BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 10539 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/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50098664
PNG
(1-(4-{4-[2-Hydroxy-2-(4-hydroxy-3-methanesulfonyla...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1O)[C@@H](O)CNC1CCN(CC1)c1ccc(cc1)C(=O)N1CCC[C@H]1C(O)=O
Show InChI InChI=1S/C26H34N4O7S/c1-38(36,37)28-21-15-18(6-9-23(21)31)24(32)16-27-19-10-13-29(14-11-19)20-7-4-17(5-8-20)25(33)30-12-2-3-22(30)26(34)35/h4-9,15,19,22,24,27-28,31-32H,2-3,10-14,16H2,1H3,(H,34,35)/t22-,24-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Increased cAMP levels of Chinese hamster ovary (CHO) cells expressing human beta 1 Adrenergic receptor


J Med Chem 44: 1456-66 (2001)


Article DOI: 10.1021/jm000544b
BindingDB Entry DOI: 10.7270/Q2T72J53
More data for this
Ligand-Target Pair
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
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.0398n/an/an/an/a



GlaxoSmithKline Medicines Research Centre

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
Beta-1 adrenergic receptor


(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
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 0.0840n/an/an/an/a



Fujisawa Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Agonistic activity was assessed by measuring cAMP accumulation in CHO cell lines expressing cloned human Beta-1 adrenergic receptor


Bioorg Med Chem Lett 15: 251-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.11.001
BindingDB Entry DOI: 10.7270/Q2QJ7J2T
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(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
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 0.0840n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta1 receptor expressed in CHO cells assessed as cAMP accumulation


Bioorg Med Chem Lett 18: 5037-40 (2008)


Article DOI: 10.1016/j.bmcl.2008.08.009
BindingDB Entry DOI: 10.7270/Q21R6QBZ
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(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
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 0.0840n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay


J Med Chem 51: 4002-20 (2008)


Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(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
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 0.0840n/an/an/an/a



Astellas Pharma Inc

Curated by ChEMBL


Assay Description
Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation


J Med Chem 51: 4804-22 (2008)


Article DOI: 10.1021/jm800222k
BindingDB Entry DOI: 10.7270/Q25D8SQ8
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(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
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 0.0840n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by EIA


J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50126071
PNG
((R)-1-((R)-3-Chloro-phenyl)-2-[2-(7-methoxy-1H-ind...)
Show SMILES COc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(Cl)c3)c[nH]c12
Show InChI InChI=1S/C20H23ClN2O2/c1-13(22-12-18(24)14-5-3-6-16(21)10-14)9-15-11-23-20-17(15)7-4-8-19(20)25-2/h3-8,10-11,13,18,22-24H,9,12H2,1-2H3/t13-,18+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.130n/an/an/an/a



Dainippon Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Agonistic activity against human Beta-1 adrenergic receptor by measuring cAMP accumulation in CHO cells expressing beta3-AR


Bioorg Med Chem Lett 13: 1301-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00073-8
BindingDB Entry DOI: 10.7270/Q25B01TS
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
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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-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)
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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
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)
GoogleScholar
AffyNet 
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 0.316n/an/an/an/a



GlaxoSmithKline Medicines Research Centre

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-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)
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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
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)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
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
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 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)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
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 adrenergic receptor (1a and 1d)


(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)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)


(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)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
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 adrenergic receptor (1a and 1d)


(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)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50328336
PNG
(3-(2-hydroxy-3-(1-(5-phenylthieno[2,3-d]pyrimidin-...)
Show SMILES OC(CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12)COc1cccc(O)c1
Show InChI InChI=1S/C26H28N4O3S/c31-20-7-4-8-22(13-20)33-15-21(32)14-27-19-9-11-30(12-10-19)25-24-23(18-5-2-1-3-6-18)16-34-26(24)29-17-28-25/h1-8,13,16-17,19,21,27,31-32H,9-12,14-15H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 0.570n/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta1 receptor expressed in CHO cells assessed as cyclic AMP formation by HTRF assay


Bioorg Med Chem Lett 20: 6108-15 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.039
BindingDB Entry DOI: 10.7270/Q2WM1DNR
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50299900
PNG
(5-hydroxy-8-(1-hydroxy-2-(2-methyl-1-o-tolylpropan...)
Show SMILES Cc1ccccc1CC(C)(C)NCC(O)c1ccc(O)c2NC(=O)COc12
Show InChI InChI=1S/C21H26N2O4/c1-13-6-4-5-7-14(13)10-21(2,3)22-11-17(25)15-8-9-16(24)19-20(15)27-12-18(26)23-19/h4-9,17,22,24-25H,10-12H2,1-3H3,(H,23,26)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.600n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co KG

Curated by ChEMBL


Assay Description
Agonist activity at human adrenergic beta 1 expressed in CHO-K1 cells assessed as intracellular cAMP accumulation


Bioorg Med Chem Lett 19: 6640-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.013
BindingDB Entry DOI: 10.7270/Q29W0FJX
More data for this
Ligand-Target Pair
Adenosine receptor A1/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)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

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
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
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.794n/an/an/an/a



GlaxoSmithKline Medicines Research Centre

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
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50299901
PNG
(5-hydroxy-8-(1-hydroxy-2-(2-methyl-1-phenylpropan-...)
Show SMILES CC(C)(Cc1ccccc1)NCC(O)c1ccc(O)c2NC(=O)COc12
Show InChI InChI=1S/C20H24N2O4/c1-20(2,10-13-6-4-3-5-7-13)21-11-16(24)14-8-9-15(23)18-19(14)26-12-17(25)22-18/h3-9,16,21,23-24H,10-12H2,1-2H3,(H,22,25)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.800n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co KG

Curated by ChEMBL


Assay Description
Agonist activity at human adrenergic beta 1 expressed in CHO-K1 cells assessed as intracellular cAMP accumulation


Bioorg Med Chem Lett 19: 6640-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.013
BindingDB Entry DOI: 10.7270/Q29W0FJX
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM25748
PNG
(3-(2-{[3-(2-cyanophenoxy)-2-hydroxypropyl]amino}et...)
Show SMILES OC(CNCCNC(=O)Nc1ccccc1)COc1ccccc1C#N
Show InChI InChI=1S/C19H22N4O3/c20-12-15-6-4-5-9-18(15)26-14-17(24)13-21-10-11-22-19(25)23-16-7-2-1-3-8-16/h1-9,17,21,24H,10-11,13-14H2,(H2,22,23,25)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 0.813n/an/an/an/a



University of Nottingham

Curated by ChEMBL


Assay Description
Partial agonist activity at human beta1 adrenoceptor expressed in CHOK1 cells assessed as induction of [3H]cAMP accumulation after 5 hrs


J Med Chem 56: 3852-65 (2013)


Article DOI: 10.1021/jm400348g
BindingDB Entry DOI: 10.7270/Q2445NV6
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(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
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 0.840n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immunoassay


J Med Chem 52: 3063-72 (2009)


Article DOI: 10.1021/jm9000709
BindingDB Entry DOI: 10.7270/Q2S75G6J
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
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50027164
PNG
(CHEMBL369346)
Show SMILES OC[C@H](Cc1ccc(NC(=O)Nc2cccc(c2)[N+]([O-])=O)cc1)NC[C@H](O)COc1ccccc1
Show InChI InChI=1S/C25H28N4O6/c30-16-21(26-15-23(31)17-35-24-7-2-1-3-8-24)13-18-9-11-19(12-10-18)27-25(32)28-20-5-4-6-22(14-20)29(33)34/h1-12,14,21,23,26,30-31H,13,15-17H2,(H2,27,28,32)/t21-,23-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.900n/an/an/an/a



Fujisawa Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Agonistic activity was assessed by measuring cAMP accumulation in CHO cell lines expressing cloned human Beta-1 adrenergic receptor


Bioorg Med Chem Lett 15: 251-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.11.001
BindingDB Entry DOI: 10.7270/Q2QJ7J2T
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50299890
PNG
(5-hydroxy-8-(1-hydroxy-2-(1-(4-hydroxyphenyl)-2-me...)
Show SMILES CC(C)(Cc1ccc(O)cc1)NCC(O)c1ccc(O)c2NC(=O)COc12
Show InChI InChI=1S/C20H24N2O5/c1-20(2,9-12-3-5-13(23)6-4-12)21-10-16(25)14-7-8-15(24)18-19(14)27-11-17(26)22-18/h3-8,16,21,23-25H,9-11H2,1-2H3,(H,22,26)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.900n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co KG

Curated by ChEMBL


Assay Description
Agonist activity at human adrenergic beta 1 expressed in CHO-K1 cells assessed as intracellular cAMP accumulation


Bioorg Med Chem Lett 19: 6640-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.013
BindingDB Entry DOI: 10.7270/Q29W0FJX
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
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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-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)
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

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
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)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1n/an/an/an/a



GlaxoSmithKline Research and Development

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
Beta-1 adrenergic receptor


(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
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 1n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Activity at human beta-1 adrenergic receptor expressed in CHO cells by stimulation of cAMP production


J Med Chem 49: 2758-71 (2006)

Checked by Author
Article DOI: 10.1021/jm0509445
BindingDB Entry DOI: 10.7270/Q2KD20D5
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(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
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 1n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Activity against human beta 1 adrenergic receptor (AR), expressed in CHO cells.


J Med Chem 45: 567-83 (2002)


Article DOI: 10.1021/jm0101500
BindingDB Entry DOI: 10.7270/Q2W0976P
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)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

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
More data for this
Ligand-Target Pair
Adenosine receptor A1/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)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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


(Homo sapiens-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)
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50027167
PNG
(CHEMBL183283)
Show SMILES OC[C@H](Cc1ccc(NC(=O)Nc2cccc(c2)C(O)=O)cc1)NC[C@H](O)COc1ccccc1
Show InChI InChI=1S/C26H29N3O6/c30-16-22(27-15-23(31)17-35-24-7-2-1-3-8-24)13-18-9-11-20(12-10-18)28-26(34)29-21-6-4-5-19(14-21)25(32)33/h1-12,14,22-23,27,30-31H,13,15-17H2,(H,32,33)(H2,28,29,34)/t22-,23-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.30n/an/an/an/a



Fujisawa Pharmaceutical Co. Ltd

Curated by ChEMBL


Assay Description
Agonistic activity was assessed by measuring cAMP accumulation in CHO cell lines expressing cloned human Beta-1 adrenergic receptor


Bioorg Med Chem Lett 15: 251-4 (2004)


Article DOI: 10.1016/j.bmcl.2004.11.001
BindingDB Entry DOI: 10.7270/Q2QJ7J2T
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50372675
PNG
(CHEMBL272234)
Show SMILES O[C@@H](CNCCc1ccc(Oc2ccc(cn2)C(O)=O)cc1)c1cccc(Cl)c1
Show InChI InChI=1S/C22H21ClN2O4/c23-18-3-1-2-16(12-18)20(26)14-24-11-10-15-4-7-19(8-5-15)29-21-9-6-17(13-25-21)22(27)28/h1-9,12-13,20,24,26H,10-11,14H2,(H,27,28)/t20-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.40n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by EIA


J Med Chem 51: 1925-44 (2008)


Article DOI: 10.1021/jm701324c
BindingDB Entry DOI: 10.7270/Q24X58PB
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)
UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
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
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
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50021888
PNG
(CHEMBL3298987)
Show SMILES CC(C)(N)COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1-c1ccccc1
Show InChI InChI=1S/C35H38N4O4/c1-35(2,36)22-43-32-16-12-26(20-29(32)24-6-4-3-5-7-24)38-25-10-8-23(9-11-25)18-19-37-21-31(41)27-13-15-30(40)34-28(27)14-17-33(42)39-34/h3-17,20,31,37-38,40-41H,18-19,21-22,36H2,1-2H3,(H,39,42)/t31-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.60n/an/an/an/a



Theravance, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human beta1 adrenergic receptor expressed in cells by cAMP accumulation assay


Bioorg Med Chem Lett 24: 2871-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.095
BindingDB Entry DOI: 10.7270/Q22J6DFT
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)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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
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)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
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
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50246936
PNG
((-)-(S)-Propranolol | 1-(ISOPROPYLAMINO)-3-(1-NAPH...)
Show SMILES CC(C)NC[C@H](O)COc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3/t14-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 1.80n/an/an/an/a



Tom's of Maine

Curated by ChEMBL


Assay Description
Displacement of [125I]cyanopindolol from human recombinant adrenergic beta-1 receptor expressed in Rex16 cells


J Nat Prod 69: 432-5 (2006)


Article DOI: 10.1021/np058114h
BindingDB Entry DOI: 10.7270/Q2V98907
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50328293
PNG
(4-(2-hydroxy-3-(1-(5-(thiophen-2-yl)thieno[2,3-d]p...)
Show SMILES OC(CNC1CCN(CC1)c1ncnc2scc(-c3cccs3)c12)COc1ccc(O)cc1
Show InChI InChI=1S/C24H26N4O3S2/c29-17-3-5-19(6-4-17)31-13-18(30)12-25-16-7-9-28(10-8-16)23-22-20(21-2-1-11-32-21)14-33-24(22)27-15-26-23/h1-6,11,14-16,18,25,29-30H,7-10,12-13H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 1.80n/an/an/an/a



4SC AG

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant adrenergic beta1 receptor expressed in CHO cells assessed as cyclic AMP formation by HTRF assay


Bioorg Med Chem Lett 20: 6108-15 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.039
BindingDB Entry DOI: 10.7270/Q2WM1DNR
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (human))
BDBM50301253
PNG
(4-guanidino-N-(4-(2-(2-hydroxy-2-(5-hydroxy-3-oxo-...)
Show SMILES CC(C)(Cc1ccc(NC(=O)CCCN=C(N)N)cc1)NCC(O)c1ccc(O)c2NC(=O)COc12
Show InChI InChI=1S/C25H34N6O5/c1-25(2,12-15-5-7-16(8-6-15)30-20(34)4-3-11-28-24(26)27)29-13-19(33)17-9-10-18(32)22-23(17)36-14-21(35)31-22/h5-10,19,29,32-33H,3-4,11-14H2,1-2H3,(H,30,34)(H,31,35)(H4,26,27,28)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.80n/an/an/an/a



Boehringer Ingelheim Pharma GmbH& Co. KG

Curated by ChEMBL


Assay Description
Agonist activity at human beta-1 adrenoceptor expressed in CHOK1 cell assessed as increase of intracellular cAMP level


Bioorg Med Chem Lett 19: 5237-40 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.104
BindingDB Entry DOI: 10.7270/Q2PN95Q8
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 10539 total )  |  Next  |  Last  >>
Jump to: