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Compile Data Set for Download or QSAR

Found 174 hits of ic50 data for polymerid = 1513,49000210,49000214,49000217,49000224,49000226   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adrenergic receptor alpha


(HUMAN)
BDBM50403738
PNG
(CHEMBL351483)
Show SMILES Cc1nc2ccc(Cl)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1
Show InChI InChI=1S/C22H20ClN3O2/c1-14-16(22(27)26-12-15(23)6-7-21(26)24-14)8-10-25-11-9-20-18(13-25)17-4-2-3-5-19(17)28-20/h2-7,12H,8-11,13H2,1H3
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n/an/a 0.214n/an/an/an/an/an/a



Janssen Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity at human Alpha-2A adrenergic receptor in CHO cells by [3H]rauwolscine (1 nM) displacement.


Bioorg Med Chem Lett 10: 71-4 (2000)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(HUMAN)
BDBM50403753
PNG
(CHEMBL162682)
Show SMILES Cc1nc2ccc(I)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1
Show InChI InChI=1S/C22H20IN3O2/c1-14-16(22(27)26-12-15(23)6-7-21(26)24-14)8-10-25-11-9-20-18(13-25)17-4-2-3-5-19(17)28-20/h2-7,12H,8-11,13H2,1H3
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n/an/a 0.240n/an/an/an/an/an/a



Janssen Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity at human Alpha-2A adrenergic receptor in CHO cells by [3H]rauwolscine (1 nM) displacement.


Bioorg Med Chem Lett 10: 71-4 (2000)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(HUMAN)
BDBM50403755
PNG
(CHEMBL163190)
Show SMILES Cc1nc2cccc(C)n2c(=O)c1CCN1CCc2oc3ccccc3c2C1
Show InChI InChI=1S/C23H23N3O2/c1-15-6-5-9-22-24-16(2)17(23(27)26(15)22)10-12-25-13-11-21-19(14-25)18-7-3-4-8-20(18)28-21/h3-9H,10-14H2,1-2H3
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n/an/a 0.288n/an/an/an/an/an/a



Janssen Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity at human Alpha-2A adrenergic receptor in CHO cells by [3H]rauwolscine (1 nM) displacement.


Bioorg Med Chem Lett 10: 71-4 (2000)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(HUMAN)
BDBM50403745
PNG
(CHEMBL162490)
Show SMILES COc1cccn2c1nc(C)c(CCN1CCc3oc4ccccc4c3C1)c2=O
Show InChI InChI=1S/C23H23N3O3/c1-15-16(23(27)26-11-5-8-21(28-2)22(26)24-15)9-12-25-13-10-20-18(14-25)17-6-3-4-7-19(17)29-20/h3-8,11H,9-10,12-14H2,1-2H3
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n/an/a 0.295n/an/an/an/an/an/a



Janssen Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity at human Alpha-2A adrenergic receptor in CHO cells by [3H]rauwolscine (1 nM) displacement.


Bioorg Med Chem Lett 10: 71-4 (2000)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(HUMAN)
BDBM50403748
PNG
(CHEMBL162232)
Show SMILES Cc1cc(C)n2c(c1)nc(C)c(CCN1CCc3oc4ccccc4c3C1)c2=O
Show InChI InChI=1S/C24H25N3O2/c1-15-12-16(2)27-23(13-15)25-17(3)18(24(27)28)8-10-26-11-9-22-20(14-26)19-6-4-5-7-21(19)29-22/h4-7,12-13H,8-11,14H2,1-3H3
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n/an/a 0.339n/an/an/an/an/an/a



Janssen Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity at human Alpha-2A adrenergic receptor in CHO cells by [3H]rauwolscine (1 nM) displacement.


Bioorg Med Chem Lett 10: 71-4 (2000)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(HUMAN)
BDBM50403752
PNG
(CHEMBL162370)
Show SMILES Cc1ccc2nc(C)c(CCN3CCc4oc5ccccc5c4C3)c(=O)n2c1
Show InChI InChI=1S/C23H23N3O2/c1-15-7-8-22-24-16(2)17(23(27)26(22)13-15)9-11-25-12-10-21-19(14-25)18-5-3-4-6-20(18)28-21/h3-8,13H,9-12,14H2,1-2H3
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n/an/a 0.347n/an/an/an/an/an/a



Janssen Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity at human Alpha-2A adrenergic receptor in CHO cells by [3H]rauwolscine (1 nM) displacement.


Bioorg Med Chem Lett 10: 71-4 (2000)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(HUMAN)
BDBM50403740
PNG
(CHEMBL165350)
Show SMILES Cc1nc2ccc(Br)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1
Show InChI InChI=1S/C22H20BrN3O2/c1-14-16(22(27)26-12-15(23)6-7-21(26)24-14)8-10-25-11-9-20-18(13-25)17-4-2-3-5-19(17)28-20/h2-7,12H,8-11,13H2,1H3
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n/an/a 0.355n/an/an/an/an/an/a



Janssen Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity at human Alpha-2A adrenergic receptor in CHO cells by [3H]rauwolscine (1 nM) displacement.


Bioorg Med Chem Lett 10: 71-4 (2000)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Rattus norvegicus (rat))
BDBM50034043
PNG
(1-(4-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperi...)
Show SMILES COc1cc(ccc1OCCCN1CCC(CC1)c1noc2cc(F)ccc12)C(C)=O
Show InChI InChI=1S/C24H27FN2O4/c1-16(28)18-4-7-21(23(14-18)29-2)30-13-3-10-27-11-8-17(9-12-27)24-20-6-5-19(25)15-22(20)31-26-24/h4-7,14-15,17H,3,8-13H2,1-2H3
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n/an/a 0.400n/an/an/an/an/an/a



Hoechst-Roussel Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity against Alpha-1 adrenergic receptor was determined using [3H]WB-4101 radioligand


J Med Chem 38: 1119-31 (1995)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(HUMAN)
BDBM50403742
PNG
(CHEMBL165796)
Show SMILES Cc1ccn2c(c1)nc(C)c(CCN1CCc3oc4ccccc4c3C1)c2=O
Show InChI InChI=1S/C23H23N3O2/c1-15-7-12-26-22(13-15)24-16(2)17(23(26)27)8-10-25-11-9-21-19(14-25)18-5-3-4-6-20(18)28-21/h3-7,12-13H,8-11,14H2,1-2H3
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n/an/a 0.447n/an/an/an/an/an/a



Janssen Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity at human Alpha-2A adrenergic receptor in CHO cells by [3H]rauwolscine (1 nM) displacement.


Bioorg Med Chem Lett 10: 71-4 (2000)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(HUMAN)
BDBM50403744
PNG
(LUSAPERIDONE)
Show SMILES Cc1nc2ccccn2c(=O)c1CCN1CCc2oc3ccccc3c2C1
Show InChI InChI=1S/C22H21N3O2/c1-15-16(22(26)25-11-5-4-8-21(25)23-15)9-12-24-13-10-20-18(14-24)17-6-2-3-7-19(17)27-20/h2-8,11H,9-10,12-14H2,1H3
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n/an/a 0.550n/an/an/an/an/an/a



Janssen Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity at human Alpha-2A adrenergic receptor in CHO cells by [3H]rauwolscine (1 nM) displacement.


Bioorg Med Chem Lett 10: 71-4 (2000)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(HUMAN)
BDBM50403739
PNG
(CHEMBL163247)
Show SMILES Cc1nc2c(Cl)cc(Cl)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1
Show InChI InChI=1S/C22H19Cl2N3O2/c1-13-15(22(28)27-11-14(23)10-18(24)21(27)25-13)6-8-26-9-7-20-17(12-26)16-4-2-3-5-19(16)29-20/h2-5,10-11H,6-9,12H2,1H3
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n/an/a 0.589n/an/an/an/an/an/a



Janssen Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity at human Alpha-2A adrenergic receptor in CHO cells by [3H]rauwolscine (1 nM) displacement.


Bioorg Med Chem Lett 10: 71-4 (2000)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(HUMAN)
BDBM50403750
PNG
(CHEMBL351200)
Show SMILES Cc1nc2c(C)cccn2c(=O)c1CCN1CCc2oc3ccccc3c2C1
Show InChI InChI=1S/C23H23N3O2/c1-15-6-5-11-26-22(15)24-16(2)17(23(26)27)9-12-25-13-10-21-19(14-25)18-7-3-4-8-20(18)28-21/h3-8,11H,9-10,12-14H2,1-2H3
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n/an/a 0.603n/an/an/an/an/an/a



Janssen Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity at human Alpha-2A adrenergic receptor in CHO cells by [3H]rauwolscine (1 nM) displacement.


Bioorg Med Chem Lett 10: 71-4 (2000)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(HUMAN)
BDBM50403747
PNG
(CHEMBL162826)
Show SMILES Cc1nc2c(O)cccn2c(=O)c1CCN1CCc2oc3ccccc3c2C1
Show InChI InChI=1S/C22H21N3O3/c1-14-15(22(27)25-10-4-6-18(26)21(25)23-14)8-11-24-12-9-20-17(13-24)16-5-2-3-7-19(16)28-20/h2-7,10,26H,8-9,11-13H2,1H3
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n/an/a 0.692n/an/an/an/an/an/a



Janssen Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity at human Alpha-2A adrenergic receptor in CHO cells by [3H]rauwolscine (1 nM) displacement.


Bioorg Med Chem Lett 10: 71-4 (2000)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(HUMAN)
BDBM50403754
PNG
(CHEMBL164612)
Show SMILES Cc1nc2ccccn2c(=O)c1CCN1CCc2oc3c(Cl)cccc3c2C1
Show InChI InChI=1S/C22H20ClN3O2/c1-14-15(22(27)26-10-3-2-7-20(26)24-14)8-11-25-12-9-19-17(13-25)16-5-4-6-18(23)21(16)28-19/h2-7,10H,8-9,11-13H2,1H3
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n/an/a 0.891n/an/an/an/an/an/a



Janssen Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity at human Alpha-2A adrenergic receptor in CHO cells by [3H]rauwolscine (1 nM) displacement.


Bioorg Med Chem Lett 10: 71-4 (2000)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(HUMAN)
BDBM50403746
PNG
(CHEMBL162147)
Show SMILES Cc1nc2c(Cl)cc(cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1)C(F)(F)F
Show InChI InChI=1S/C23H19ClF3N3O2/c1-13-15(22(31)30-11-14(23(25,26)27)10-18(24)21(30)28-13)6-8-29-9-7-20-17(12-29)16-4-2-3-5-19(16)32-20/h2-5,10-11H,6-9,12H2,1H3
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n/an/a 1.17n/an/an/an/an/an/a



Janssen Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity at human Alpha-2A adrenergic receptor in CHO cells by [3H]rauwolscine (1 nM) displacement.


Bioorg Med Chem Lett 10: 71-4 (2000)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(HUMAN)
BDBM50403749
PNG
(CHEMBL165181)
Show SMILES Cc1nc2ccccn2c(=O)c1CCN1CCc2sc3ccccc3c2C1
Show InChI InChI=1S/C22H21N3OS/c1-15-16(22(26)25-11-5-4-8-21(25)23-15)9-12-24-13-10-20-18(14-24)17-6-2-3-7-19(17)27-20/h2-8,11H,9-10,12-14H2,1H3
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n/an/a 1.74n/an/an/an/an/an/a



Janssen Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity at human Alpha-2A adrenergic receptor in CHO cells by [3H]rauwolscine (1 nM) displacement.


Bioorg Med Chem Lett 10: 71-4 (2000)

More data for this
Ligand-Target Pair
adrenergic Alpha2


(BOVINE)
BDBM50016897
PNG
(2-(2,6-dichloroanilino)-1,3-diazacyclopentene-(2) ...)
Show SMILES Clc1cccc(Cl)c1N=C1NCCN1
Show InChI InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)
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n/an/a 2n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Concentration of the compound necessary to achieve half maximal inhibition of [3H]-clonidine binding to Alpha-2 adrenergic receptor at 1 uM


J Med Chem 32: 720-7 (1989)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(HUMAN)
BDBM50403751
PNG
(CHEMBL162436)
Show SMILES O=c1c(CCN2CCc3oc4ccccc4c3C2)c(Cc2ccccc2)nc2ccccn12
Show InChI InChI=1S/C28H25N3O2/c32-28-22(13-16-30-17-14-26-23(19-30)21-10-4-5-11-25(21)33-26)24(18-20-8-2-1-3-9-20)29-27-12-6-7-15-31(27)28/h1-12,15H,13-14,16-19H2
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n/an/a 2.19n/an/an/an/an/an/a



Janssen Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity at human Alpha-2A adrenergic receptor in CHO cells by [3H]rauwolscine (1 nM) displacement.


Bioorg Med Chem Lett 10: 71-4 (2000)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(HUMAN)
BDBM50403743
PNG
(CHEMBL162058)
Show SMILES COc1cc2nc(C)c(CCN3CCc4oc5ccccc5c4C3)c(=O)n2cc1OC
Show InChI InChI=1S/C24H25N3O4/c1-15-16(24(28)27-14-22(30-3)21(29-2)12-23(27)25-15)8-10-26-11-9-20-18(13-26)17-6-4-5-7-19(17)31-20/h4-7,12,14H,8-11,13H2,1-3H3
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n/an/a 3.55n/an/an/an/an/an/a



Janssen Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity at human Alpha-2A adrenergic receptor in CHO cells by [3H]rauwolscine (1 nM) displacement.


Bioorg Med Chem Lett 10: 71-4 (2000)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(HUMAN)
BDBM50203564
PNG
((1R,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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n/an/a 3.67n/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Displacement of [3H]MK9112 from human recombinant adrenergic alpha2A receptor expressed in insect Sf9 cells after 60 mins


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


(HUMAN)
BDBM50403741
PNG
(CHEMBL165677)
Show SMILES Cc1nc2ccccn2c(=O)c1CCN1CCc2oc3ccc(Cl)cc3c2C1
Show InChI InChI=1S/C22H20ClN3O2/c1-14-16(22(27)26-9-3-2-4-21(26)24-14)7-10-25-11-8-20-18(13-25)17-12-15(23)5-6-19(17)28-20/h2-6,9,12H,7-8,10-11,13H2,1H3
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n/an/a 3.89n/an/an/an/an/an/a



Janssen Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity at human Alpha-2A adrenergic receptor in CHO cells by [3H]rauwolscine (1 nM) displacement.


Bioorg Med Chem Lett 10: 71-4 (2000)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(HUMAN)
BDBM50166551
PNG
(CHEMBL194173 | N*2*-[1-(4-Bromo-2-trifluoromethoxy...)
Show SMILES CN(C)c1nc(NCC2CCN(CC2)S(=O)(=O)c2ccc(Br)cc2OC(F)(F)F)nc2ccccc12
Show InChI InChI=1S/C23H25BrF3N5O3S/c1-31(2)21-17-5-3-4-6-18(17)29-22(30-21)28-14-15-9-11-32(12-10-15)36(33,34)20-8-7-16(24)13-19(20)35-23(25,26)27/h3-8,13,15H,9-12,14H2,1-2H3,(H,28,29,30)
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n/an/a 5.60n/an/an/an/an/an/a



Taisho Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against constitutively activated human Alpha-2A adrenergic receptor transiently expressed in COS-1 cells using [3H]-MK912


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


(HUMAN)
BDBM50166555
PNG
(4-Bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamin...)
Show SMILES CN(C)c1nc(NCC2CCC(CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12
Show InChI InChI=1S/C25H29BrF3N5O3S/c1-34(2)23-19-5-3-4-6-20(19)32-24(33-23)30-14-16-7-9-17(10-8-16)15-31-38(35,36)22-12-11-18(26)13-21(22)37-25(27,28)29/h3-6,11-13,16-17,31H,7-10,14-15H2,1-2H3,(H,30,32,33)
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n/an/a 7.70n/an/an/an/an/an/a



Taisho Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against constitutively activated human Alpha-2A adrenergic receptor transiently expressed in COS-1 cells using [3H]-MK912


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


(HUMAN)
BDBM50170189
PNG
(4-Bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamin...)
Show SMILES CN(C)c1nc(NC[C@H]2CC[C@H](CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12
Show InChI InChI=1S/C25H29BrF3N5O3S/c1-34(2)23-19-5-3-4-6-20(19)32-24(33-23)30-14-16-7-9-17(10-8-16)15-31-38(35,36)22-12-11-18(26)13-21(22)37-25(27,28)29/h3-6,11-13,16-17,31H,7-10,14-15H2,1-2H3,(H,30,32,33)/t16-,17-
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n/an/a 7.70n/an/an/an/an/an/a



Taisho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha-2A adrenergic receptor by using [3H]MK-912 as radioligand expressed in COS-1 cells


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


(HUMAN)
BDBM50019848
PNG
(2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-1...)
Show SMILES C1CN=C(N1)C1COc2ccccc2O1
Show InChI InChI=1S/C11H12N2O2/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11/h1-4,10H,5-7H2,(H,12,13)
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n/an/a 8.32n/an/an/an/an/an/a



Janssen Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity at human Alpha-2A adrenergic receptor in CHO cells by [3H]rauwolscine (1 nM) displacement.


Bioorg Med Chem Lett 10: 71-4 (2000)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(HUMAN)
BDBM50170194
PNG
(CHEMBL367355 | trans-4-Bromo-N-{4-[(4-dimethylamin...)
Show SMILES CN(C)c1nc(NCC2CCC(CNC(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12
Show InChI InChI=1S/C26H29BrF3N5O2/c1-35(2)23-19-5-3-4-6-21(19)33-25(34-23)32-15-17-9-7-16(8-10-17)14-31-24(36)20-12-11-18(27)13-22(20)37-26(28,29)30/h3-6,11-13,16-17H,7-10,14-15H2,1-2H3,(H,31,36)(H,32,33,34)
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n/an/a 9.90n/an/an/an/an/an/a



Taisho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha-2A adrenergic receptor by using [3H]MK-912 as radioligand expressed in COS-1 cells


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


(HUMAN)
BDBM50403737
PNG
(CHEMBL165776)
Show SMILES Cc1nc2ccccn2c(=O)c1CCCN1CCc2oc3ccccc3c2C1
Show InChI InChI=1S/C23H23N3O2/c1-16-17(23(27)26-13-5-4-10-22(26)24-16)8-6-12-25-14-11-21-19(15-25)18-7-2-3-9-20(18)28-21/h2-5,7,9-10,13H,6,8,11-12,14-15H2,1H3
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n/an/a 10.2n/an/an/an/an/an/a



Janssen Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity at human Alpha-2A adrenergic receptor in CHO cells by [3H]rauwolscine (1 nM) displacement.


Bioorg Med Chem Lett 10: 71-4 (2000)

More data for this
Ligand-Target Pair
adrenergic Alpha2


(BOVINE)
BDBM82368
PNG
(CAS_121851 | CHEMBL11592 | CHEMBL301060 | NSC_1218...)
Show SMILES CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C26H38N2O4/c1-3-13-27(20-16-21-22(31-2)9-8-10-23(21)32-19-20)14-6-7-15-28-24(29)17-26(18-25(28)30)11-4-5-12-26/h8-10,20H,3-7,11-19H2,1-2H3
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n/an/a 20n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Binding affinity against alpha-2 adrenergic receptor in calf frontal cortex


J Med Chem 37: 1779-93 (1994)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(HUMAN)
BDBM31005
PNG
(2-methyl-1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyraz...)
Show SMILES Cl.CN1CCN2C(C1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C18H20N2.ClH/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19;/h2-9,18H,10-13H2,1H3;1H
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n/an/a 20.9n/an/an/an/an/an/a



Janssen-Cilag

Curated by ChEMBL


Assay Description
Binding affinity for human cloned Alpha-2A adrenergic receptor


Bioorg Med Chem Lett 12: 243-8 (2001)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(HUMAN)
BDBM50166552
PNG
(4-Bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamin...)
Show SMILES CN(C)c1nc(NCC2CCC(CC2)NS(=O)(=O)c2ccc(Br)cc2OC(F)(F)F)nc2ccccc12
Show InChI InChI=1S/C24H27BrF3N5O3S/c1-33(2)22-18-5-3-4-6-19(18)30-23(31-22)29-14-15-7-10-17(11-8-15)32-37(34,35)21-12-9-16(25)13-20(21)36-24(26,27)28/h3-6,9,12-13,15,17,32H,7-8,10-11,14H2,1-2H3,(H,29,30,31)
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n/an/a 21n/an/an/an/an/an/a



Taisho Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against constitutively activated human Alpha-2A adrenergic receptor transiently expressed in COS-1 cells using [3H]-MK912


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


(HUMAN)
BDBM50170177
PNG
(CHEMBL360117 | trans-4-Bromo-N-{4-[(4-dimethylamin...)
Show SMILES CN(C)c1nc(NCC2CCC(CNCc3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12
Show InChI InChI=1S/C26H31BrF3N5O/c1-35(2)24-21-5-3-4-6-22(21)33-25(34-24)32-15-18-9-7-17(8-10-18)14-31-16-19-11-12-20(27)13-23(19)36-26(28,29)30/h3-6,11-13,17-18,31H,7-10,14-16H2,1-2H3,(H,32,33,34)
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n/an/a 31n/an/an/an/an/an/a



Taisho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha-2A adrenergic receptor by using [3H]MK-912 as radioligand expressed in COS-1 cells


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


(HUMAN)
BDBM50170187
PNG
(CHEMBL181727 | trans-4-Bromo-N-{4-[(4-dimethylamin...)
Show SMILES CN(C)c1nc(NCC2CCC(CN(C)S(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12
Show InChI InChI=1S/C26H31BrF3N5O3S/c1-34(2)24-20-6-4-5-7-21(20)32-25(33-24)31-15-17-8-10-18(11-9-17)16-35(3)39(36,37)23-13-12-19(27)14-22(23)38-26(28,29)30/h4-7,12-14,17-18H,8-11,15-16H2,1-3H3,(H,31,32,33)
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n/an/a 34n/an/an/an/an/an/a



Taisho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha-2A adrenergic receptor by using [3H]MK-912 as radioligand expressed in COS-1 cells


Citation and Details
More data for this
Ligand-Target Pair
adrenergic Alpha2


(BOVINE)
BDBM50016882
PNG
(1-Butyl-2,3,4,4a,10,10a-hexahydro-1H-9-oxa-1-aza-p...)
Show SMILES CCCCN1CCC[C@H]2[C@H]1COc1c(O)cccc21
Show InChI InChI=1S/C16H23NO2/c1-2-3-9-17-10-5-7-12-13-6-4-8-15(18)16(13)19-11-14(12)17/h4,6,8,12,14,18H,2-3,5,7,9-11H2,1H3/t12-,14-/m1/s1
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n/an/a 39n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Concentration necessary to achieve half maximal inhibition of [3H]-clonidine binding to alpha-2 adrenergic receptor at 1 uM


J Med Chem 32: 720-7 (1989)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(HUMAN)
BDBM50170196
PNG
(CHEMBL182235 | trans-N*2*-(4-{[(4-Bromo-2-trifluor...)
Show SMILES CN(CC1CCC(CNc2nc(N(C)C)c3ccccc3n2)CC1)Cc1ccc(Br)cc1OC(F)(F)F
Show InChI InChI=1S/C27H33BrF3N5O/c1-35(2)25-22-6-4-5-7-23(22)33-26(34-25)32-15-18-8-10-19(11-9-18)16-36(3)17-20-12-13-21(28)14-24(20)37-27(29,30)31/h4-7,12-14,18-19H,8-11,15-17H2,1-3H3,(H,32,33,34)
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n/an/a 44n/an/an/an/an/an/a



Taisho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha-2A adrenergic receptor by using [3H]MK-912 as radioligand expressed in COS-1 cells


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


(HUMAN)
BDBM50166563
PNG
(4-Bromo-N-[4-(4-dimethylamino-quinazolin-2-ylamino...)
Show SMILES CN(C)c1nc(NC2CCC(CC2)NS(=O)(=O)c2ccc(Br)cc2OC(F)(F)F)nc2ccccc12
Show InChI InChI=1S/C23H25BrF3N5O3S/c1-32(2)21-17-5-3-4-6-18(17)29-22(30-21)28-15-8-10-16(11-9-15)31-36(33,34)20-12-7-14(24)13-19(20)35-23(25,26)27/h3-7,12-13,15-16,31H,8-11H2,1-2H3,(H,28,29,30)
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n/an/a 47n/an/an/an/an/an/a



Taisho Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against constitutively activated human Alpha-2A adrenergic receptor transiently expressed in COS-1 cells using [3H]-MK912


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


(HUMAN)
BDBM50170182
PNG
(3,4-Dichloro-N-[4-(4-dimethylamino-quinazolin-2-yl...)
Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(Cl)c(Cl)c2)nc2ccccc12
Show InChI InChI=1S/C23H25Cl2N5O/c1-30(2)21-17-5-3-4-6-20(17)28-23(29-21)27-16-10-8-15(9-11-16)26-22(31)14-7-12-18(24)19(25)13-14/h3-7,12-13,15-16H,8-11H2,1-2H3,(H,26,31)(H,27,28,29)/t15-,16+
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n/an/a 47n/an/an/an/an/an/a



Taisho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha-2A adrenergic receptor by using [3H]MK-912 as radioligand expressed in COS-1 cells


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


(HUMAN)
BDBM50166565
PNG
(4-Bromo-N-[4-(quinazolin-2-ylamino)-cyclohexyl]-2-...)
Show SMILES FC(F)(F)Oc1cc(Br)ccc1S(=O)(=O)NC1CCC(CC1)Nc1ncc2ccccc2n1
Show InChI InChI=1S/C21H20BrF3N4O3S/c22-14-5-10-19(18(11-14)32-21(23,24)25)33(30,31)29-16-8-6-15(7-9-16)27-20-26-12-13-3-1-2-4-17(13)28-20/h1-5,10-12,15-16,29H,6-9H2,(H,26,27,28)
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n/an/a 57n/an/an/an/an/an/a



Taisho Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against constitutively activated human Alpha-2A adrenergic receptor transiently expressed in COS-1 cells using [3H]-MK912


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


(HUMAN)
BDBM50170184
PNG
(4-Bromo-N-[4-(4-dimethylamino-quinazolin-2-ylamino...)
Show SMILES CN(C)c1nc(N[C@H]2CC[C@H](CC2)NS(=O)(=O)c2ccc(Br)cc2OC(F)(F)F)nc2ccccc12
Show InChI InChI=1S/C23H25BrF3N5O3S/c1-32(2)21-17-5-3-4-6-18(17)29-22(30-21)28-15-8-10-16(11-9-15)31-36(33,34)20-12-7-14(24)13-19(20)35-23(25,26)27/h3-7,12-13,15-16,31H,8-11H2,1-2H3,(H,28,29,30)/t15-,16+
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n/an/a 57n/an/an/an/an/an/a



Taisho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha-2A adrenergic receptor by using [3H]MK-912 as radioligand expressed in COS-1 cells


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


(HUMAN)
BDBM50166559
PNG
(Butane-1-sulfonic acid {4-[(4-dimethylamino-quinaz...)
Show SMILES CCCCS(=O)(=O)NCC1CCC(CNc2nc(N(C)C)c3ccccc3n2)CC1
Show InChI InChI=1S/C22H35N5O2S/c1-4-5-14-30(28,29)24-16-18-12-10-17(11-13-18)15-23-22-25-20-9-7-6-8-19(20)21(26-22)27(2)3/h6-9,17-18,24H,4-5,10-16H2,1-3H3,(H,23,25,26)
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n/an/a 58n/an/an/an/an/an/a



Taisho Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against constitutively activated human Alpha-2A adrenergic receptor transiently expressed in COS-1 cells using [3H]-MK912


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


(HUMAN)
BDBM50170183
PNG
(CHEMBL181632 | N-[4-(4-Dimethylamino-quinazolin-2-...)
Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2cccc(c2)C(F)(F)F)nc2ccccc12
Show InChI InChI=1S/C24H26F3N5O/c1-32(2)21-19-8-3-4-9-20(19)30-23(31-21)29-18-12-10-17(11-13-18)28-22(33)15-6-5-7-16(14-15)24(25,26)27/h3-9,14,17-18H,10-13H2,1-2H3,(H,28,33)(H,29,30,31)/t17-,18+
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n/an/a 60n/an/an/an/an/an/a



Taisho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha-2A adrenergic receptor by using [3H]MK-912 as radioligand expressed in COS-1 cells


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


(HUMAN)
BDBM50170176
PNG
(3-Bromo-N-[4-(4-dimethylamino-quinazolin-2-ylamino...)
Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2cccc(Br)c2)nc2ccccc12
Show InChI InChI=1S/C23H26BrN5O/c1-29(2)21-19-8-3-4-9-20(19)27-23(28-21)26-18-12-10-17(11-13-18)25-22(30)15-6-5-7-16(24)14-15/h3-9,14,17-18H,10-13H2,1-2H3,(H,25,30)(H,26,27,28)/t17-,18+
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n/an/a 63n/an/an/an/an/an/a



Taisho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha-2A adrenergic receptor by using [3H]MK-912 as radioligand expressed in COS-1 cells


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


(HUMAN)
BDBM50170193
PNG
(CHEMBL360081 | N-[4-(4-Dimethylamino-quinazolin-2-...)
Show SMILES COc1cc(OC)cc(c1)C(=O)N[C@H]1CC[C@H](CC1)Nc1nc(N(C)C)c2ccccc2n1
Show InChI InChI=1S/C25H31N5O3/c1-30(2)23-21-7-5-6-8-22(21)28-25(29-23)27-18-11-9-17(10-12-18)26-24(31)16-13-19(32-3)15-20(14-16)33-4/h5-8,13-15,17-18H,9-12H2,1-4H3,(H,26,31)(H,27,28,29)/t17-,18+
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n/an/a 71n/an/an/an/an/an/a



Taisho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha-2A adrenergic receptor by using [3H]MK-912 as radioligand expressed in COS-1 cells


Citation and Details
More data for this
Ligand-Target Pair
adrenergic Alpha2


(BOVINE)
BDBM50016890
PNG
(5-Methoxy-1-propyl-2,3,4,4a,10,10a-hexahydro-1H-9-...)
Show SMILES CCCN1CCC[C@H]2[C@H]1COc1cccc(OC)c21
Show InChI InChI=1S/C16H23NO2/c1-3-9-17-10-5-6-12-13(17)11-19-15-8-4-7-14(18-2)16(12)15/h4,7-8,12-13H,3,5-6,9-11H2,1-2H3/t12-,13+/m0/s1
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n/an/a 71n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Concentration necessary to achieve half maximal inhibition of [3H]-clonidine binding to alpha-2 adrenergic receptor at 1 uM


J Med Chem 32: 720-7 (1989)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(HUMAN)
BDBM50170180
PNG
(3-Chloro-N-[4-(4-dimethylamino-quinazolin-2-ylamin...)
Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2cccc(Cl)c2)nc2ccccc12
Show InChI InChI=1S/C23H26ClN5O/c1-29(2)21-19-8-3-4-9-20(19)27-23(28-21)26-18-12-10-17(11-13-18)25-22(30)15-6-5-7-16(24)14-15/h3-9,14,17-18H,10-13H2,1-2H3,(H,25,30)(H,26,27,28)/t17-,18+
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n/an/a 76n/an/an/an/an/an/a



Taisho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha-2A adrenergic receptor by using [3H]MK-912 as radioligand expressed in COS-1 cells


Citation and Details
More data for this
Ligand-Target Pair
adrenergic Alpha2


(BOVINE)
BDBM50016884
PNG
(1-Propyl-2,3,4,4a,10,10a-hexahydro-1H-9-oxa-1-aza-...)
Show SMILES CCCN1CCC[C@H]2[C@H]1COc1c(O)cccc21
Show InChI InChI=1S/C15H21NO2/c1-2-8-16-9-4-6-11-12-5-3-7-14(17)15(12)18-10-13(11)16/h3,5,7,11,13,17H,2,4,6,8-10H2,1H3/t11-,13-/m1/s1
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n/an/a 77n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Concentration necessary to achieve half maximal inhibition of [3H]-clonidine binding to alpha-2 adrenergic receptor at 1 uM


J Med Chem 32: 720-7 (1989)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(HUMAN)
BDBM50115644
PNG
((+/-)-12-Methyl-1,2,3,4,9,13b-hexahydro-2,4a,5-tri...)
Show SMILES CN1CCN2C(C1)c1ccccc1Cc1cccnc21
Show InChI InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
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n/an/a 85.1n/an/an/an/an/an/a



Janssen Research Foundation

Curated by ChEMBL


Assay Description
Binding affinity at human Alpha-2A adrenergic receptor in CHO cells by [3H]rauwolscine (1 nM) displacement.


Bioorg Med Chem Lett 10: 71-4 (2000)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(HUMAN)
BDBM50166564
PNG
(CHEMBL195123 | N-{4-[(4-Dimethylamino-quinazolin-2...)
Show SMILES CN(C)c1nc(NCC2CCC(CNS(C)(=O)=O)CC2)nc2ccccc12
Show InChI InChI=1S/C19H29N5O2S/c1-24(2)18-16-6-4-5-7-17(16)22-19(23-18)20-12-14-8-10-15(11-9-14)13-21-27(3,25)26/h4-7,14-15,21H,8-13H2,1-3H3,(H,20,22,23)
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n/an/a 86n/an/an/an/an/an/a



Taisho Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against constitutively activated human Alpha-2A adrenergic receptor transiently expressed in COS-1 cells using [3H]-MK912


Citation and Details
More data for this
Ligand-Target Pair
adrenergic Alpha2


(BOVINE)
BDBM50016898
PNG
(1-Propyl-2,3,4,4a,10,10a-hexahydro-1H-9-oxa-1-aza-...)
Show SMILES CCCN1CCC[C@H]2[C@H]1COc1ccccc21
Show InChI InChI=1S/C15H21NO/c1-2-9-16-10-5-7-12-13-6-3-4-8-15(13)17-11-14(12)16/h3-4,6,8,12,14H,2,5,7,9-11H2,1H3/t12-,14-/m1/s1
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n/an/a 88n/an/an/an/an/an/a



CIBA-GEIGY Corporation

Curated by ChEMBL


Assay Description
Concentration necessary to achieve half maximal inhibition of [3H]-clonidine binding to alpha-2 adrenergic receptor at 1 uM


J Med Chem 32: 720-7 (1989)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(HUMAN)
BDBM50166561
PNG
(CHEMBL195380 | Naphthalene-1-sulfonic acid {4-[(4-...)
Show SMILES Nc1nc(NCC2CCC(CNS(=O)(=O)c3cccc4ccccc34)CC2)nc2ccccc12
Show InChI InChI=1S/C26H29N5O2S/c27-25-22-9-3-4-10-23(22)30-26(31-25)28-16-18-12-14-19(15-13-18)17-29-34(32,33)24-11-5-7-20-6-1-2-8-21(20)24/h1-11,18-19,29H,12-17H2,(H3,27,28,30,31)
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n/an/a 97n/an/an/an/an/an/a



Taisho Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against constitutively activated human Alpha-2A adrenergic receptor transiently expressed in COS-1 cells using [3H]-MK912


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


(HUMAN)
BDBM50170200
PNG
(CHEMBL181383 | N-[4-(4-Dimethylamino-quinazolin-2-...)
Show SMILES CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2cccc(c2)[N+]([O-])=O)nc2ccccc12
Show InChI InChI=1S/C23H26N6O3/c1-28(2)21-19-8-3-4-9-20(19)26-23(27-21)25-17-12-10-16(11-13-17)24-22(30)15-6-5-7-18(14-15)29(31)32/h3-9,14,16-17H,10-13H2,1-2H3,(H,24,30)(H,25,26,27)/t16-,17+
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n/an/a 97n/an/an/an/an/an/a



Taisho Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against alpha-2A adrenergic receptor by using [3H]MK-912 as radioligand expressed in COS-1 cells


Citation and Details
More data for this
Ligand-Target Pair
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