(cc1)N1CCN(C)CC1
Show InChI InChI=1S/C23H28N4/c1-4-20-17(2)24-22-8-6-5-7-21(22)23(20)25-18-9-11-19(12-10-18)27-15-13-26(3)14-16-27/h5-12H,4,13-16H2,1-3H3,(H,24,25)
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 25n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells

J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM309978
PNG
(N-(2-(3-(3,4-dicyanophenyl)-1H-pyrazol-1-yl)ethyl)...)
Show SMILES O=C(NCCn1ccc(n1)-c1ccc(C#N)c(c1)C#N)c1cc(n[nH]1)-c1cccnc1
Show InChI InChI=1S/C22H16N8O/c23-12-16-4-3-15(10-18(16)13-24)19-5-8-30(29-19)9-7-26-22(31)21-11-20(27-28-21)17-2-1-6-25-14-17/h1-6,8,10-11,14H,7,9H2,(H,26,31)(H,27,28)
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 27n/an/an/an/an/an/an/an/a



ORION CORPORATION

US Patent


Assay Description
Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...

US Patent US9657003 (2017)


BindingDB Entry DOI: 10.7270/Q2NS0X0M
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM309978
PNG
(N-(2-(3-(3,4-dicyanophenyl)-1H-pyrazol-1-yl)ethyl)...)
Show SMILES O=C(NCCn1ccc(n1)-c1ccc(C#N)c(c1)C#N)c1cc(n[nH]1)-c1cccnc1
Show InChI InChI=1S/C22H16N8O/c23-12-16-4-3-15(10-18(16)13-24)19-5-8-30(29-19)9-7-26-22(31)21-11-20(27-28-21)17-2-1-6-25-14-17/h1-6,8,10-11,14H,7,9H2,(H,26,31)(H,27,28)
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 27n/an/an/an/an/an/an/an/a


TBA

Assay Description
Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2DJ5JSP
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))		BDBM50196135
PNG
(Acridin-9-yl-[4-(4-methyl-piperazin-1-yl)-phenyl]-...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1
Show InChI InChI=1S/C24H24N4/c1-27-14-16-28(17-15-27)19-12-10-18(11-13-19)25-24-20-6-2-4-8-22(20)26-23-9-5-3-7-21(23)24/h2-13H,14-17H2,1H3,(H,25,26)
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 28n/an/an/an/an/an/an/an/a



Juvantia Pharma Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells

J Med Chem 49: 6351-63 (2006)


Article DOI: 10.1021/jm060262x
BindingDB Entry DOI: 10.7270/Q2RB747B
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))		BDBM309986
PNG
((R)-N-(1-(3-(3-chloro-4-cyanophenyl)-1H-pyrazol-1-...)
Show SMILES C[C@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1csc(n1)N1CCOCC1
Show InChI InChI=1S/C21H21ClN6O2S/c1-14(24-20(29)19-13-31-21(25-19)27-6-8-30-9-7-27)12-28-5-4-18(26-28)15-2-3-16(11-23)17(22)10-15/h2-5,10,13-14H,6-9,12H2,1H3,(H,24,29)/t14-/m1/s1
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 29n/an/an/an/an/an/an/an/a



ORION CORPORATION

US Patent


Assay Description
Androgen receptor (AR) binding affinities of test compounds were studied in cytosolic lysates obtained from ventral prostates of castrated rats by co...

US Patent US9657003 (2017)


BindingDB Entry DOI: 10.7270/Q2NS0X0M
More data for this
Ligand-Target Pair
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