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Compile Data Set for Download or QSAR

Found 10605 hits Enz. Inhib. hit(s) with Target = 'Adrenergic receptor'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50413482
PNG
(CHEMBL443435)
Show SMILES NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(NC=O)c2)c1
Show InChI InChI=1S/C25H37N3O6S/c26-35(32,33)22-10-7-9-20(16-22)8-3-6-15-34-14-5-2-1-4-13-27-18-25(31)21-11-12-24(30)23(17-21)28-19-29/h7,9-12,16-17,19,25,27,30-31H,1-6,8,13-15,18H2,(H,28,29)(H2,26,32,33)/t25-/m0/s1
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n/an/an/an/a 0.0398n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at beta-1 adrenergic receptor in guinea pig trachea assessed as inhibition of electrical stimulation-induced muscle contraction


J Med Chem 52: 2280-8 (2009)


Article DOI: 10.1021/jm801016j
BindingDB Entry DOI: 10.7270/Q2ST7R2P
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50060964
PNG
((R)-5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-...)
Show SMILES CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m1/s1
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n/an/an/an/a 0.130n/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Intrinsic activity at human alpha1B adrenergic receptor expressed in CHOK1 cells co-expressing aequorin assessed as inhibition of agonist induced cal...


Bioorg Med Chem 24: 5582-5591 (2016)


Article DOI: 10.1016/j.bmc.2016.09.017
BindingDB Entry DOI: 10.7270/Q20K2BJJ
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50052880
PNG
(CHEMBL49137 | Imidazolidin-2-ylidene-(5-methyl-qui...)
Show SMILES Cc1c(ccc2nccnc12)N=C1NCCN1
Show InChI InChI=1S/C12H13N5/c1-8-9(17-12-15-6-7-16-12)2-3-10-11(8)14-5-4-13-10/h2-5H,6-7H2,1H3,(H2,15,16,17)
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n/an/an/an/a 0.300n/an/an/an/a


TBA

Assay Description
Inhibition of Alpha-2 adrenergic receptor induced contractile response of rabbit vas deferens


Citation and Details

BindingDB Entry DOI: 10.7270/Q22J6F1V
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM86453
PNG
(CAS_73573-87-2 | Formoterol | NSC_3083544)
Show SMILES COc1ccc(CC(C)NCC(O)c2ccc(O)c(NC=O)c2)cc1
Show InChI InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)
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n/an/an/an/a 0.316n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at beta-1 adrenergic receptor in guinea pig trachea assessed as inhibition of electrical stimulation-induced muscle contraction


J Med Chem 52: 2280-8 (2009)


Article DOI: 10.1021/jm801016j
BindingDB Entry DOI: 10.7270/Q2ST7R2P
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50213212
PNG
(CHEMBL50390)
Show SMILES Cc1c(NC2=NCCN2)ccc2OCCOc12
Show InChI InChI=1S/C12H15N3O2/c1-8-9(15-12-13-4-5-14-12)2-3-10-11(8)17-7-6-16-10/h2-3H,4-7H2,1H3,(H2,13,14,15)
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n/an/an/an/a 0.350n/an/an/an/a


TBA

Assay Description
Inhibition of Alpha-2 adrenergic receptor induced contractile response of rabbit vas deferens


Citation and Details

BindingDB Entry DOI: 10.7270/Q22J6F1V
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50219153
PNG
(CHEMBL414185)
Show SMILES COC(=O)c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C12H15N3O2/c1-17-12(16)9-4-2-3-5-10(9)15-8-11-13-6-7-14-11/h2-5,15H,6-8H2,1H3,(H,13,14)
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n/an/an/an/a 0.398n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Potency against cloned human alpha 1B adrenoceptor expressed in rat-1 fibroblasts.


Bioorg Med Chem Lett 11: 2871-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00569-8
BindingDB Entry DOI: 10.7270/Q2CC1201
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50219153
PNG
(CHEMBL414185)
Show SMILES COC(=O)c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C12H15N3O2/c1-17-12(16)9-4-2-3-5-10(9)15-8-11-13-6-7-14-11/h2-5,15H,6-8H2,1H3,(H,13,14)
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n/an/an/an/a 0.398n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
In vitro activation of human Alpha-1B receptor expressed in rat-1 fibroblasts via calcium mobilization through the Gq coupled PLC pathway as function...


Bioorg Med Chem Lett 12: 575-9 (2002)


Article DOI: 10.1016/s0960-894x(01)00822-8
BindingDB Entry DOI: 10.7270/Q2Z320ZN
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50219153
PNG
(CHEMBL414185)
Show SMILES COC(=O)c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C12H15N3O2/c1-17-12(16)9-4-2-3-5-10(9)15-8-11-13-6-7-14-11/h2-5,15H,6-8H2,1H3,(H,13,14)
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n/an/an/an/a 0.398n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of DiTc binding to Kv1.3 channel in human brain membranes


Bioorg Med Chem Lett 13: 1183-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Adrenergic receptor


(Homo sapiens (Human))
BDBM50473677
PNG
(CHEMBL72441)
Show SMILES CSc1ccc(C)cc1NCC1=NCCN1
Show InChI InChI=1S/C12H17N3S/c1-9-3-4-11(16-2)10(7-9)15-8-12-13-5-6-14-12/h3-4,7,15H,5-6,8H2,1-2H3,(H,13,14)
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n/an/an/an/a 0.417n/an/an/an/a



GlaxoSmithKline Research Laboratories

Curated by ChEMBL


Assay Description
Agonist potency at Alpha-1B adrenergic receptor expressed in rat-1 fibroblasts


J Med Chem 45: 2229-39 (2002)


Article DOI: 10.1021/jm000542r
BindingDB Entry DOI: 10.7270/Q2NG4TCQ
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50033111
PNG
(1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-((tetra...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1
Show InChI InChI=1S/C19H25N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22)
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n/an/an/an/a 0.5n/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Antagonist activity at alpha-1B adrenergic receptor (unknown origin) incubated for 30 mins prior to agonist addition measured after 5 hrs by CCF4-AM ...


Bioorg Med Chem 23: 2104-11 (2015)


Article DOI: 10.1016/j.bmc.2015.03.009
BindingDB Entry DOI: 10.7270/Q2W37Z0Z
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50090256
PNG
((R)-2-((S)-1,2-dihydroxyethyl)-4,5-dihydroxyfuran-...)
Show SMILES OC[C@H](O)c1oc(O)c(O)c1O
Show InChI InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,7-11H,1H2/t2-/m0/s1
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n/an/an/an/a 0.5n/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Agonist activity at human adrenergic alpha2B receptor expressed in HEK293 cells coexpressing Gqi5 protein by FLIPR assay


Bioorg Med Chem 17: 2497-500 (2009)


Article DOI: 10.1016/j.bmc.2009.01.065
BindingDB Entry DOI: 10.7270/Q2FJ2GPP
More data for this
Ligand-Target Pair
Adrenergic receptor


(Homo sapiens (Human))
BDBM50473665
PNG
(CHEMBL70751)
Show SMILES CSc1ccc(Cl)cc1NCC1=NCCN1
Show InChI InChI=1S/C11H14ClN3S/c1-16-10-3-2-8(12)6-9(10)15-7-11-13-4-5-14-11/h2-3,6,15H,4-5,7H2,1H3,(H,13,14)
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n/an/an/an/a 0.501n/an/an/an/a



GlaxoSmithKline Research Laboratories

Curated by ChEMBL


Assay Description
Agonist potency at Alpha-1B adrenergic receptor expressed in rat-1 fibroblasts


J Med Chem 45: 2229-39 (2002)


Article DOI: 10.1021/jm000542r
BindingDB Entry DOI: 10.7270/Q2NG4TCQ
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50219153
PNG
(CHEMBL414185)
Show SMILES COC(=O)c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C12H15N3O2/c1-17-12(16)9-4-2-3-5-10(9)15-8-11-13-6-7-14-11/h2-5,15H,6-8H2,1H3,(H,13,14)
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n/an/an/an/a 0.501n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
In vitro activation of human alpha-1D receptor expressed in rat-1 fibroblasts via calcium using mobilization through the Gq coupled PLC pathway as fu...


Bioorg Med Chem Lett 12: 575-9 (2002)


Article DOI: 10.1016/s0960-894x(01)00822-8
BindingDB Entry DOI: 10.7270/Q2Z320ZN
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50219153
PNG
(CHEMBL414185)
Show SMILES COC(=O)c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C12H15N3O2/c1-17-12(16)9-4-2-3-5-10(9)15-8-11-13-6-7-14-11/h2-5,15H,6-8H2,1H3,(H,13,14)
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n/an/an/an/a 0.501n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Potency against cloned human alpha 1D-adrenoceptor expressed in rat-1 fibroblasts.


Bioorg Med Chem Lett 11: 2871-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00569-8
BindingDB Entry DOI: 10.7270/Q2CC1201
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50219153
PNG
(CHEMBL414185)
Show SMILES COC(=O)c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C12H15N3O2/c1-17-12(16)9-4-2-3-5-10(9)15-8-11-13-6-7-14-11/h2-5,15H,6-8H2,1H3,(H,13,14)
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n/an/an/an/a 0.501n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Effective concentration showing agonistic activity towards Human alpha-1D adrenergic receptor, expressed in rat 1 fibroblast cells was determined


Bioorg Med Chem Lett 13: 1183-6 (2003)


Article DOI: 10.1016/s0960-894x(03)00050-7
BindingDB Entry DOI: 10.7270/Q21V5G8T
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM34572
PNG
(BRIMONIDINE | CHEMBL844 | MLS000069370 | SMR000058...)
Show SMILES Brc1c(NC2=NCCN2)ccc2nccnc12
Show InChI InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)
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n/an/an/an/a 0.617n/an/an/an/a


TBA

Assay Description
Alpha-2A adrenergic receptor agonistic potency as inhibition of forskolin-stimulated synthesis of cyclic adenosine monophosphate


Citation and Details

BindingDB Entry DOI: 10.7270/Q2DV1N3J
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50413485
PNG
(CHEMBL446840 | CHEMBL483200)
Show SMILES NS(=O)(=O)c1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1
Show InChI InChI=1S/C25H38N2O6S/c26-34(31,32)23-10-7-9-20(16-23)8-3-6-15-33-14-5-2-1-4-13-27-18-25(30)21-11-12-24(29)22(17-21)19-28/h7,9-12,16-17,25,27-30H,1-6,8,13-15,18-19H2,(H2,26,31,32)/t25-/m0/s1
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n/an/an/an/a 0.794n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at beta-1 adrenergic receptor in guinea pig trachea assessed as inhibition of electrical stimulation-induced muscle contraction


J Med Chem 52: 2280-8 (2009)


Article DOI: 10.1021/jm801016j
BindingDB Entry DOI: 10.7270/Q2ST7R2P
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50067212
PNG
(CHEBI:8093 | Cyclomydril | Duo-Medihaler | PHENYLE...)
Show SMILES CNC[C@H](O)c1cccc(O)c1
Show InChI InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9-/m0/s1
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n/an/an/an/a 0.860n/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Intrinsic activity at human alpha1B adrenergic receptor expressed in CHOK1 cells co-expressing aequorin assessed as calcium mobilization measured for...


Bioorg Med Chem 24: 5582-5591 (2016)


Article DOI: 10.1016/j.bmc.2016.09.017
BindingDB Entry DOI: 10.7270/Q20K2BJJ
More data for this
Ligand-Target Pair
Adrenergic receptor


(Homo sapiens (Human))
BDBM50473677
PNG
(CHEMBL72441)
Show SMILES CSc1ccc(C)cc1NCC1=NCCN1
Show InChI InChI=1S/C12H17N3S/c1-9-3-4-11(16-2)10(7-9)15-8-12-13-5-6-14-12/h3-4,7,15H,5-6,8H2,1-2H3,(H,13,14)
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n/an/an/an/a 0.912n/an/an/an/a



GlaxoSmithKline Research Laboratories

Curated by ChEMBL


Assay Description
Agonist potency at Alpha-1D adrenergic receptor assayed in rat-1 fibroblasts expressing human Alpha-1D adrenergic receptor


J Med Chem 45: 2229-39 (2002)


Article DOI: 10.1021/jm000542r
BindingDB Entry DOI: 10.7270/Q2NG4TCQ
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50409468
PNG
(CHEMBL32670)
Show SMILES C[C@H](NCCc1ccc(NCC(O)=O)c(Cl)c1)[C@H](O)c1ccc(O)cc1
Show InChI InChI=1S/C19H23ClN2O4/c1-12(19(26)14-3-5-15(23)6-4-14)21-9-8-13-2-7-17(16(20)10-13)22-11-18(24)25/h2-7,10,12,19,21-23,26H,8-9,11H2,1H3,(H,24,25)/t12-,19-/m0/s1
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n/an/an/an/a 0.933n/an/an/an/a



Kissei Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonistic activity towards beta-3 adrenoceptor. Mean concentration required to produce 50% relaxation of detrusor before the addition in the ferret d...


J Med Chem 44: 1436-45 (2001)


Article DOI: 10.1021/jm000455z
BindingDB Entry DOI: 10.7270/Q2Q52QVH
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM34572
PNG
(BRIMONIDINE | CHEMBL844 | MLS000069370 | SMR000058...)
Show SMILES Brc1c(NC2=NCCN2)ccc2nccnc12
Show InChI InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)
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n/an/an/an/a 1n/an/an/an/a


TBA

Assay Description
Inhibition of Alpha-2 adrenergic receptor induced contractile response of rabbit vas deferens


Citation and Details

BindingDB Entry DOI: 10.7270/Q22J6F1V
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50421593
PNG
(CHEMBL357129)
Show SMILES C(Oc1ccccc1-c1ccc[nH]1)C1=NCCN1
Show InChI InChI=1S/C14H15N3O/c1-2-6-13(18-10-14-16-8-9-17-14)11(4-1)12-5-3-7-15-12/h1-7,15H,8-10H2,(H,16,17)
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n/an/an/an/a 1n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Activation of recombinant human adrenergic, alpha-1B receptor expressed in rat-1 fibroblasts determined via calcium mobilization through Gq coupled P...


Bioorg Med Chem Lett 12: 471-5 (2002)

Checked by Author
Article DOI: 10.1016/s0960-894x(01)00764-8
BindingDB Entry DOI: 10.7270/Q22V2HD6
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50212995
PNG
(CHEMBL75030)
Show SMILES C1CN=C(NC2CCCc3ccccc23)O1
Show InChI InChI=1S/C13H16N2O/c1-2-6-11-10(4-1)5-3-7-12(11)15-13-14-8-9-16-13/h1-2,4,6,12H,3,5,7-9H2,(H,14,15)
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n/an/an/an/a 1.20n/an/an/an/a


TBA

Assay Description
Agonistic activity towards human Alpha-2A adrenergic receptor was measured as ability to inhibit forskolin-stimulated synthesis of cyclic adenosine m...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2GQ70ZD
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(Homo sapiens (Human))
BDBM50052882
PNG
(AGN-193080 | CHEMBL298936 | Imidazolidin-2-ylidene...)
Show SMILES Cc1c(ccc2OCCNc12)N=C1NCCN1
Show InChI InChI=1S/C12H16N4O/c1-8-9(16-12-14-4-5-15-12)2-3-10-11(8)13-6-7-17-10/h2-3,13H,4-7H2,1H3,(H2,14,15,16)
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n/an/an/an/a 1.20n/an/an/an/a


TBA

Assay Description
Inhibition of Alpha-2 adrenergic receptor induced contractile response of rabbit vas deferens


Citation and Details

BindingDB Entry DOI: 10.7270/Q22J6F1V
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50052880
PNG
(CHEMBL49137 | Imidazolidin-2-ylidene-(5-methyl-qui...)
Show SMILES Cc1c(ccc2nccnc12)N=C1NCCN1
Show InChI InChI=1S/C12H13N5/c1-8-9(17-12-15-6-7-16-12)2-3-10-11(8)14-5-4-13-10/h2-5H,6-7H2,1H3,(H2,15,16,17)
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n/an/an/an/a 1.20n/an/an/an/a


TBA

Assay Description
Alpha-2A adrenergic receptor agonistic potency as inhibition of forskolin-stimulated synthesis of cyclic adenosine monophosphate


Citation and Details

BindingDB Entry DOI: 10.7270/Q2DV1N3J
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50019646
PNG
(2-(alpha-(2,6-Dichlorophenoxy)ethyl)2-imidazoline ...)
Show SMILES CC(Oc1c(Cl)cccc1Cl)C1=NCCN1
Show InChI InChI=1S/C11H12Cl2N2O/c1-7(11-14-5-6-15-11)16-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,15)
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n/an/an/an/a 1.40n/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Agonist activity at human adrenoceptor aplha 2C expressed in CHO cells assessed as rate of extracellular acidification by cytosensor microphysiometri...


Bioorg Med Chem 20: 2082-90 (2012)


Article DOI: 10.1016/j.bmc.2012.01.035
BindingDB Entry DOI: 10.7270/Q2TD9ZKT
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50085683
PNG
((+)-4-((S)-alpha,2,3-trimethylbenzyl)imidazole | 4...)
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-/m0/s1
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n/an/an/an/a 1.5n/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant alpha2A adrenergic receptor expressed in CHO cells assessed as induction of [35S]GTPgammaS binding after 60 min...


Bioorg Med Chem 19: 321-9 (2011)


Article DOI: 10.1016/j.bmc.2010.11.020
BindingDB Entry DOI: 10.7270/Q2FQ9WX5
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(Homo sapiens (Human))
BDBM25392
PNG
(4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...)
Show SMILES CC(C)NCC(O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3
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n/an/an/an/a 1.5n/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards Beta-1 adrenergic receptor in rat heart membrane by displacing [125I]- iodocyanopindolol


J Med Chem 35: 3081-4 (1992)


Article DOI: 10.1021/jm00094a025
BindingDB Entry DOI: 10.7270/Q2PR7TWN
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50473228
PNG
(AGN-190837 | CHEMBL297752)
Show SMILES CCC[C@H]1CCCC[C@@H]1NC1=NCCO1
Show InChI InChI=1S/C12H22N2O/c1-2-5-10-6-3-4-7-11(10)14-12-13-8-9-15-12/h10-11H,2-9H2,1H3,(H,13,14)/t10-,11-/m0/s1
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n/an/an/an/a 1.60n/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Alpha-2A adrenergic receptor agonism measured as ability to inhibit forskolin-stimulated synthesis of cAMP


J Med Chem 43: 1699-704 (2000)


Article DOI: 10.1021/jm9905256
BindingDB Entry DOI: 10.7270/Q2D221C4
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50421599
PNG
(CHEMBL155326)
Show SMILES C(Nc1ccccc1-c1ncco1)C1=NCCN1
Show InChI InChI=1S/C13H14N4O/c1-2-4-11(17-9-12-14-5-6-15-12)10(3-1)13-16-7-8-18-13/h1-4,7-8,17H,5-6,9H2,(H,14,15)
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n/an/an/an/a 1.60n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
In vitro activation of human Alpha-1B receptor expressed in rat-1 fibroblasts via calcium mobilization through the Gq coupled PLC pathway as function...


Bioorg Med Chem Lett 12: 575-9 (2002)


Article DOI: 10.1016/s0960-894x(01)00822-8
BindingDB Entry DOI: 10.7270/Q2Z320ZN
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50421512
PNG
(CHEMBL95523)
Show SMILES CNC(=O)c1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C12H16N4O/c1-13-12(17)9-4-2-3-5-10(9)16-8-11-14-6-7-15-11/h2-5,16H,6-8H2,1H3,(H,13,17)(H,14,15)
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n/an/an/an/a 1.60n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Potency against cloned human alpha 1B adrenoceptor expressed in rat-1 fibroblasts.


Bioorg Med Chem Lett 11: 2871-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00569-8
BindingDB Entry DOI: 10.7270/Q2CC1201
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50212997
PNG
(CHEMBL310335)
Show SMILES CCC[C@H]1CCCCC1NC1=NCCO1
Show InChI InChI=1S/C12H22N2O/c1-2-5-10-6-3-4-7-11(10)14-12-13-8-9-15-12/h10-11H,2-9H2,1H3,(H,13,14)/t10-,11?/m0/s1
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n/an/an/an/a 1.60n/an/an/an/a


TBA

Assay Description
Agonistic activity towards human Alpha-2A adrenergic receptor was measured as ability to inhibit forskolin-stimulated synthesis of cyclic adenosine m...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2GQ70ZD
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50033111
PNG
(1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-((tetra...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1
Show InChI InChI=1S/C19H25N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22)
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n/an/an/an/a 1.70n/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Intrinsic activity at human alpha1B adrenergic receptor expressed in CHOK1 cells co-expressing aequorin assessed as inhibition of agonist induced cal...


Bioorg Med Chem 24: 5582-5591 (2016)


Article DOI: 10.1016/j.bmc.2016.09.017
BindingDB Entry DOI: 10.7270/Q20K2BJJ
More data for this
Ligand-Target Pair
Adrenergic receptor


(Homo sapiens (Human))
BDBM50473672
PNG
(CHEMBL72768)
Show SMILES CSc1ccc(F)cc1NCC1=NCCN1
Show InChI InChI=1S/C11H14FN3S/c1-16-10-3-2-8(12)6-9(10)15-7-11-13-4-5-14-11/h2-3,6,15H,4-5,7H2,1H3,(H,13,14)
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n/an/an/an/a 1.90n/an/an/an/a



GlaxoSmithKline Research Laboratories

Curated by ChEMBL


Assay Description
Agonist potency at Alpha-1B adrenergic receptor expressed in rat-1 fibroblasts


J Med Chem 45: 2229-39 (2002)


Article DOI: 10.1021/jm000542r
BindingDB Entry DOI: 10.7270/Q2NG4TCQ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50413484
PNG
(CHEMBL475389)
Show SMILES NS(=O)(=O)c1ccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1
Show InChI InChI=1S/C25H38N2O6S/c26-34(31,32)23-11-8-20(9-12-23)7-3-6-16-33-15-5-2-1-4-14-27-18-25(30)21-10-13-24(29)22(17-21)19-28/h8-13,17,25,27-30H,1-7,14-16,18-19H2,(H2,26,31,32)/t25-/m0/s1
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n/an/an/an/a 2n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at beta-1 adrenergic receptor in guinea pig trachea assessed as inhibition of electrical stimulation-induced muscle contraction


J Med Chem 52: 2280-8 (2009)


Article DOI: 10.1021/jm801016j
BindingDB Entry DOI: 10.7270/Q2ST7R2P
More data for this
Ligand-Target Pair
Adrenergic receptor


(Homo sapiens (Human))
BDBM50473226
PNG
(CHEMBL297827)
Show SMILES C(\C=C\c1ccccc1)[C@H]1C2CCC(C2)[C@H]1NC1=NCCO1
Show InChI InChI=1S/C19H24N2O/c1-2-5-14(6-3-1)7-4-8-17-15-9-10-16(13-15)18(17)21-19-20-11-12-22-19/h1-7,15-18H,8-13H2,(H,20,21)/b7-4+/t15?,16?,17-,18+/m0/s1
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n/an/an/an/a 2n/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Alpha2c receptor agonism measured as ability to inhibit forskolin-stimulated synthesis of cAMP


J Med Chem 43: 1699-704 (2000)


Article DOI: 10.1021/jm9905256
BindingDB Entry DOI: 10.7270/Q2D221C4
More data for this
Ligand-Target Pair
Adrenergic receptor


(Homo sapiens (Human))
BDBM50420342
PNG
(CHEMBL2089156)
Show SMILES C[C@H](Oc1ccccc1CC1CC1)C1=NCCN1
Show InChI InChI=1S/C15H20N2O/c1-11(15-16-8-9-17-15)18-14-5-3-2-4-13(14)10-12-6-7-12/h2-5,11-12H,6-10H2,1H3,(H,16,17)/t11-/m0/s1
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n/an/an/an/a 2n/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Agonist activity at human alpha2C AR


ACS Med Chem Lett 4: 875-9 (2013)


Article DOI: 10.1021/ml400232p
BindingDB Entry DOI: 10.7270/Q2H134ZZ
More data for this
Ligand-Target Pair
Adrenergic receptor


(Homo sapiens (Human))
BDBM50419878
PNG
(CHEMBL1956195)
Show SMILES CC(Oc1ccccc1CC1CC1)C1=NCCN1
Show InChI InChI=1S/C15H20N2O/c1-11(15-16-8-9-17-15)18-14-5-3-2-4-13(14)10-12-6-7-12/h2-5,11-12H,6-10H2,1H3,(H,16,17)
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n/an/an/an/a 2n/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Agonist activity at human alpha2C AR


ACS Med Chem Lett 4: 875-9 (2013)


Article DOI: 10.1021/ml400232p
BindingDB Entry DOI: 10.7270/Q2H134ZZ
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50420342
PNG
(CHEMBL2089156)
Show SMILES C[C@H](Oc1ccccc1CC1CC1)C1=NCCN1
Show InChI InChI=1S/C15H20N2O/c1-11(15-16-8-9-17-15)18-14-5-3-2-4-13(14)10-12-6-7-12/h2-5,11-12H,6-10H2,1H3,(H,16,17)/t11-/m0/s1
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n/an/an/an/a 2n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human alpha2C adrenoreceptor expressed in CHO cells assessed as extracellular acidification measured after 4 mins by cytosensor m...


ACS Med Chem Lett 3: 535-539 (2012)


Article DOI: 10.1021/ml300064v
BindingDB Entry DOI: 10.7270/Q28W3FK6
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Homo sapiens (Human))
BDBM50421580
PNG
(CHEMBL117248)
Show SMILES CSc1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C11H15N3S/c1-15-10-5-3-2-4-9(10)14-8-11-12-6-7-13-11/h2-5,14H,6-8H2,1H3,(H,12,13)
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n/an/an/an/a 2n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Activation of human alpha-1B adrenergic receptors expressed in rat-1 fibroblasts


Bioorg Med Chem Lett 12: 3449-52 (2002)


Article DOI: 10.1016/s0960-894x(02)00753-9
BindingDB Entry DOI: 10.7270/Q2G44RM1
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50419878
PNG
(CHEMBL1956195)
Show SMILES CC(Oc1ccccc1CC1CC1)C1=NCCN1
Show InChI InChI=1S/C15H20N2O/c1-11(15-16-8-9-17-15)18-14-5-3-2-4-13(14)10-12-6-7-12/h2-5,11-12H,6-10H2,1H3,(H,16,17)
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n/an/an/an/a 2n/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Agonist activity at human adrenoceptor aplha 2C expressed in CHO cells assessed as rate of extracellular acidification by cytosensor microphysiometri...


Bioorg Med Chem 20: 2082-90 (2012)


Article DOI: 10.1016/j.bmc.2012.01.035
BindingDB Entry DOI: 10.7270/Q2TD9ZKT
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50419878
PNG
(CHEMBL1956195)
Show SMILES CC(Oc1ccccc1CC1CC1)C1=NCCN1
Show InChI InChI=1S/C15H20N2O/c1-11(15-16-8-9-17-15)18-14-5-3-2-4-13(14)10-12-6-7-12/h2-5,11-12H,6-10H2,1H3,(H,16,17)
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n/an/an/an/a 2n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human alpha2C adrenoreceptor expressed in CHO cells assessed as extracellular acidification measured after 4 mins by cytosensor m...


ACS Med Chem Lett 3: 535-539 (2012)


Article DOI: 10.1021/ml300064v
BindingDB Entry DOI: 10.7270/Q28W3FK6
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50085683
PNG
((+)-4-((S)-alpha,2,3-trimethylbenzyl)imidazole | 4...)
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-/m0/s1
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n/an/an/an/a 2.10n/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human alpha2A adrenoreceptor expressed in CHOK1 cell membrane incubated for 30 mins by [35S]GTPgammaS binding assay


Bioorg Med Chem 24: 3174-83 (2016)


Article DOI: 10.1016/j.bmc.2016.05.043
BindingDB Entry DOI: 10.7270/Q2NZ89J3
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50002133
PNG
((+/-)-2-(4-((R)-2-((R)-2-(3-chlorophenyl)-2-hydrox...)
Show SMILES C[C@H](Cc1ccc(OCC(O)=O)cc1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C19H22ClNO4/c1-13(21-11-18(22)15-3-2-4-16(20)10-15)9-14-5-7-17(8-6-14)25-12-19(23)24/h2-8,10,13,18,21-22H,9,11-12H2,1H3,(H,23,24)/t13-,18+/m1/s1
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n/an/an/an/a 2.19n/an/an/an/a



Kissei Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Agonistic activity towards beta-3 adrenoceptor. Mean concentration required to produce 50% relaxation of detrusor before the addition in the ferret d...


J Med Chem 44: 1436-45 (2001)


Article DOI: 10.1021/jm000455z
BindingDB Entry DOI: 10.7270/Q2Q52QVH
More data for this
Ligand-Target Pair
Adrenergic receptor


(Homo sapiens (Human))
BDBM50421580
PNG
(CHEMBL117248)
Show SMILES CSc1ccccc1NCC1=NCCN1
Show InChI InChI=1S/C11H15N3S/c1-15-10-5-3-2-4-9(10)14-8-11-12-6-7-13-11/h2-5,14H,6-8H2,1H3,(H,12,13)
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n/an/an/an/a 2.20n/an/an/an/a



GlaxoSmithKline Research Laboratories

Curated by ChEMBL


Assay Description
Agonist potency at alpha-1b adrenoceptors assayed in rat-1 fibroblasts expressing human alpha-1b


J Med Chem 45: 2229-39 (2002)


Article DOI: 10.1021/jm000542r
BindingDB Entry DOI: 10.7270/Q2NG4TCQ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50407517
PNG
((-)ISOPROTERENOL | CHEMBL1160723 | US9492405, 27)
Show SMILES CC(C)NC[C@H](O)c1ccc(O)c(O)c1
Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3/t11-/m0/s1
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n/an/an/an/a 2.20n/an/an/an/a



SmithKline Beecham Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Activity for Beta-1 adrenergic receptor was assessed from ability to stimulate contractions in isolated guinea pig atrium.


J Med Chem 38: 3681-716 (1995)


Article DOI: 10.1021/jm00019a001
BindingDB Entry DOI: 10.7270/Q2SB46C4
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50212995
PNG
(CHEMBL75030)
Show SMILES C1CN=C(NC2CCCc3ccccc23)O1
Show InChI InChI=1S/C13H16N2O/c1-2-6-11-10(4-1)5-3-7-12(11)15-13-14-8-9-16-13/h1-2,4,6,12H,3,5,7-9H2,(H,14,15)
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n/an/an/an/a 2.20n/an/an/an/a


TBA

Assay Description
Agonistic activity towards human Alpha-2C adrenergic receptor was measured as ability to inhibit forskolin-stimulated synthesis of cyclic adenosine m...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2GQ70ZD
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50213348
PNG
(CHEMBL72753)
Show SMILES Clc1c(NC2=NCCN2)ccc2nccnc12
Show InChI InChI=1S/C11H10ClN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)
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n/an/an/an/a 2.30n/an/an/an/a


TBA

Assay Description
Alpha-2A adrenergic receptor agonistic potency as inhibition of forskolin-stimulated synthesis of cyclic adenosine monophosphate


Citation and Details

BindingDB Entry DOI: 10.7270/Q2DV1N3J
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(GUINEA PIG)
BDBM50413480
PNG
(CHEMBL520313)
Show SMILES NS(=O)(=O)c1ccccc1CCCCOCCCCCCNC[C@H](O)c1ccc(O)c(CO)c1
Show InChI InChI=1S/C25H38N2O6S/c26-34(31,32)25-11-4-3-9-20(25)10-5-8-16-33-15-7-2-1-6-14-27-18-24(30)21-12-13-23(29)22(17-21)19-28/h3-4,9,11-13,17,24,27-30H,1-2,5-8,10,14-16,18-19H2,(H2,26,31,32)/t24-/m0/s1
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n/an/an/an/a 2.5n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at beta-1 adrenergic receptor in guinea pig trachea assessed as inhibition of electrical stimulation-induced muscle contraction


J Med Chem 52: 2280-8 (2009)


Article DOI: 10.1021/jm801016j
BindingDB Entry DOI: 10.7270/Q2ST7R2P
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50067214
PNG
(CHEMBL3400597)
Show SMILES Cl.Clc1ccccc1N1CCN(CCCCN2CCCC2=O)CC1
Show InChI InChI=1S/C18H26ClN3O.ClH/c19-16-6-1-2-7-17(16)21-14-12-20(13-15-21)9-3-4-10-22-11-5-8-18(22)23;/h1-2,6-7H,3-5,8-15H2;1H
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n/an/an/an/a 2.5n/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Antagonist activity at alpha-1B adrenergic receptor (unknown origin) incubated for 30 mins prior to agonist addition measured after 5 hrs by CCF4-AM ...


Bioorg Med Chem 23: 2104-11 (2015)


Article DOI: 10.1016/j.bmc.2015.03.009
BindingDB Entry DOI: 10.7270/Q2W37Z0Z
More data for this
Ligand-Target Pair
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