BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 543 hits Enz. Inhib. hit(s) with Target = 'Adrenergic receptor beta'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adrenergic receptor beta


(Rattus norvegicus)
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
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.100n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Inhibition of spontaneous contractions in isolated rat uterus


J Med Chem 46: 105-12 (2002)


Article DOI: 10.1021/jm020177z
BindingDB Entry DOI: 10.7270/Q2BP03J1
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50212981
PNG
(CHEMBL543099 | SR-59062A)
Show SMILES Cl.CCOC(=O)CCc1ccc2CC[C@H](Cc2c1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C23H28ClNO3.ClH/c1-2-28-23(27)11-7-16-6-8-17-9-10-21(14-19(17)12-16)25-15-22(26)18-4-3-5-20(24)13-18;/h3-6,8,12-13,21-22,25-26H,2,7,9-11,14-15H2,1H3;1H/t21-,22+;/m1./s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.900n/an/an/an/an/an/a


TBA

Assay Description
Beta-adrenergic agonistic activity in rat proximal colon in presence of phentolamine (10 uM), desmethylimipramine (0.5 uM) and hydrocortisone (30 uM)


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


(Rattus norvegicus (Rat))
BDBM50212980
PNG
(CHEMBL553039 | SR-58997A)
Show SMILES Cl.CCOC(=O)CCc1ccc2CC[C@@H](Cc2c1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C23H28ClNO3.ClH/c1-2-28-23(27)11-7-16-6-8-17-9-10-21(14-19(17)12-16)25-15-22(26)18-4-3-5-20(24)13-18;/h3-6,8,12-13,21-22,25-26H,2,7,9-11,14-15H2,1H3;1H/t21-,22-;/m0./s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

n/an/a 1.10n/an/an/an/an/an/a


TBA

Assay Description
Beta-adrenergic agonistic activity in rat proximal colon in presence of phentolamine (10 uM), desmethylimipramine (0.5 uM) and hydrocortisone (30 uM)


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


(Homo sapiens (Human)-Homo sapiens (human))
BDBM25764
PNG
(ALPRENOLOL,(+) | ALPRENOLOL,(-) | Alfeprol | Alphe...)
Show SMILES CC(C)NCC(O)COc1ccccc1CC=C
Show InChI InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.30n/an/an/an/an/an/a



Nippon Roche Research Center, 200 Kajiwara, Kamakura, 247-8530, Kanagawa, Japan.

Curated by ChEMBL


Assay Description
Compound was evaluated for its Beta adrenergic receptor blocking action


Bioorg Med Chem Lett 11: 1833-7 (2001)


Article DOI: 10.1016/s0960-894x(01)00319-5
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50212977
PNG
(AMIBEGRON HYDROCHLORIDE | Amibegron HCl | SR-58611...)
Show SMILES Cl.CCOC(=O)COc1ccc2CC[C@@H](Cc2c1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C22H26ClNO4.ClH/c1-2-27-22(26)14-28-20-9-7-15-6-8-19(11-17(15)12-20)24-13-21(25)16-4-3-5-18(23)10-16;/h3-5,7,9-10,12,19,21,24-25H,2,6,8,11,13-14H2,1H3;1H/t19-,21-;/m0./s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 3.5n/an/an/an/an/an/a


TBA

Assay Description
Beta-adrenergic agonistic activity in rat proximal colon in presence of phentolamine (10 uM), desmethylimipramine (0.5 uM) and hydrocortisone (30 uM)


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


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50218691
PNG
(CHEMBL51667)
Show SMILES CCOC(=O)c1oc2cccc(OCC(O)CNC(C)(C)C)c2c1C
Show InChI InChI=1S/C19H27NO5/c1-6-23-18(22)17-12(2)16-14(8-7-9-15(16)25-17)24-11-13(21)10-20-19(3,4)5/h7-9,13,20-21H,6,10-11H2,1-5H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.30n/an/an/an/an/an/a



Nippon Roche Research Center, 200 Kajiwara, Kamakura, 247-8530, Kanagawa, Japan.

Curated by ChEMBL


Assay Description
Compound was evaluated for its Beta adrenergic receptor blocking action


Bioorg Med Chem Lett 11: 1833-7 (2001)


Article DOI: 10.1016/s0960-894x(01)00319-5
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
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

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.30n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for beta-adrenergic activity against beta-1 adrenergic receptor by the inhibition of insulin stimulated [14C]- glucos...


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
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50285930
PNG
(CHEMBL421193 | Disodium salt of (S)-6-[(R)-2-(3-Ch...)
Show SMILES O[C@@H](CN[C@H]1CCCc2cc3OC(Oc3cc2C1)(C([O-])=O)C([O-])=O)c1cccc(Cl)c1
Show InChI InChI=1S/C22H22ClNO7/c23-15-5-1-4-13(7-15)17(25)11-24-16-6-2-3-12-9-18-19(10-14(12)8-16)31-22(30-18,20(26)27)21(28)29/h1,4-5,7,9-10,16-17,24-25H,2-3,6,8,11H2,(H,26,27)(H,28,29)/p-2/t16-,17-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonistic activity against Beta-3 adrenergic receptor in rat colon


Bioorg Med Chem Lett 5: 2821-2824 (1995)


Article DOI: 10.1016/0960-894X(95)00483-A
BindingDB Entry DOI: 10.7270/Q2PC32B2
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
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 9.10n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Inhibition of spontaneous contractions in isolated rat uterus


J Med Chem 46: 105-12 (2002)


Article DOI: 10.1021/jm020177z
BindingDB Entry DOI: 10.7270/Q2BP03J1
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
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 9.12n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Agonistic activity towards beta-2 adrenoceptor. Mean concentration required to produce 50% inhibition of uterine contraction


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 beta


(Rattus norvegicus (Rat))
BDBM50212979
PNG
(CHEMBL543333)
Show SMILES Cl.CCOC(=O)CCc1ccc2CCC(Cc2c1)NCC(O)c1cccc(Cl)c1
Show InChI InChI=1S/C23H28ClNO3.ClH/c1-2-28-23(27)11-7-16-6-8-17-9-10-21(14-19(17)12-16)25-15-22(26)18-4-3-5-20(24)13-18;/h3-6,8,12-13,21-22,25-26H,2,7,9-11,14-15H2,1H3;1H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 21n/an/an/an/an/an/a


TBA

Assay Description
Beta-adrenergic agonistic activity in rat proximal colon


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


(Rattus norvegicus)
BDBM97162
PNG
(MLS002153782 | RITODRINE | RITODRINE HYDROCHLORIDE...)
Show SMILES C[C@H](NCCc1ccc(O)cc1)[C@H](O)c1ccc(O)cc1
Show InChI InChI=1S/C17H21NO3/c1-12(17(21)14-4-8-16(20)9-5-14)18-11-10-13-2-6-15(19)7-3-13/h2-9,12,17-21H,10-11H2,1H3/t12-,17-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 24.0n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Agonistic activity towards beta-2 adrenoceptor. Mean concentration required to produce 50% inhibition of uterine contraction


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 beta


(Rattus norvegicus)
BDBM50002132
PNG
((4-{(R)-2-[(R)-2-(3-Chloro-phenyl)-2-hydroxy-ethyl...)
Show SMILES COC(=O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C20H24ClNO4/c1-14(22-12-19(23)16-4-3-5-17(21)11-16)10-15-6-8-18(9-7-15)26-13-20(24)25-2/h3-9,11,14,19,22-23H,10,12-13H2,1-2H3/t14-,19+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards Beta-2 adrenergic receptor in rat soleus membrane by displacing (-)-isoproterenol (50 microM)


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
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50212977
PNG
(AMIBEGRON HYDROCHLORIDE | Amibegron HCl | SR-58611...)
Show SMILES Cl.CCOC(=O)COc1ccc2CC[C@@H](Cc2c1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C22H26ClNO4.ClH/c1-2-27-22(26)14-28-20-9-7-15-6-8-19(11-17(15)12-20)24-13-21(25)16-4-3-5-18(23)10-16;/h3-5,7,9-10,12,19,21,24-25H,2,6,8,11,13-14H2,1H3;1H/t19-,21-;/m0./s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 47n/an/an/an/an/an/a


TBA

Assay Description
Beta-adrenergic agonistic activity in rat proximal colon


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


(Rattus norvegicus (Rat))
BDBM50002132
PNG
((4-{(R)-2-[(R)-2-(3-Chloro-phenyl)-2-hydroxy-ethyl...)
Show SMILES COC(=O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C20H24ClNO4/c1-14(22-12-19(23)16-4-3-5-17(21)11-16)10-15-6-8-18(9-7-15)26-13-20(24)25-2/h3-9,11,14,19,22-23H,10,12-13H2,1-2H3/t14-,19+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 59n/an/an/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
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50409479
PNG
(CHEMBL32933)
Show SMILES C[C@H](NCCc1ccc(NCC(O)=O)cc1Cl)[C@H](O)c1ccc(O)cc1
Show InChI InChI=1S/C19H23ClN2O4/c1-12(19(26)14-3-6-16(23)7-4-14)21-9-8-13-2-5-15(10-17(13)20)22-11-18(24)25/h2-7,10,12,19,21-23,26H,8-9,11H2,1H3,(H,24,25)/t12-,19-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 61.7n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Agonistic activity towards beta-2 adrenoceptor. Mean concentration required to produce 50% inhibition of uterine contraction


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 beta


(Rattus norvegicus (Rat))
BDBM50212978
PNG
(CHEMBL541542)
Show SMILES Cl.CCOC(=O)c1ccc2CCC(Cc2c1)NCC(O)c1cccc(Cl)c1
Show InChI InChI=1S/C21H24ClNO3.ClH/c1-2-26-21(25)16-7-6-14-8-9-19(12-17(14)10-16)23-13-20(24)15-4-3-5-18(22)11-15;/h3-7,10-11,19-20,23-24H,2,8-9,12-13H2,1H3;1H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 90n/an/an/an/an/an/a


TBA

Assay Description
Beta-adrenergic agonistic activity in rat proximal colon


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


(Homo sapiens (Human)-Homo sapiens (human))
BDBM96235
PNG
(4-[2-hydroxy-3-(isopropylamino)propoxy]-3-methyl-c...)
Show SMILES CCOC(=O)c1oc2cccc(OCC(O)CNC(C)C)c2c1C
Show InChI InChI=1S/C18H25NO5/c1-5-22-18(21)17-12(4)16-14(7-6-8-15(16)24-17)23-10-13(20)9-19-11(2)3/h6-8,11,13,19-20H,5,9-10H2,1-4H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 98n/an/an/an/an/an/a



Nippon Roche Research Center, 200 Kajiwara, Kamakura, 247-8530, Kanagawa, Japan.

Curated by ChEMBL


Assay Description
Compound was evaluated for its Beta adrenergic receptor blocking action


Bioorg Med Chem Lett 11: 1833-7 (2001)


Article DOI: 10.1016/s0960-894x(01)00319-5
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM50212978
PNG
(CHEMBL541542)
Show SMILES Cl.CCOC(=O)c1ccc2CCC(Cc2c1)NCC(O)c1cccc(Cl)c1
Show InChI InChI=1S/C21H24ClNO3.ClH/c1-2-26-21(25)16-7-6-14-8-9-19(12-17(14)10-16)23-13-20(24)15-4-3-5-18(22)11-15;/h3-7,10-11,19-20,23-24H,2,8-9,12-13H2,1H3;1H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 185n/an/an/an/an/an/a


TBA

Assay Description
Beta-adrenergic agonistic activity in rat uterus preincubated with phenoxybenzamine (12 uM) for 30 min


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


(Rattus norvegicus (Rat))
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
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 190n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for beta-adrenergic activity against beta-1 adrenergic receptor by the inhibition of insulin stimulated [14C]- glucos...


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
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50409484
PNG
(CHEMBL32470)
Show SMILES C[C@H](NCCc1ccc(cc1)N(CC(O)=O)Cc1ccccc1)[C@H](O)c1ccc(O)cc1
Show InChI InChI=1S/C26H30N2O4/c1-19(26(32)22-9-13-24(29)14-10-22)27-16-15-20-7-11-23(12-8-20)28(18-25(30)31)17-21-5-3-2-4-6-21/h2-14,19,26-27,29,32H,15-18H2,1H3,(H,30,31)/t19-,26-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 251n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Agonistic activity towards beta-2 adrenoceptor. Mean concentration required to produce 50% inhibition of uterine contraction


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 beta


(Rattus norvegicus)
BDBM50409476
PNG
(CHEMBL289670)
Show SMILES C[C@H](NCCc1ccc(cc1)N(CC(O)=O)CC(O)=O)[C@H](O)c1ccc(O)cc1
Show InChI InChI=1S/C21H26N2O6/c1-14(21(29)16-4-8-18(24)9-5-16)22-11-10-15-2-6-17(7-3-15)23(12-19(25)26)13-20(27)28/h2-9,14,21-22,24,29H,10-13H2,1H3,(H,25,26)(H,27,28)/t14-,21-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 282n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Agonistic activity towards beta-2 adrenoceptor. Mean concentration required to produce 50% inhibition of uterine contraction


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 beta


(Rattus norvegicus (Rat))
BDBM50212980
PNG
(CHEMBL553039 | SR-58997A)
Show SMILES Cl.CCOC(=O)CCc1ccc2CC[C@@H](Cc2c1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C23H28ClNO3.ClH/c1-2-28-23(27)11-7-16-6-8-17-9-10-21(14-19(17)12-16)25-15-22(26)18-4-3-5-20(24)13-18;/h3-6,8,12-13,21-22,25-26H,2,7,9-11,14-15H2,1H3;1H/t21-,22-;/m0./s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

n/an/a 319n/an/an/an/an/an/a


TBA

Assay Description
Beta-adrenergic agonistic activity in rat uterus preincubated with phenoxybenzamine (12 uM) for 30 min


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


(Rattus norvegicus (Rat))
BDBM50212979
PNG
(CHEMBL543333)
Show SMILES Cl.CCOC(=O)CCc1ccc2CCC(Cc2c1)NCC(O)c1cccc(Cl)c1
Show InChI InChI=1S/C23H28ClNO3.ClH/c1-2-28-23(27)11-7-16-6-8-17-9-10-21(14-19(17)12-16)25-15-22(26)18-4-3-5-20(24)13-18;/h3-6,8,12-13,21-22,25-26H,2,7,9-11,14-15H2,1H3;1H
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 350n/an/an/an/an/an/a


TBA

Assay Description
Beta-adrenergic agonistic activity in rat uterus preincubated with phenoxybenzamine (12 uM) for 30 min


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


(Rattus norvegicus (Rat))
BDBM50212981
PNG
(CHEMBL543099 | SR-59062A)
Show SMILES Cl.CCOC(=O)CCc1ccc2CC[C@H](Cc2c1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C23H28ClNO3.ClH/c1-2-28-23(27)11-7-16-6-8-17-9-10-21(14-19(17)12-16)25-15-22(26)18-4-3-5-20(24)13-18;/h3-6,8,12-13,21-22,25-26H,2,7,9-11,14-15H2,1H3;1H/t21-,22+;/m1./s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 480n/an/an/an/an/an/a


TBA

Assay Description
Beta-adrenergic agonistic activity in rat uterus preincubated with phenoxybenzamine (12 uM) for 30 min


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


(Rattus norvegicus (Rat))
BDBM50212977
PNG
(AMIBEGRON HYDROCHLORIDE | Amibegron HCl | SR-58611...)
Show SMILES Cl.CCOC(=O)COc1ccc2CC[C@@H](Cc2c1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C22H26ClNO4.ClH/c1-2-27-22(26)14-28-20-9-7-15-6-8-19(11-17(15)12-20)24-13-21(25)16-4-3-5-18(23)10-16;/h3-5,7,9-10,12,19,21,24-25H,2,6,8,11,13-14H2,1H3;1H/t19-,21-;/m0./s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 499n/an/an/an/an/an/a


TBA

Assay Description
Beta-adrenergic agonistic activity in rat uterus preincubated with phenoxybenzamine (12 uM) for 30 min


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


(Rattus norvegicus (Rat))
BDBM50002132
PNG
((4-{(R)-2-[(R)-2-(3-Chloro-phenyl)-2-hydroxy-ethyl...)
Show SMILES COC(=O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C20H24ClNO4/c1-14(22-12-19(23)16-4-3-5-17(21)11-16)10-15-6-8-18(9-7-15)26-13-20(24)25-2/h3-9,11,14,19,22-23H,10,12-13H2,1-2H3/t14-,19+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 500n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for beta-adrenergic activity against beta-1 adrenergic receptor by the inhibition of insulin stimulated [14C]- glucos...


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
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM25756
PNG
((2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylami...)
Show SMILES COCCc1ccc(OCC(O)CNC(C)C)cc1
Show InChI InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
n/an/a 500n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for beta2-adrenergic blocking effect by measuring the ability to inhibit the relaxing effect of epinephrine on the isolated tracheal muscle of...


Bioorg Med Chem Lett 7: 1273-1274 (1997)


Article DOI: 10.1016/S0960-894X(97)00207-2
BindingDB Entry DOI: 10.7270/Q2SX6D7F
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50122649
PNG
((2-Chloro-4-{2-[2-hydroxy-2-(4-hydroxy-phenyl)-1-m...)
Show SMILES CCOC(=O)COc1ccc(CCNC(C)C(O)c2ccc(O)cc2)cc1Cl
Show InChI InChI=1S/C21H26ClNO5/c1-3-27-20(25)13-28-19-9-4-15(12-18(19)22)10-11-23-14(2)21(26)16-5-7-17(24)8-6-16/h4-9,12,14,21,23-24,26H,3,10-11,13H2,1-2H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 520n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Inhibition of spontaneous contractions in isolated rat uterus


J Med Chem 46: 105-12 (2002)


Article DOI: 10.1021/jm020177z
BindingDB Entry DOI: 10.7270/Q2BP03J1
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
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

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 600n/an/an/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
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50409470
PNG
(CHEMBL32532)
Show SMILES C[C@H](NCCc1ccc(NCC(O)=O)cc1)[C@H](O)c1ccc(O)cc1
Show InChI InChI=1S/C19H24N2O4/c1-13(19(25)15-4-8-17(22)9-5-15)20-11-10-14-2-6-16(7-3-14)21-12-18(23)24/h2-9,13,19-22,25H,10-12H2,1H3,(H,23,24)/t13-,19-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 646n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Agonistic activity towards beta-2 adrenoceptor. Mean concentration required to produce 50% inhibition of uterine contraction


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 beta


(Rattus norvegicus (Rat))
BDBM50212977
PNG
(AMIBEGRON HYDROCHLORIDE | Amibegron HCl | SR-58611...)
Show SMILES Cl.CCOC(=O)COc1ccc2CC[C@@H](Cc2c1)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C22H26ClNO4.ClH/c1-2-27-22(26)14-28-20-9-7-15-6-8-19(11-17(15)12-20)24-13-21(25)16-4-3-5-18(23)10-16;/h3-5,7,9-10,12,19,21,24-25H,2,6,8,11,13-14H2,1H3;1H/t19-,21-;/m0./s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.20E+3n/an/an/an/an/an/a


TBA

Assay Description
Beta-adrenergic agonistic activity in rat uterus preincubated with phenoxybenzamine (12 uM) for 30 min


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


(Rattus norvegicus)
BDBM50409469
PNG
(CHEMBL284520)
Show SMILES C[C@H](NCCc1cc(Cl)c(NCC(O)=O)cc1Cl)[C@H](O)c1ccc(O)cc1
Show InChI InChI=1S/C19H22Cl2N2O4/c1-11(19(27)12-2-4-14(24)5-3-12)22-7-6-13-8-16(21)17(9-15(13)20)23-10-18(25)26/h2-5,8-9,11,19,22-24,27H,6-7,10H2,1H3,(H,25,26)/t11-,19-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.29E+3n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Agonistic activity towards beta-2 adrenoceptor. Mean concentration required to produce 50% inhibition of uterine contraction


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 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
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



American Cyanamid Company

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding affinity towards Beta-2 adrenergic receptor in rat soleus membrane by displacing (-)-isoproterenol (50 microM)


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
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50409475
PNG
(CHEMBL32939)
Show SMILES C[C@H](NCCc1ccc(NCC(O)=O)c(Br)c1)[C@H](O)c1ccc(O)cc1
Show InChI InChI=1S/C19H23BrN2O4/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
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.41E+3n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Agonistic activity towards beta-2 adrenoceptor. Mean concentration required to produce 50% inhibition of uterine contraction


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 beta


(Rattus norvegicus)
BDBM50409471
PNG
(CHEMBL32586)
Show SMILES C[C@H](NCCc1ccc(NC(C)(C)C(O)=O)cc1Cl)[C@H](O)c1ccc(O)cc1
Show InChI InChI=1S/C21H27ClN2O4/c1-13(19(26)15-5-8-17(25)9-6-15)23-11-10-14-4-7-16(12-18(14)22)24-21(2,3)20(27)28/h4-9,12-13,19,23-26H,10-11H2,1-3H3,(H,27,28)/t13-,19-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.41E+3n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Agonistic activity towards beta-2 adrenoceptor. Mean concentration required to produce 50% inhibition of uterine contraction


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 beta


(Rattus norvegicus (Rat))
BDBM50289372
PNG
((S)-1,1-Difluoro-3-isopropylamino-1-[4-(2-methoxy-...)
Show SMILES COCCc1ccc(OC(F)(F)[C@@H](O)CNC(C)C)cc1
Show InChI InChI=1S/C15H23F2NO3/c1-11(2)18-10-14(19)15(16,17)21-13-6-4-12(5-7-13)8-9-20-3/h4-7,11,14,18-19H,8-10H2,1-3H3/t14-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 1.54E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for beta1-adrenergic blocking effect by measuring the ability to inhibit the positive inotropic effect of isoproterenol on the isolated right ...


Bioorg Med Chem Lett 7: 1273-1274 (1997)


Article DOI: 10.1016/S0960-894X(97)00207-2
BindingDB Entry DOI: 10.7270/Q2SX6D7F
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50409480
PNG
(CHEMBL33360)
Show SMILES C[C@H](NCCc1ccc(cc1)N(C)CC(O)=O)[C@H](O)c1ccc(O)cc1
Show InChI InChI=1S/C20H26N2O4/c1-14(20(26)16-5-9-18(23)10-6-16)21-12-11-15-3-7-17(8-4-15)22(2)13-19(24)25/h3-10,14,20-21,23,26H,11-13H2,1-2H3,(H,24,25)/t14-,20-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.58E+3n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Agonistic activity towards beta-2 adrenoceptor. Mean concentration required to produce 50% inhibition of uterine contraction


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 beta


(Rattus norvegicus)
BDBM50409478
PNG
(CHEMBL285888)
Show SMILES C[C@H](NCCc1ccc(NCC(O)=O)c(Cl)c1Cl)[C@H](O)c1ccc(O)cc1
Show InChI InChI=1S/C19H22Cl2N2O4/c1-11(19(27)13-2-5-14(24)6-3-13)22-9-8-12-4-7-15(18(21)17(12)20)23-10-16(25)26/h2-7,11,19,22-24,27H,8-10H2,1H3,(H,25,26)/t11-,19-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Agonistic activity towards beta-2 adrenoceptor. Mean concentration required to produce 50% inhibition of uterine contraction


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 beta


(Rattus norvegicus)
BDBM50409481
PNG
(CHEMBL35738)
Show SMILES C[C@H](NCCc1ccc(NCC(O)=O)c(I)c1)[C@H](O)c1ccc(O)cc1
Show InChI InChI=1S/C19H23IN2O4/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
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.19E+3n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Agonistic activity towards beta-2 adrenoceptor. Mean concentration required to produce 50% inhibition of uterine contraction


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 beta


(Rattus norvegicus)
BDBM50409473
PNG
(CHEMBL33399)
Show SMILES C[C@H](NCCc1cc(Br)c(NCC(O)=O)c(Br)c1)[C@H](O)c1ccc(O)cc1
Show InChI InChI=1S/C19H22Br2N2O4/c1-11(19(27)13-2-4-14(24)5-3-13)22-7-6-12-8-15(20)18(16(21)9-12)23-10-17(25)26/h2-5,8-9,11,19,22-24,27H,6-7,10H2,1H3,(H,25,26)/t11-,19-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.57E+3n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Agonistic activity towards beta-2 adrenoceptor. Mean concentration required to produce 50% inhibition of uterine contraction


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 beta


(Rattus norvegicus (Rat))
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
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.30E+3n/an/an/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
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
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.31E+3n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Agonistic activity towards beta-2 adrenoceptor. Mean concentration required to produce 50% inhibition of uterine contraction


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 beta


(Rattus norvegicus)
BDBM50122648
PNG
((alphaS,betaR)(2-Chloro-4-{2-[2-hydroxy-2-(4-hydro...)
Show SMILES C[C@@H](NCCc1ccc(OCC(O)=O)c(Cl)c1)[C@@H](O)c1ccc(O)cc1
Show InChI InChI=1S/C19H22ClNO5/c1-12(19(25)14-3-5-15(22)6-4-14)21-9-8-13-2-7-17(16(20)10-13)26-11-18(23)24/h2-7,10,12,19,21-22,25H,8-9,11H2,1H3,(H,23,24)/t12-,19-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.40E+3n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Inhibition of spontaneous contractions in isolated rat uterus


J Med Chem 46: 105-12 (2002)


Article DOI: 10.1021/jm020177z
BindingDB Entry DOI: 10.7270/Q2BP03J1
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus)
BDBM50002134
PNG
(5-((2R)-2-{[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl...)
Show SMILES C[C@H](Cc1ccc2OC(Oc2c1)(C([O-])=O)C([O-])=O)NC[C@H](O)c1cccc(Cl)c1
Show InChI InChI=1S/C20H20ClNO7/c1-11(22-10-15(23)13-3-2-4-14(21)9-13)7-12-5-6-16-17(8-12)29-20(28-16,18(24)25)19(26)27/h2-6,8-9,11,15,22-23H,7,10H2,1H3,(H,24,25)(H,26,27)/p-2/t11-,15+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.77E+3n/an/an/an/an/an/a



Kissei Pharmaceutical Company Ltd.

Curated by ChEMBL


Assay Description
Agonistic activity towards beta-2 adrenoceptor. Mean concentration required to produce 50% inhibition of uterine contraction


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 beta


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50289986
PNG
(4-Amino-N-(1-aza-tricyclo[3.3.1.0*3,7*]non-4-yl)-5...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1C2CC3CN(CC13)C2
Show InChI InChI=1S/C16H20ClN3O2/c1-22-14-4-13(18)12(17)3-10(14)16(21)19-15-9-2-8-5-20(6-9)7-11(8)15/h3-4,8-9,11,15H,2,5-7,18H2,1H3,(H,19,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against Beta adrenergic receptor


Bioorg Med Chem Lett 7: 2149-2154 (1997)


Article DOI: 10.1016/S0960-894X(97)00408-3
BindingDB Entry DOI: 10.7270/Q27S7NSJ
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50181836
PNG
(4-Amino-N-(1-aza-tricyclo[3.3.1.0*3,7*]non-4-yl)-5...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1C2CC3CN(CC13)C2
Show InChI InChI=1S/C16H20ClN3O2/c1-22-14-4-13(18)12(17)3-10(14)16(21)19-15-9-2-8-5-20(6-9)7-11(8)15/h3-4,8-9,11,15H,2,5-7,18H2,1H3,(H,19,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Concentration required for inhibition of beta adrenergic receptor


Bioorg Med Chem Lett 14: 5509-12 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.005
BindingDB Entry DOI: 10.7270/Q2NV9K0K
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50284689
PNG
(7-Chloro-2-((E)-2-{3-[4-(2-methyl-imidazo[4,5-c]py...)
Show SMILES Cc1nc2cnccc2n1-c1ccc(OCc2cccc(\C=C\c3ccc4ccc(Cl)cc4n3)c2)cc1
Show InChI InChI=1S/C31H23ClN4O/c1-21-34-30-19-33-16-15-31(30)36(21)27-11-13-28(14-12-27)37-20-23-4-2-3-22(17-23)5-9-26-10-7-24-6-8-25(32)18-29(24)35-26/h2-19H,20H2,1H3/b9-5+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against Beta adrenergic receptor


Bioorg Med Chem Lett 5: 1377-1382 (1995)


Article DOI: 10.1016/0960-894X(95)00227-K
BindingDB Entry DOI: 10.7270/Q2M045D5
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50009073
PNG
(4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol...)
Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(NC(=O)OC3CCCC3)cc12)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against Beta adrenergic receptor


Bioorg Med Chem Lett 5: 1377-1382 (1995)


Article DOI: 10.1016/0960-894X(95)00227-K
BindingDB Entry DOI: 10.7270/Q2M045D5
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50284690
PNG
(1-(4-{3-[(E)-2-(5-Fluoro-benzothiazol-2-yl)-vinyl]...)
Show SMILES Cc1nc2cnccc2n1-c1ccc(OCc2cccc(\C=C\c3nc4cc(F)ccc4s3)c2)cc1
Show InChI InChI=1S/C29H21FN4OS/c1-19-32-26-17-31-14-13-27(26)34(19)23-7-9-24(10-8-23)35-18-21-4-2-3-20(15-21)5-12-29-33-25-16-22(30)6-11-28(25)36-29/h2-17H,18H2,1H3/b12-5+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against Beta adrenergic receptor


Bioorg Med Chem Lett 5: 1377-1382 (1995)


Article DOI: 10.1016/0960-894X(95)00227-K
BindingDB Entry DOI: 10.7270/Q2M045D5
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 543 total )  |  Next  |  Last  >>
Jump to: