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Compile Data Set for Download or QSAR

Found 485 hits of ki data for polymerid = 50006506   
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, alpha-2B-, receptor [Homo sapiens]


(Homo sapiens)
BDBM22867
PNG
(1,1-diethyl-3-[(8beta)-6-methyl-9,10-didehydroergo...)
Show SMILES CCN(CC)C(=O)N[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34
Show InChI InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18-/m1/s1
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0.130n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




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


(Homo sapiens)
BDBM50417010
PNG
(CHEMBL1255723)
Show SMILES CC[C@H]1[C@@H]2c3ccccc3C[C@]12c1cnc[nH]1
Show InChI InChI=1S/C15H16N2/c1-2-12-14-11-6-4-3-5-10(11)7-15(12,14)13-8-16-9-17-13/h3-6,8-9,12,14H,2,7H2,1H3,(H,16,17)/t12-,14-,15+/m0/s1
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0.182n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-RX821002 from human adrenergic alpha2B receptor expressed in rat C6 cells after 120 mins by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic, alpha-2B-, receptor [Homo sapiens]


(Homo sapiens)
BDBM50020192
PNG
(8-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-1-phen...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C22H25N3O3/c26-21-22(25(16-23-21)17-6-2-1-3-7-17)10-12-24(13-11-22)14-18-15-27-19-8-4-5-9-20(19)28-18/h1-9,18H,10-16H2,(H,23,26)
MMDB

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0.190n/an/an/an/an/an/an/an/a



University of Nebraska

Curated by PDSP Ki Database




Mol Pharmacol 42: 1-5 (1992)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens)
BDBM50417019
PNG
(CHEMBL1256378)
Show SMILES C[C@H]1[C@@H]2c3ccccc3C[C@]12c1cnc[nH]1
Show InChI InChI=1S/C14H14N2/c1-9-13-11-5-3-2-4-10(11)6-14(9,13)12-7-15-8-16-12/h2-5,7-9,13H,6H2,1H3,(H,15,16)/t9-,13+,14+/m0/s1
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0.204n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-RX821002 from human adrenergic alpha2B receptor expressed in rat C6 cells after 120 mins by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic, alpha-2B-, receptor [Homo sapiens]


(Homo sapiens)
BDBM85709
PNG
(S18616)
Show SMILES NC1=NC2(CO1)CCc1ccccc1C2
Show InChI InChI=1S/C12H14N2O/c13-11-14-12(8-15-11)6-5-9-3-1-2-4-10(9)7-12/h1-4H,5-8H2,(H2,13,14)
MMDB

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0.251n/an/an/an/an/an/an/an/a



Centre de Recherches de Croissy

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 1192-205 (2000)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens)
BDBM50417006
PNG
(CHEMBL1256414)
Show SMILES C1[C@@H]2c3ccccc3C[C@]12c1cnc[nH]1
Show InChI InChI=1S/C13H12N2/c1-2-4-10-9(3-1)5-13(6-11(10)13)12-7-14-8-15-12/h1-4,7-8,11H,5-6H2,(H,14,15)/t11-,13+/m1/s1
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0.275n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-RX821002 from human adrenergic alpha2B receptor expressed in rat C6 cells after 120 mins by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic, alpha-2B-, receptor [Homo sapiens]


(Homo sapiens)
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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0.320n/an/an/an/an/an/an/an/a



Neurogenetic Corporation

Curated by PDSP Ki Database




Mol Pharmacol 38: 681-8 (1990)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens)
BDBM50417009
PNG
(CHEMBL1255724)
Show SMILES CCC[C@H]1[C@@H]2c3ccccc3C[C@]12c1cnc[nH]1
Show InChI InChI=1S/C16H18N2/c1-2-5-13-15-12-7-4-3-6-11(12)8-16(13,15)14-9-17-10-18-14/h3-4,6-7,9-10,13,15H,2,5,8H2,1H3,(H,17,18)/t13-,15-,16+/m0/s1
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0.347n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-RX821002 from human adrenergic alpha2B receptor expressed in rat C6 cells after 120 mins by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic, alpha-2B-, receptor [Homo sapiens]


(Homo sapiens)
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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0.370n/an/an/an/an/an/an/an/a



University of Nebraska

Curated by PDSP Ki Database




Mol Pharmacol 42: 1-5 (1992)

More data for this
Ligand-Target Pair
Adrenergic, alpha-2B-, receptor [Homo sapiens]


(Homo sapiens)
BDBM50017519
PNG
(1,1-Diethyl-3-(7-methyl-4,6,6a,7,8,9,10,10a-octahy...)
Show SMILES CCN(CC)C(=O)N[C@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1
Show InChI InChI=1S/C20H28N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,11,14,16,18,21H,4-5,9-10,12H2,1-3H3,(H,22,25)/t14-,16+,18+/m0/s1
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0.450n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Adrenergic, alpha-2B-, receptor [Homo sapiens]


(Homo sapiens)
BDBM84994
PNG
(CAS_163091 | NSC_163091 | ORG-5222)
Show SMILES CN1CC2C(C1)c1cc(Cl)ccc1Oc1ccccc21
Show InChI InChI=1S/C17H16ClNO/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19/h2-8,14-15H,9-10H2,1H3
MMDB

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0.490n/an/an/an/an/an/an/an/a



Janssen Research Foundation

Curated by PDSP Ki Database




Psychopharmacology (Berl) 124: 57-73 (1996)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens)
BDBM50417020
PNG
(CHEMBL1256609)
Show SMILES C[C@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1
Show InChI InChI=1S/C14H14N2/c1-9-10-4-2-3-5-11(10)12-6-14(9,12)13-7-15-8-16-13/h2-5,7-9,12H,6H2,1H3,(H,15,16)/t9-,12+,14+/m0/s1
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0.692n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-RX821002 from human adrenergic alpha2B receptor expressed in rat C6 cells after 120 mins by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic, alpha-2B-, receptor [Homo sapiens]


(Homo sapiens)
BDBM81811
PNG
(CAS_123679 | L-657,743 | MK-912 | NSC_123679)
Show SMILES CN1CCC2(CCN3CCc4c(oc5ccccc45)C3C2)N(C)C1=O
Show InChI InChI=1S/C20H25N3O2/c1-21-11-8-20(22(2)19(21)24)9-12-23-10-7-15-14-5-3-4-6-17(14)25-18(15)16(23)13-20/h3-6,16H,7-13H2,1-2H3
MMDB

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0.890n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Biochem Pharmacol 55: 1035-43 (1998)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens)
BDBM50417008
PNG
(CHEMBL1255771)
Show SMILES C[C@]12C[C@]1(Cc1ccccc21)c1cnc[nH]1
Show InChI InChI=1S/C14H14N2/c1-13-8-14(13,12-7-15-9-16-12)6-10-4-2-3-5-11(10)13/h2-5,7,9H,6,8H2,1H3,(H,15,16)/t13-,14-/m1/s1
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0.912n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-RX821002 from human adrenergic alpha2B receptor expressed in rat C6 cells after 120 mins by liquid scintillation counting


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


(Homo sapiens)
BDBM50417018
PNG
(CHEMBL1255770)
Show SMILES CC1(C)[C@@H]2c3ccccc3C[C@]12c1cnc[nH]1
Show InChI InChI=1S/C15H16N2/c1-14(2)13-11-6-4-3-5-10(11)7-15(13,14)12-8-16-9-17-12/h3-6,8-9,13H,7H2,1-2H3,(H,16,17)/t13-,15+/m0/s1
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1.10n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-RX821002 from human adrenergic alpha2B receptor expressed in rat C6 cells after 120 mins by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic, alpha-2B-, receptor [Homo sapiens]


(Homo sapiens)
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
MMDB

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1.18n/an/an/an/an/an/an/an/a



University of Nebraska

Curated by PDSP Ki Database




Mol Pharmacol 42: 1-5 (1992)

More data for this
Ligand-Target Pair
Adrenergic, alpha-2B-, receptor [Homo sapiens]


(Homo sapiens)
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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1.20n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Biochem Pharmacol 55: 1035-43 (1998)

More data for this
Ligand-Target Pair
Adrenergic, alpha-2B-, receptor [Homo sapiens]


(Homo sapiens)
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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1.20n/an/an/an/an/an/an/an/a



Neurogenetic Corporation

Curated by PDSP Ki Database




Mol Pharmacol 38: 681-8 (1990)

More data for this
Ligand-Target Pair
Adrenergic, alpha-2B-, receptor [Homo sapiens]


(Homo sapiens)
BDBM85595
PNG
(CAS_105182-45-4 | Fluparoxan | NSC_72036)
Show SMILES Fc1cccc2OC3CNCC3Oc12
Show InChI InChI=1S/C10H10FNO2/c11-6-2-1-3-7-10(6)14-9-5-12-4-8(9)13-7/h1-3,8-9,12H,4-5H2
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1.25n/an/an/an/an/an/an/an/a



Institut de Recherches Servier, Centre de Recherches de Croissy

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Adrenergic, alpha-2B-, receptor [Homo sapiens]


(Homo sapiens)
BDBM50020192
PNG
(8-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-1-phen...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C22H25N3O3/c26-21-22(25(16-23-21)17-6-2-1-3-7-17)10-12-24(13-11-22)14-18-15-27-19-8-4-5-9-20(19)28-18/h1-9,18H,10-16H2,(H,23,26)
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1.57n/an/an/an/an/an/an/an/a



University of Michigan

Curated by PDSP Ki Database




J Pharmacol Exp Ther 271: 1558-65 (1994)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens)
BDBM50019492
PNG
((+)2-(2-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl)...)
Show SMILES COC1(COc2ccccc2O1)C1=NCCN1
Show InChI InChI=1S/C12H14N2O3/c1-15-12(11-13-6-7-14-11)8-16-9-4-2-3-5-10(9)17-12/h2-5H,6-8H2,1H3,(H,13,14)
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1.60n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]RS79948-197 from human recombinant adrenergic alpha2B receptor expressed in CHO cells


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


(Homo sapiens)
BDBM50417013
PNG
(CHEMBL1256610)
Show SMILES CC[C@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1
Show InChI InChI=1S/C15H16N2/c1-2-12-10-5-3-4-6-11(10)13-7-15(12,13)14-8-16-9-17-14/h3-6,8-9,12-13H,2,7H2,1H3,(H,16,17)/t12-,13+,15+/m0/s1
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1.60n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-RX821002 from human adrenergic alpha2B receptor expressed in rat C6 cells after 120 mins by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic, alpha-2B-, receptor [Homo sapiens]


(Homo sapiens)
BDBM50019492
PNG
((+)2-(2-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl)...)
Show SMILES COC1(COc2ccccc2O1)C1=NCCN1
Show InChI InChI=1S/C12H14N2O3/c1-15-12(11-13-6-7-14-11)8-16-9-4-2-3-5-10(9)17-12/h2-5H,6-8H2,1H3,(H,13,14)
MMDB

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1.62n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Biochem Pharmacol 55: 1035-43 (1998)

More data for this
Ligand-Target Pair
Adrenergic, alpha-2B-, receptor [Homo sapiens]


(Homo sapiens)
BDBM50020192
PNG
(8-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-1-phen...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C22H25N3O3/c26-21-22(25(16-23-21)17-6-2-1-3-7-17)10-12-24(13-11-22)14-18-15-27-19-8-4-5-9-20(19)28-18/h1-9,18H,10-16H2,(H,23,26)
MMDB

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1.80n/an/an/an/an/an/an/an/a



Janssen Research Foundation

Curated by PDSP Ki Database




Psychopharmacology (Berl) 124: 57-73 (1996)

More data for this
Ligand-Target Pair
Adrenergic, alpha-2B-, receptor [Homo sapiens]


(Homo sapiens)
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
MMDB

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1.99n/an/an/an/an/an/an/an/a



Institut de Recherches Servier, Centre de Recherches de Croissy

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Adrenergic, alpha-2B-, receptor [Homo sapiens]


(Homo sapiens)
BDBM50241196
PNG
((R)-5-(1-(2,3-dimethylphenyl)ethyl)-1H-imidazole |...)
Show SMILES C[C@@H](c1cnc[nH]1)c1cccc(C)c1C
Show InChI InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m1/s1
MMDB

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2.00n/an/an/an/an/an/an/an/a



Centre de Recherches de Croissy

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 1192-205 (2000)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens)
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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2n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by ChEMBL


Assay Description
Binding affinity against human alpha 2b-adrenergic receptor expressed stably in CHO cells using [3H]rauwolscine as radioligand


Bioorg Med Chem Lett 10: 627-30 (2000)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens)
BDBM50131360
PNG
(3-[4-((E)-3-Phenyl-allyl)-piperazin-1-ylmethyl]-3a...)
Show SMILES C(\C=C\c1ccccc1)N1CCN(CC2ON=C3C2COc2ccccc32)CC1
Show InChI InChI=1S/C24H27N3O2/c1-2-7-19(8-3-1)9-6-12-26-13-15-27(16-14-26)17-23-21-18-28-22-11-5-4-10-20(22)24(21)25-29-23/h1-11,21,23H,12-18H2/b9-6+
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2n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human alpha-2B adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens)
BDBM81807
PNG
(ATIPAMEZOLE | CAS_104054-27-5 | NSC_71310)
Show SMILES CCC1(Cc2ccccc2C1)c1cnc[nH]1
Show InChI InChI=1S/C14H16N2/c1-2-14(13-9-15-10-16-13)7-11-5-3-4-6-12(11)8-14/h3-6,9-10H,2,7-8H2,1H3,(H,15,16)
MMDB

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2.20n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-RX821002 from human adrenergic alpha2B receptor expressed in rat C6 cells after 120 mins by liquid scintillation counting


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


(Homo sapiens)
BDBM50417012
PNG
(CHEMBL1255616)
Show SMILES CCC[C@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1
Show InChI InChI=1S/C16H18N2/c1-2-5-13-11-6-3-4-7-12(11)14-8-16(13,14)15-9-17-10-18-15/h3-4,6-7,9-10,13-14H,2,5,8H2,1H3,(H,17,18)/t13-,14+,16+/m0/s1
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2.30n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-RX821002 from human adrenergic alpha2B receptor expressed in rat C6 cells after 120 mins by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic, alpha-2B-, receptor [Homo sapiens]


(Homo sapiens)
BDBM81772
PNG
(ARC-239 | CAS_122211 | NSC_122211)
Show SMILES COc1ccccc1N1CCN(CCC2C(=O)c3ccccc3C(C)(C)C2=O)CC1
Show InChI InChI=1S/C25H30N2O3/c1-25(2)20-9-5-4-8-18(20)23(28)19(24(25)29)12-13-26-14-16-27(17-15-26)21-10-6-7-11-22(21)30-3/h4-11,19H,12-17H2,1-3H3
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2.67n/an/an/an/an/an/an/an/a



University of Nebraska

Curated by PDSP Ki Database




Mol Pharmacol 42: 1-5 (1992)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens)
BDBM50131346
PNG
((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-2-methyl-3-phenyl...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H33N3O4/c1-19(13-20-7-5-4-6-8-20)16-29-9-11-30(12-10-29)17-26-22-18-33-23-15-25(32-3)24(31-2)14-21(23)27(22)28-34-26/h4-8,13-15,22,26H,9-12,16-18H2,1-3H3/b19-13+/t22-,26-/m0/s1
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3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human alpha-2B adrenergic receptor using [3H]-rauwolscine


Bioorg Med Chem Lett 13: 2719-25 (2003)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens)
BDBM50131346
PNG
((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-2-methyl-3-phenyl...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H33N3O4/c1-19(13-20-7-5-4-6-8-20)16-29-9-11-30(12-10-29)17-26-22-18-33-23-15-25(32-3)24(31-2)14-21(23)27(22)28-34-26/h4-8,13-15,22,26H,9-12,16-18H2,1-3H3/b19-13+/t22-,26-/m0/s1
MMDB

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3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]- rauwolscine binding to alpha-2B adrenergic receptor


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


(Homo sapiens)
BDBM50030614
PNG
(5-Chloro-8-methyl-1-vinyl-6,7,8,9-tetrahydro-2-thi...)
Show SMILES CN1CCc2c(Cl)ccc3sc(C=C)c(C1)c23
Show InChI InChI=1S/C14H14ClNS/c1-3-12-10-8-16(2)7-6-9-11(15)4-5-13(17-12)14(9)10/h3-5H,1,6-8H2,2H3
MMDB

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3.40n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [3H]rauwolscine binding to CHO cells expressing the human Alpha-2B adrenergic receptor


J Med Chem 38: 3681-716 (1995)

More data for this
Ligand-Target Pair
Adrenergic, alpha-2B-, receptor [Homo sapiens]


(Homo sapiens)
BDBM50017679
PNG
(Benzyl-(2-chloro-ethyl)-(1-methyl-2-phenoxy-ethyl)...)
Show SMILES CC(COc1ccccc1)N(CCCl)Cc1ccccc1
Show InChI InChI=1S/C18H22ClNO/c1-16(15-21-18-10-6-3-7-11-18)20(13-12-19)14-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3
MMDB

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3.5n/an/an/an/an/an/an/an/a



Neurogenetic Corporation

Curated by PDSP Ki Database




Mol Pharmacol 38: 681-8 (1990)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens)
BDBM50417011
PNG
(CHEMBL1255617)
Show SMILES C1CC11c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1
Show InChI InChI=1S/C15H14N2/c1-2-4-11-10(3-1)12-7-15(12,14(11)5-6-14)13-8-16-9-17-13/h1-4,8-9,12H,5-7H2,(H,16,17)/t12-,15-/m1/s1
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3.70n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-RX821002 from human adrenergic alpha2B receptor expressed in rat C6 cells after 120 mins by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic, alpha-2B-, receptor [Homo sapiens]


(Homo sapiens)
BDBM50019492
PNG
((+)2-(2-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-yl)...)
Show SMILES COC1(COc2ccccc2O1)C1=NCCN1
Show InChI InChI=1S/C12H14N2O3/c1-15-12(11-13-6-7-14-11)8-16-9-4-2-3-5-10(9)17-12/h2-5H,6-8H2,1H3,(H,13,14)
MMDB

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3.83n/an/an/an/an/an/an/an/a



University of Michigan

Curated by PDSP Ki Database




J Pharmacol Exp Ther 271: 1558-65 (1994)

More data for this
Ligand-Target Pair
Adrenergic, alpha-2B-, receptor [Homo sapiens]


(Homo sapiens)
BDBM81444
PNG
(CAS_185453 | NSC_185453 | WB 4101)
Show SMILES COc1cccc(OC)c1OCCNCC1Oc2ccccc2OC1c1ccccc1
Show InChI InChI=1S/C25H27NO5/c1-27-21-13-8-14-22(28-2)25(21)29-16-15-26-17-23-24(18-9-4-3-5-10-18)31-20-12-7-6-11-19(20)30-23/h3-14,23-24,26H,15-17H2,1-2H3
MMDB

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4.34n/an/an/an/an/an/an/an/a



University of Nebraska

Curated by PDSP Ki Database




Mol Pharmacol 42: 1-5 (1992)

More data for this
Ligand-Target Pair
Adrenergic, alpha-2B-, receptor [Homo sapiens]


(Homo sapiens)
BDBM85709
PNG
(S18616)
Show SMILES NC1=NC2(CO1)CCc1ccccc1C2
Show InChI InChI=1S/C12H14N2O/c13-11-14-12(8-15-11)6-5-9-3-1-2-4-10(9)7-12/h1-4H,5-8H2,(H2,13,14)
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4.37n/an/an/an/an/an/an/an/a



Centre de Recherches de Croissy

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 1192-205 (2000)

More data for this
Ligand-Target Pair
Adrenergic, alpha-2B-, receptor [Homo sapiens]


(Homo sapiens)
BDBM81926
PNG
(Aminoclonidine, p | CAS_66711-21-5 | NSC_51763 | p...)
Show SMILES Nc1cc(Cl)c(NC2=NCCN2)c(Cl)c1
Show InChI InChI=1S/C9H10Cl2N4/c10-6-3-5(12)4-7(11)8(6)15-9-13-1-2-14-9/h3-4H,1-2,12H2,(H2,13,14,15)
MMDB

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4.5n/an/an/an/an/an/an/an/a



Neurogenetic Corporation

Curated by PDSP Ki Database




Mol Pharmacol 38: 681-8 (1990)

More data for this
Ligand-Target Pair
Adrenergic, alpha-2B-, receptor [Homo sapiens]


(Homo sapiens)
BDBM50002173
PNG
(3-(4-(3,6-dihydro-4-phenyl-1(2H)-pyridinyl)butyl)-...)
Show SMILES Oc1ccc2[nH]cc(CCCCN3CCC(=CC3)c3ccccc3)c2c1
Show InChI InChI=1S/C23H26N2O/c26-21-9-10-23-22(16-21)20(17-24-23)8-4-5-13-25-14-11-19(12-15-25)18-6-2-1-3-7-18/h1-3,6-7,9-11,16-17,24,26H,4-5,8,12-15H2
MMDB

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4.57n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Adrenergic, alpha-2B-, receptor [Homo sapiens]


(Homo sapiens)
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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4.59n/an/an/an/an/an/an/an/a



University of Michigan

Curated by PDSP Ki Database




J Pharmacol Exp Ther 271: 1558-65 (1994)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens)
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
MMDB

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4.60n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [3H]rauwolscine binding to CHO cells expressing the human Alpha-2B adrenergic receptor


J Med Chem 38: 3681-716 (1995)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens)
BDBM50026636
PNG
(17alpha-hydroxy-20alpha-yohimban-16beta-carboxylic...)
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+/m1/s1
MMDB

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4.70n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [3H]rauwolscine binding to CHO cells expressing the human Alpha-2B adrenergic receptor


J Med Chem 38: 3681-716 (1995)

More data for this
Ligand-Target Pair
Adrenergic, alpha-2B-, receptor [Homo sapiens]


(Homo sapiens)
BDBM50001888
PNG
((chloropromazine) [3-(2-Chloro-phenothiazin-10-yl)...)
Show SMILES CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C17H19ClN2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3
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4.80n/an/an/an/an/an/an/an/a



University of Nebraska

Curated by PDSP Ki Database




Mol Pharmacol 42: 1-5 (1992)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens)
BDBM50263725
PNG
(1-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-4-...)
Show SMILES C(C1COc2ccccc2O1)N1CCCN(Cc2nc(no2)-c2cccnc2Oc2ccccc2)CC1
Show InChI InChI=1S/C28H29N5O4/c1-2-8-21(9-3-1)36-28-23(10-6-13-29-28)27-30-26(37-31-27)19-33-15-7-14-32(16-17-33)18-22-20-34-24-11-4-5-12-25(24)35-22/h1-6,8-13,22H,7,14-20H2
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5.20n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant adrenergic alpha2B receptor expressed in CHO cells assessed as inhibition of NE-induced calcium mobilization...


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic, alpha-2B-, receptor [Homo sapiens]


(Homo sapiens)
BDBM81773
PNG
(BAM 1303 | BAM-1303 | CAS_115219-10-8)
Show SMILES CN1C[C@H](Cn2ccnc2-c2ccccc2)C[C@H]2[C@H]1Cc1c(Br)[nH]c3cccc2c13
Show InChI InChI=1S/C25H25BrN4/c1-29-14-16(15-30-11-10-27-25(30)17-6-3-2-4-7-17)12-19-18-8-5-9-21-23(18)20(13-22(19)29)24(26)28-21/h2-11,16,19,22,28H,12-15H2,1H3/t16-,19-,22-/m1/s1
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5.28n/an/an/an/an/an/an/an/a



University of Nebraska

Curated by PDSP Ki Database




Mol Pharmacol 42: 1-5 (1992)

More data for this
Ligand-Target Pair
Adrenergic, alpha-2B-, receptor [Homo sapiens]


(Homo sapiens)
BDBM35255
PNG
(2-Chlor-11-(2-dimethylaminoaethoxy)-dibenzo(b,f)-t...)
Show SMILES CN(C)CCOC1=Cc2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C18H18ClNOS/c1-20(2)9-10-21-16-11-13-5-3-4-6-17(13)22-18-8-7-14(19)12-15(16)18/h3-8,11-12H,9-10H2,1-2H3
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5.70n/an/an/an/an/an/an/an/a



Janssen Research Foundation

Curated by PDSP Ki Database




Psychopharmacology (Berl) 124: 57-73 (1996)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens)
BDBM50417021
PNG
(CHEMBL1256566)
Show SMILES CCCO[C@H]1c2ccccc2[C@H]2C[C@@]12c1cnc[nH]1
Show InChI InChI=1S/C16H18N2O/c1-2-7-19-15-12-6-4-3-5-11(12)13-8-16(13,15)14-9-17-10-18-14/h3-6,9-10,13,15H,2,7-8H2,1H3,(H,17,18)/t13-,15+,16-/m1/s1
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6.5n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-RX821002 from human adrenergic alpha2B receptor expressed in rat C6 cells after 120 mins by liquid scintillation counting


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic, alpha-2B-, receptor [Homo sapiens]


(Homo sapiens)
BDBM31046
PNG
(3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphe...)
Show SMILES Cc1ccc(cc1)N(CC1=NCCN1)c1cccc(O)c1
Show InChI InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)
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6.80n/an/an/an/an/an/an/an/a



University of Nebraska

Curated by PDSP Ki Database




Mol Pharmacol 42: 1-5 (1992)

More data for this
Ligand-Target Pair
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