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Compile Data Set for Download or QSAR

Found 10 hits of ph data with Target = 'Adrenergic receptor alpha-2'   
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
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50027058
PNG
((1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,1...)
Show SMILES COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19-/m0/s1
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PC sid
UniChem

Patents


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n/an/a 3.40E+5n/an/an/an/a5.0n/a


TBA

Assay Description
Alpha-2 adrenergic receptor binding activity was determined displacement of [3H]-yohimbine in 50 mM phosphate buffer pH 5.0/Tween 20 where the polyme...


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50013515
PNG
((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...)
Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1
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PC cid
PC sid
UniChem

Patents


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n/an/a 1.80E+3n/an/an/an/a5.0n/a


TBA

Assay Description
Alpha-2 adrenergic receptor binding activity was determined by displacement of [3H]yohimbine in 50 mM phosphate buffer pH 5.0/Tween 20 where the poly...


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50013515
PNG
((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...)
Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1
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CHEMBL
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PC cid
PC sid
UniChem

Patents


Similars

n/an/a 3.98E+5n/an/an/an/a5.0n/a


TBA

Assay Description
Compound was evaluated for the displacement of [3H]yohimbine in 50 mM phosphate buffer pH 5.0/Tween 20 where the polymer is anti-yohimbin MIPs for Al...


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50027058
PNG
((1S,2S,4aR,13bS,14aS)-2-Hydroxy-1,2,3,4,4a,5,7,8,1...)
Show SMILES COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19-/m0/s1
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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

n/an/a 8.71E+5n/an/an/an/a5.0n/a


TBA

Assay Description
Compound was evaluated for the displacement of [3H]yohimbine in 50 mM phosphate buffer pH 5.0/Tween 20 where the polymer is anti-yohimbin MIPs for Al...


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM215805
PNG
(US9303019, 20)
Show SMILES CC1CCC(Nc2ccc(Cl)c3CCCc23)=N1
Show InChI InChI=1S/C14H17ClN2/c1-9-5-8-14(16-9)17-13-7-6-12(15)10-3-2-4-11(10)13/h6-7,9H,2-5,8H2,1H3,(H,16,17)
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PC cid
PC sid
UniChem
US Patent
>1.00E+5n/an/an/an/an/an/a7.5n/a



UNIVERSITE DE STRASBOURG

US Patent


Assay Description
The membrane preparation was prepared as described by Newman-Tancredi, A.; Nicolas, J,-P.; Audinot, V.; Gavaudan, S.; Verriele, L.; Touzard, M.; Chap...


US Patent US9303019 (2016)


BindingDB Entry DOI: 10.7270/Q2N878NR
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM215803
PNG
(US9303019, 9)
Show SMILES CC1CN=C(C1)Nc1ccc(C)c2CCCc12
Show InChI InChI=1S/C15H20N2/c1-10-8-15(16-9-10)17-14-7-6-11(2)12-4-3-5-13(12)14/h6-7,10H,3-5,8-9H2,1-2H3,(H,16,17)
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PC cid
PC sid
UniChem
US Patent
>1.00E+5n/an/an/an/an/an/a7.5n/a



UNIVERSITE DE STRASBOURG

US Patent


Assay Description
The membrane preparation was prepared as described by Newman-Tancredi, A.; Nicolas, J,-P.; Audinot, V.; Gavaudan, S.; Verriele, L.; Touzard, M.; Chap...


US Patent US9303019 (2016)


BindingDB Entry DOI: 10.7270/Q2N878NR
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM215802
PNG
(US9303019, 8)
Show SMILES CC1CN=C(C1)Nc1ccc(Cl)c2CCCc12
Show InChI InChI=1S/C14H17ClN2/c1-9-7-14(16-8-9)17-13-6-5-12(15)10-3-2-4-11(10)13/h5-6,9H,2-4,7-8H2,1H3,(H,16,17)
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
>1.00E+5n/an/an/an/an/an/a7.5n/a



UNIVERSITE DE STRASBOURG

US Patent


Assay Description
The membrane preparation was prepared as described by Newman-Tancredi, A.; Nicolas, J,-P.; Audinot, V.; Gavaudan, S.; Verriele, L.; Touzard, M.; Chap...


US Patent US9303019 (2016)


BindingDB Entry DOI: 10.7270/Q2N878NR
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM215801
PNG
(US9303019, 5)
Show SMILES CC1CCC(Nc2cccc3CCCc23)=N1
Show InChI InChI=1S/C14H18N2/c1-10-8-9-14(15-10)16-13-7-3-5-11-4-2-6-12(11)13/h3,5,7,10H,2,4,6,8-9H2,1H3,(H,15,16)
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
>1.00E+5n/an/an/an/an/an/a7.5n/a



UNIVERSITE DE STRASBOURG

US Patent


Assay Description
The membrane preparation was prepared as described by Newman-Tancredi, A.; Nicolas, J,-P.; Audinot, V.; Gavaudan, S.; Verriele, L.; Touzard, M.; Chap...


US Patent US9303019 (2016)


BindingDB Entry DOI: 10.7270/Q2N878NR
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM215800
PNG
(US9303019, 1)
Show SMILES CC1CN=C(C1)Nc1cccc(Cl)c1C
Show InChI InChI=1S/C12H15ClN2/c1-8-6-12(14-7-8)15-11-5-3-4-10(13)9(11)2/h3-5,8H,6-7H2,1-2H3,(H,14,15)
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UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
>1.00E+5n/an/an/an/an/an/a7.5n/a



UNIVERSITE DE STRASBOURG

US Patent


Assay Description
The membrane preparation was prepared as described by Newman-Tancredi, A.; Nicolas, J,-P.; Audinot, V.; Gavaudan, S.; Verriele, L.; Touzard, M.; Chap...


US Patent US9303019 (2016)


BindingDB Entry DOI: 10.7270/Q2N878NR
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM215804
PNG
(US9303019, 13)
Show SMILES CC1CCC(Nc2ccccc2Cl)=N1
Show InChI InChI=1S/C11H13ClN2/c1-8-6-7-11(13-8)14-10-5-3-2-4-9(10)12/h2-5,8H,6-7H2,1H3,(H,13,14)
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
>1.00E+5n/an/an/an/an/an/a7.5n/a



UNIVERSITE DE STRASBOURG

US Patent


Assay Description
The membrane preparation was prepared as described by Newman-Tancredi, A.; Nicolas, J,-P.; Audinot, V.; Gavaudan, S.; Verriele, L.; Touzard, M.; Chap...


US Patent US9303019 (2016)


BindingDB Entry DOI: 10.7270/Q2N878NR
More data for this
Ligand-Target Pair