BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 162 hits Enz. Inhib. hit(s) with all data for entry = 50038887   
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-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50378069
PNG
(CHEMBL1204004)
Show SMILES O[C@@H](CNCCc1ccc(Nc2ccccc2)cc1)COc1ccccc1 |r|
Show InChI InChI=1S/C23H26N2O2/c26-22(18-27-23-9-5-2-6-10-23)17-24-16-15-19-11-13-21(14-12-19)25-20-7-3-1-4-8-20/h1-14,22,24-26H,15-18H2/t22-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 310n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta3 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoassa...

Bioorg Med Chem 17: 5510-9 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.06.031
BindingDB Entry DOI: 10.7270/Q23F4QKV
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50378070
PNG
(CHEMBL1203997)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2)cc1)COc1ccccc1 |r|
Show InChI InChI=1S/C24H26N2O3/c27-22(18-29-23-9-5-2-6-10-23)17-25-16-15-19-11-13-21(14-12-19)26-24(28)20-7-3-1-4-8-20/h1-14,22,25,27H,15-18H2,(H,26,28)/t22-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 330n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta3 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoassa...

Bioorg Med Chem 17: 5510-9 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.06.031
BindingDB Entry DOI: 10.7270/Q23F4QKV
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50378071
PNG
(CHEMBL1203992)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Oc2ccccc2)cc1)COc1ccccc1 |r|
Show InChI InChI=1S/C24H26N2O4/c27-21(18-29-22-7-3-1-4-8-22)17-25-16-15-19-11-13-20(14-12-19)26-24(28)30-23-9-5-2-6-10-23/h1-14,21,25,27H,15-18H2,(H,26,28)/t21-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 570n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta3 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoassa...

Bioorg Med Chem 17: 5510-9 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.06.031
BindingDB Entry DOI: 10.7270/Q23F4QKV
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50378072
PNG
(CHEMBL1204383)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Nc2ccccc2)cc1)COc1ccccc1
Show InChI InChI=1S/C24H27N3O3/c28-22(18-30-23-9-5-2-6-10-23)17-25-16-15-19-11-13-21(14-12-19)27-24(29)26-20-7-3-1-4-8-20/h1-14,22,25,28H,15-18H2,(H2,26,27,29)/t22-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 380n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta3 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoassa...

Bioorg Med Chem 17: 5510-9 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.06.031
BindingDB Entry DOI: 10.7270/Q23F4QKV
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50378061
PNG
(CHEMBL1203993)
Show SMILES O[C@@H](CNCCc1ccc(NC(=S)Nc2ccccc2)cc1)COc1ccccc1 |r|
Show InChI InChI=1S/C24H27N3O2S/c28-22(18-29-23-9-5-2-6-10-23)17-25-16-15-19-11-13-21(14-12-19)27-24(30)26-20-7-3-1-4-8-20/h1-14,22,25,28H,15-18H2,(H2,26,27,30)/t22-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 700n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta3 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoassa...

Bioorg Med Chem 17: 5510-9 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.06.031
BindingDB Entry DOI: 10.7270/Q23F4QKV
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50378062
PNG
(CHEMBL1204005)
Show SMILES O[C@@H](CNCCc1ccc(cc1)N=C(NC#N)Nc1ccccc1)COc1ccccc1 |r,w:12.12|
Show InChI InChI=1S/C25H27N5O2/c26-19-28-25(29-21-7-3-1-4-8-21)30-22-13-11-20(12-14-22)15-16-27-17-23(31)18-32-24-9-5-2-6-10-24/h1-14,23,27,31H,15-18H2,(H2,28,29,30)/t23-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 550n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta3 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoassa...

Bioorg Med Chem 17: 5510-9 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.06.031
BindingDB Entry DOI: 10.7270/Q23F4QKV
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50070132
PNG
((S)-N-(4-(2-(2-hydroxy-3-(4-hydroxyphenoxy)propyla...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccccc2)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C23H26N2O5S/c26-20-10-12-22(13-11-20)30-17-21(27)16-24-15-14-18-6-8-19(9-7-18)25-31(28,29)23-4-2-1-3-5-23/h1-13,21,24-27H,14-17H2/t21-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 730n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta3 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoassa...

Bioorg Med Chem 17: 5510-9 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.06.031
BindingDB Entry DOI: 10.7270/Q23F4QKV
More data for this
Ligand-Target Pair
Beta-3 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
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents

Similars
DrugBank
PDB
Article
PubMed
n/an/an/an/a 1.00E+3n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta3 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoassa...

Bioorg Med Chem 17: 5510-9 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.06.031
BindingDB Entry DOI: 10.7270/Q23F4QKV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50378063
PNG
(CHEMBL1203988)
Show SMILES O[C@@H](CNCCc1ccc(NC(=S)NC2CCCCC2)cc1)COc1ccccc1 |r|
Show InChI InChI=1S/C24H33N3O2S/c28-22(18-29-23-9-5-2-6-10-23)17-25-16-15-19-11-13-21(14-12-19)27-24(30)26-20-7-3-1-4-8-20/h2,5-6,9-14,20,22,25,28H,1,3-4,7-8,15-18H2,(H2,26,27,30)/t22-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 460n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta3 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoassa...

Bioorg Med Chem 17: 5510-9 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.06.031
BindingDB Entry DOI: 10.7270/Q23F4QKV
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50378064
PNG
(CHEMBL1204006)
Show SMILES O[C@@H](CNCCc1ccc(NC(=S)NCc2ccccc2)cc1)COc1ccccc1 |r|
Show InChI InChI=1S/C25H29N3O2S/c29-23(19-30-24-9-5-2-6-10-24)18-26-16-15-20-11-13-22(14-12-20)28-25(31)27-17-21-7-3-1-4-8-21/h1-14,23,26,29H,15-19H2,(H2,27,28,31)/t23-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 530n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta3 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoassa...

Bioorg Med Chem 17: 5510-9 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.06.031
BindingDB Entry DOI: 10.7270/Q23F4QKV
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50378065
PNG
(CHEMBL1203987)
Show SMILES O[C@@H](CNCCc1ccc(NC(=S)NCCc2ccccc2)cc1)COc1ccccc1 |r|
Show InChI InChI=1S/C26H31N3O2S/c30-24(20-31-25-9-5-2-6-10-25)19-27-17-15-22-11-13-23(14-12-22)29-26(32)28-18-16-21-7-3-1-4-8-21/h1-14,24,27,30H,15-20H2,(H2,28,29,32)/t24-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 340n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta3 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoassa...

Bioorg Med Chem 17: 5510-9 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.06.031
BindingDB Entry DOI: 10.7270/Q23F4QKV
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50295328
PNG
((S)-1-(2-Chlorophenyl)-3-(4-{2-[(2-hydroxy-3-pheno...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=S)Nc2ccccc2Cl)cc1)COc1ccccc1 |r|
Show InChI InChI=1S/C24H26ClN3O2S/c25-22-8-4-5-9-23(22)28-24(31)27-19-12-10-18(11-13-19)14-15-26-16-20(29)17-30-21-6-2-1-3-7-21/h1-13,20,26,29H,14-17H2,(H2,27,28,31)/t20-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 610n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta3 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoassa...

Bioorg Med Chem 17: 5510-9 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.06.031
BindingDB Entry DOI: 10.7270/Q23F4QKV
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50295329
PNG
((S)-1-(3-Chlorophenyl)-3-(4-{2-[(2-hydroxy-3-pheno...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=S)Nc2cccc(Cl)c2)cc1)COc1ccccc1 |r|
Show InChI InChI=1S/C24H26ClN3O2S/c25-19-5-4-6-21(15-19)28-24(31)27-20-11-9-18(10-12-20)13-14-26-16-22(29)17-30-23-7-2-1-3-8-23/h1-12,15,22,26,29H,13-14,16-17H2,(H2,27,28,31)/t22-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 610n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta3 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoassa...

Bioorg Med Chem 17: 5510-9 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.06.031
BindingDB Entry DOI: 10.7270/Q23F4QKV
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50295330
PNG
((S)-1-(4-Chlorophenyl)-3-(4-{2-[(2-hydroxy-3-pheno...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(Cl)cc2)cc1)COc1ccccc1 |r|
Show InChI InChI=1S/C24H26ClN3O2S/c25-19-8-12-21(13-9-19)28-24(31)27-20-10-6-18(7-11-20)14-15-26-16-22(29)17-30-23-4-2-1-3-5-23/h1-13,22,26,29H,14-17H2,(H2,27,28,31)/t22-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 550n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta3 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoassa...

Bioorg Med Chem 17: 5510-9 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.06.031
BindingDB Entry DOI: 10.7270/Q23F4QKV
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50378066
PNG
(CHEMBL1203994)
Show SMILES O[C@@H](CNCCc1ccc(NC(=S)Nc2ccccc2[N+]([O-])=O)cc1)COc1ccccc1 |r|
Show InChI InChI=1S/C24H26N4O4S/c29-20(17-32-21-6-2-1-3-7-21)16-25-15-14-18-10-12-19(13-11-18)26-24(33)27-22-8-4-5-9-23(22)28(30)31/h1-13,20,25,29H,14-17H2,(H2,26,27,33)/t20-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 450n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta3 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoassa...

Bioorg Med Chem 17: 5510-9 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.06.031
BindingDB Entry DOI: 10.7270/Q23F4QKV
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50378067
PNG
(CHEMBL1203989)
Show SMILES O[C@@H](CNCCc1ccc(NC(=S)Nc2cccc(c2)[N+]([O-])=O)cc1)COc1ccccc1 |r|
Show InChI InChI=1S/C24H26N4O4S/c29-22(17-32-23-7-2-1-3-8-23)16-25-14-13-18-9-11-19(12-10-18)26-24(33)27-20-5-4-6-21(15-20)28(30)31/h1-12,15,22,25,29H,13-14,16-17H2,(H2,26,27,33)/t22-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 450n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta3 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoassa...

Bioorg Med Chem 17: 5510-9 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.06.031
BindingDB Entry DOI: 10.7270/Q23F4QKV
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50378073
PNG
(CHEMBL1203990)
Show SMILES O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(cc2)[N+]([O-])=O)cc1)COc1ccccc1 |r|
Show InChI InChI=1S/C24H26N4O4S/c29-22(17-32-23-4-2-1-3-5-23)16-25-15-14-18-6-8-19(9-7-18)26-24(33)27-20-10-12-21(13-11-20)28(30)31/h1-13,22,25,29H,14-17H2,(H2,26,27,33)/t22-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 880n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta3 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoassa...

Bioorg Med Chem 17: 5510-9 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.06.031
BindingDB Entry DOI: 10.7270/Q23F4QKV
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50378074
PNG
(CHEMBL1203995)
Show SMILES COc1ccccc1NC(=S)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 |r|
Show InChI InChI=1S/C25H29N3O3S/c1-30-24-10-6-5-9-23(24)28-25(32)27-20-13-11-19(12-14-20)15-16-26-17-21(29)18-31-22-7-3-2-4-8-22/h2-14,21,26,29H,15-18H2,1H3,(H2,27,28,32)/t21-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 760n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta3 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoassa...

Bioorg Med Chem 17: 5510-9 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.06.031
BindingDB Entry DOI: 10.7270/Q23F4QKV
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50378075
PNG
(CHEMBL1203996)
Show SMILES COc1cccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)c1 |r|
Show InChI InChI=1S/C25H29N3O3S/c1-30-24-9-5-6-21(16-24)28-25(32)27-20-12-10-19(11-13-20)14-15-26-17-22(29)18-31-23-7-3-2-4-8-23/h2-13,16,22,26,29H,14-15,17-18H2,1H3,(H2,27,28,32)/t22-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 810n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta3 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoassa...

Bioorg Med Chem 17: 5510-9 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.06.031
BindingDB Entry DOI: 10.7270/Q23F4QKV
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50378076
PNG
(CHEMBL1204007)
Show SMILES COc1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 |r|
Show InChI InChI=1S/C25H29N3O3S/c1-30-23-13-11-21(12-14-23)28-25(32)27-20-9-7-19(8-10-20)15-16-26-17-22(29)18-31-24-5-3-2-4-6-24/h2-14,22,26,29H,15-18H2,1H3,(H2,27,28,32)/t22-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 630n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta3 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoassa...

Bioorg Med Chem 17: 5510-9 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.06.031
BindingDB Entry DOI: 10.7270/Q23F4QKV
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50378077
PNG
(CHEMBL1204001)
Show SMILES O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(F)cc2)cc1)COc1ccccc1 |r|
Show InChI InChI=1S/C24H26FN3O2S/c25-19-8-12-21(13-9-19)28-24(31)27-20-10-6-18(7-11-20)14-15-26-16-22(29)17-30-23-4-2-1-3-5-23/h1-13,22,26,29H,14-17H2,(H2,27,28,31)/t22-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 580n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta3 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoassa...

Bioorg Med Chem 17: 5510-9 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.06.031
BindingDB Entry DOI: 10.7270/Q23F4QKV
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50378078
PNG
(CHEMBL1203998)
Show SMILES O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(Br)cc2)cc1)COc1ccccc1 |r|
Show InChI InChI=1S/C24H26BrN3O2S/c25-19-8-12-21(13-9-19)28-24(31)27-20-10-6-18(7-11-20)14-15-26-16-22(29)17-30-23-4-2-1-3-5-23/h1-13,22,26,29H,14-17H2,(H2,27,28,31)/t22-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 460n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta3 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoassa...

Bioorg Med Chem 17: 5510-9 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.06.031
BindingDB Entry DOI: 10.7270/Q23F4QKV
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50378079
PNG
(CHEMBL1204002)
Show SMILES O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(I)cc2)cc1)COc1ccccc1 |r|
Show InChI InChI=1S/C24H26IN3O2S/c25-19-8-12-21(13-9-19)28-24(31)27-20-10-6-18(7-11-20)14-15-26-16-22(29)17-30-23-4-2-1-3-5-23/h1-13,22,26,29H,14-17H2,(H2,27,28,31)/t22-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 570n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta3 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoassa...

Bioorg Med Chem 17: 5510-9 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.06.031
BindingDB Entry DOI: 10.7270/Q23F4QKV
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50378080
PNG
(CHEMBL1203999)
Show SMILES COC(=O)c1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 |r|
Show InChI InChI=1S/C26H29N3O4S/c1-32-25(31)20-9-13-22(14-10-20)29-26(34)28-21-11-7-19(8-12-21)15-16-27-17-23(30)18-33-24-5-3-2-4-6-24/h2-14,23,27,30H,15-18H2,1H3,(H2,28,29,34)/t23-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 370n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta3 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoassa...

Bioorg Med Chem 17: 5510-9 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.06.031
BindingDB Entry DOI: 10.7270/Q23F4QKV
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50378081
PNG
(CHEMBL1203991)
Show SMILES NS(=O)(=O)c1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 |r|
Show InChI InChI=1S/C24H28N4O4S2/c25-34(30,31)23-12-10-20(11-13-23)28-24(33)27-19-8-6-18(7-9-19)14-15-26-16-21(29)17-32-22-4-2-1-3-5-22/h1-13,21,26,29H,14-17H2,(H2,25,30,31)(H2,27,28,33)/t21-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 490n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta3 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoassa...

Bioorg Med Chem 17: 5510-9 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.06.031
BindingDB Entry DOI: 10.7270/Q23F4QKV
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50378082
PNG
(CHEMBL1204000)
Show SMILES Cc1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 |r|
Show InChI InChI=1S/C25H29N3O2S/c1-19-7-11-21(12-8-19)27-25(31)28-22-13-9-20(10-14-22)15-16-26-17-23(29)18-30-24-5-3-2-4-6-24/h2-14,23,26,29H,15-18H2,1H3,(H2,27,28,31)/t23-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/an/an/a 600n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta3 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoassa...

Bioorg Med Chem 17: 5510-9 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.06.031
BindingDB Entry DOI: 10.7270/Q23F4QKV
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50295318
PNG
((S)-N-(4-(2-(2-hydroxy-3-phenoxypropylamino)ethyl)...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccccc2)cc1)COc1ccccc1 |r|
Show InChI InChI=1S/C23H26N2O4S/c26-21(18-29-22-7-3-1-4-8-22)17-24-16-15-19-11-13-20(14-12-19)25-30(27,28)23-9-5-2-6-10-23/h1-14,21,24-26H,15-18H2/t21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta2 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoassa...

Bioorg Med Chem 17: 5510-9 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.06.031
BindingDB Entry DOI: 10.7270/Q23F4QKV
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50378068
PNG
(CHEMBL1204003)
Show SMILES O[C@H](CNCCc1ccc(cc1)S(=O)(=O)Nc1ccccc1)COc1ccccc1 |r|
Show InChI InChI=1S/C23H26N2O4S/c26-21(18-29-22-9-5-2-6-10-22)17-24-16-15-19-11-13-23(14-12-19)30(27,28)25-20-7-3-1-4-8-20/h1-14,21,24-26H,15-18H2/t21-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta2 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoassa...

Bioorg Med Chem 17: 5510-9 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.06.031
BindingDB Entry DOI: 10.7270/Q23F4QKV
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50378069
PNG
(CHEMBL1204004)
Show SMILES O[C@@H](CNCCc1ccc(Nc2ccccc2)cc1)COc1ccccc1 |r|
Show InChI InChI=1S/C23H26N2O2/c26-22(18-27-23-9-5-2-6-10-23)17-24-16-15-19-11-13-21(14-12-19)25-20-7-3-1-4-8-20/h1-14,22,24-26H,15-18H2/t22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta2 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoassa...

Bioorg Med Chem 17: 5510-9 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.06.031
BindingDB Entry DOI: 10.7270/Q23F4QKV
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50378070
PNG
(CHEMBL1203997)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2)cc1)COc1ccccc1 |r|
Show InChI InChI=1S/C24H26N2O3/c27-22(18-29-23-9-5-2-6-10-23)17-25-16-15-19-11-13-21(14-12-19)26-24(28)20-7-3-1-4-8-20/h1-14,22,25,27H,15-18H2,(H,26,28)/t22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta2 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoassa...

Bioorg Med Chem 17: 5510-9 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.06.031
BindingDB Entry DOI: 10.7270/Q23F4QKV
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50378071
PNG
(CHEMBL1203992)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Oc2ccccc2)cc1)COc1ccccc1 |r|
Show InChI InChI=1S/C24H26N2O4/c27-21(18-29-22-7-3-1-4-8-22)17-25-16-15-19-11-13-20(14-12-19)26-24(28)30-23-9-5-2-6-10-23/h1-14,21,25,27H,15-18H2,(H,26,28)/t21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta2 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoassa...

Bioorg Med Chem 17: 5510-9 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.06.031
BindingDB Entry DOI: 10.7270/Q23F4QKV
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50378072
PNG
(CHEMBL1204383)
Show SMILES O[C@@H](CNCCc1ccc(NC(=O)Nc2ccccc2)cc1)COc1ccccc1
Show InChI InChI=1S/C24H27N3O3/c28-22(18-30-23-9-5-2-6-10-23)17-25-16-15-19-11-13-21(14-12-19)27-24(29)26-20-7-3-1-4-8-20/h1-14,22,25,28H,15-18H2,(H2,26,27,29)/t22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta2 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoassa...

Bioorg Med Chem 17: 5510-9 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.06.031
BindingDB Entry DOI: 10.7270/Q23F4QKV
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50378061
PNG
(CHEMBL1203993)
Show SMILES O[C@@H](CNCCc1ccc(NC(=S)Nc2ccccc2)cc1)COc1ccccc1 |r|
Show InChI InChI=1S/C24H27N3O2S/c28-22(18-29-23-9-5-2-6-10-23)17-25-16-15-19-11-13-21(14-12-19)27-24(30)26-20-7-3-1-4-8-20/h1-14,22,25,28H,15-18H2,(H2,26,27,30)/t22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta2 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoassa...

Bioorg Med Chem 17: 5510-9 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.06.031
BindingDB Entry DOI: 10.7270/Q23F4QKV
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50378062
PNG
(CHEMBL1204005)
Show SMILES O[C@@H](CNCCc1ccc(cc1)N=C(NC#N)Nc1ccccc1)COc1ccccc1 |r,w:12.12|
Show InChI InChI=1S/C25H27N5O2/c26-19-28-25(29-21-7-3-1-4-8-21)30-22-13-11-20(12-14-22)15-16-27-17-23(31)18-32-24-9-5-2-6-10-24/h1-14,23,27,31H,15-18H2,(H2,28,29,30)/t23-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta2 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoassa...

Bioorg Med Chem 17: 5510-9 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.06.031
BindingDB Entry DOI: 10.7270/Q23F4QKV
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50070132
PNG
((S)-N-(4-(2-(2-hydroxy-3-(4-hydroxyphenoxy)propyla...)
Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccccc2)cc1)COc1ccc(O)cc1
Show InChI InChI=1S/C23H26N2O5S/c26-20-10-12-22(13-11-20)30-17-21(27)16-24-15-14-18-6-8-19(9-7-18)25-31(28,29)23-4-2-1-3-5-23/h1-13,21,24-27H,14-17H2/t21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta2 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoassa...

Bioorg Med Chem 17: 5510-9 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.06.031
BindingDB Entry DOI: 10.7270/Q23F4QKV
More data for this
Ligand-Target Pair
Beta-2 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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents

Similars
DrugBank
PDB
Article
PubMed
n/an/an/an/a 3n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta2 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoassa...

Bioorg Med Chem 17: 5510-9 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.06.031
BindingDB Entry DOI: 10.7270/Q23F4QKV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50378063
PNG
(CHEMBL1203988)
Show SMILES O[C@@H](CNCCc1ccc(NC(=S)NC2CCCCC2)cc1)COc1ccccc1 |r|
Show InChI InChI=1S/C24H33N3O2S/c28-22(18-29-23-9-5-2-6-10-23)17-25-16-15-19-11-13-21(14-12-19)27-24(30)26-20-7-3-1-4-8-20/h2,5-6,9-14,20,22,25,28H,1,3-4,7-8,15-18H2,(H2,26,27,30)/t22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta2 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoassa...

Bioorg Med Chem 17: 5510-9 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.06.031
BindingDB Entry DOI: 10.7270/Q23F4QKV
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50378064
PNG
(CHEMBL1204006)
Show SMILES O[C@@H](CNCCc1ccc(NC(=S)NCc2ccccc2)cc1)COc1ccccc1 |r|
Show InChI InChI=1S/C25H29N3O2S/c29-23(19-30-24-9-5-2-6-10-24)18-26-16-15-20-11-13-22(14-12-20)28-25(31)27-17-21-7-3-1-4-8-21/h1-14,23,26,29H,15-19H2,(H2,27,28,31)/t23-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta2 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoassa...

Bioorg Med Chem 17: 5510-9 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.06.031
BindingDB Entry DOI: 10.7270/Q23F4QKV
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50378065
PNG
(CHEMBL1203987)
Show SMILES O[C@@H](CNCCc1ccc(NC(=S)NCCc2ccccc2)cc1)COc1ccccc1 |r|
Show InChI InChI=1S/C26H31N3O2S/c30-24(20-31-25-9-5-2-6-10-25)19-27-17-15-22-11-13-23(14-12-22)29-26(32)28-18-16-21-7-3-1-4-8-21/h1-14,24,27,30H,15-20H2,(H2,28,29,32)/t24-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta2 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoassa...

Bioorg Med Chem 17: 5510-9 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.06.031
BindingDB Entry DOI: 10.7270/Q23F4QKV
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50295328
PNG
((S)-1-(2-Chlorophenyl)-3-(4-{2-[(2-hydroxy-3-pheno...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=S)Nc2ccccc2Cl)cc1)COc1ccccc1 |r|
Show InChI InChI=1S/C24H26ClN3O2S/c25-22-8-4-5-9-23(22)28-24(31)27-19-12-10-18(11-13-19)14-15-26-16-20(29)17-30-21-6-2-1-3-7-21/h1-13,20,26,29H,14-17H2,(H2,27,28,31)/t20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta2 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoassa...

Bioorg Med Chem 17: 5510-9 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.06.031
BindingDB Entry DOI: 10.7270/Q23F4QKV
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50295329
PNG
((S)-1-(3-Chlorophenyl)-3-(4-{2-[(2-hydroxy-3-pheno...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=S)Nc2cccc(Cl)c2)cc1)COc1ccccc1 |r|
Show InChI InChI=1S/C24H26ClN3O2S/c25-19-5-4-6-21(15-19)28-24(31)27-20-11-9-18(10-12-20)13-14-26-16-22(29)17-30-23-7-2-1-3-8-23/h1-12,15,22,26,29H,13-14,16-17H2,(H2,27,28,31)/t22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta2 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoassa...

Bioorg Med Chem 17: 5510-9 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.06.031
BindingDB Entry DOI: 10.7270/Q23F4QKV
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50295330
PNG
((S)-1-(4-Chlorophenyl)-3-(4-{2-[(2-hydroxy-3-pheno...)
Show SMILES O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(Cl)cc2)cc1)COc1ccccc1 |r|
Show InChI InChI=1S/C24H26ClN3O2S/c25-19-8-12-21(13-9-19)28-24(31)27-20-10-6-18(7-11-20)14-15-26-16-22(29)17-30-23-4-2-1-3-5-23/h1-13,22,26,29H,14-17H2,(H2,27,28,31)/t22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta2 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoassa...

Bioorg Med Chem 17: 5510-9 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.06.031
BindingDB Entry DOI: 10.7270/Q23F4QKV
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50378066
PNG
(CHEMBL1203994)
Show SMILES O[C@@H](CNCCc1ccc(NC(=S)Nc2ccccc2[N+]([O-])=O)cc1)COc1ccccc1 |r|
Show InChI InChI=1S/C24H26N4O4S/c29-20(17-32-21-6-2-1-3-7-21)16-25-15-14-18-10-12-19(13-11-18)26-24(33)27-22-8-4-5-9-23(22)28(30)31/h1-13,20,25,29H,14-17H2,(H2,26,27,33)/t20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta2 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoassa...

Bioorg Med Chem 17: 5510-9 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.06.031
BindingDB Entry DOI: 10.7270/Q23F4QKV
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50378067
PNG
(CHEMBL1203989)
Show SMILES O[C@@H](CNCCc1ccc(NC(=S)Nc2cccc(c2)[N+]([O-])=O)cc1)COc1ccccc1 |r|
Show InChI InChI=1S/C24H26N4O4S/c29-22(17-32-23-7-2-1-3-8-23)16-25-14-13-18-9-11-19(12-10-18)26-24(33)27-20-5-4-6-21(15-20)28(30)31/h1-12,15,22,25,29H,13-14,16-17H2,(H2,26,27,33)/t22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta2 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoassa...

Bioorg Med Chem 17: 5510-9 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.06.031
BindingDB Entry DOI: 10.7270/Q23F4QKV
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50378073
PNG
(CHEMBL1203990)
Show SMILES O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(cc2)[N+]([O-])=O)cc1)COc1ccccc1 |r|
Show InChI InChI=1S/C24H26N4O4S/c29-22(17-32-23-4-2-1-3-5-23)16-25-15-14-18-6-8-19(9-7-18)26-24(33)27-20-10-12-21(13-11-20)28(30)31/h1-13,22,25,29H,14-17H2,(H2,26,27,33)/t22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta2 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoassa...

Bioorg Med Chem 17: 5510-9 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.06.031
BindingDB Entry DOI: 10.7270/Q23F4QKV
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50378074
PNG
(CHEMBL1203995)
Show SMILES COc1ccccc1NC(=S)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 |r|
Show InChI InChI=1S/C25H29N3O3S/c1-30-24-10-6-5-9-23(24)28-25(32)27-20-13-11-19(12-14-20)15-16-26-17-21(29)18-31-22-7-3-2-4-8-22/h2-14,21,26,29H,15-18H2,1H3,(H2,27,28,32)/t21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta2 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoassa...

Bioorg Med Chem 17: 5510-9 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.06.031
BindingDB Entry DOI: 10.7270/Q23F4QKV
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50378075
PNG
(CHEMBL1203996)
Show SMILES COc1cccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)c1 |r|
Show InChI InChI=1S/C25H29N3O3S/c1-30-24-9-5-6-21(16-24)28-25(32)27-20-12-10-19(11-13-20)14-15-26-17-22(29)18-31-23-7-3-2-4-8-23/h2-13,16,22,26,29H,14-15,17-18H2,1H3,(H2,27,28,32)/t22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta2 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoassa...

Bioorg Med Chem 17: 5510-9 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.06.031
BindingDB Entry DOI: 10.7270/Q23F4QKV
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50378076
PNG
(CHEMBL1204007)
Show SMILES COc1ccc(NC(=S)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)cc1 |r|
Show InChI InChI=1S/C25H29N3O3S/c1-30-23-13-11-21(12-14-23)28-25(32)27-20-9-7-19(8-10-20)15-16-26-17-22(29)18-31-24-5-3-2-4-6-24/h2-14,22,26,29H,15-18H2,1H3,(H2,27,28,32)/t22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta2 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoassa...

Bioorg Med Chem 17: 5510-9 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.06.031
BindingDB Entry DOI: 10.7270/Q23F4QKV
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50378077
PNG
(CHEMBL1204001)
Show SMILES O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(F)cc2)cc1)COc1ccccc1 |r|
Show InChI InChI=1S/C24H26FN3O2S/c25-19-8-12-21(13-9-19)28-24(31)27-20-10-6-18(7-11-20)14-15-26-16-22(29)17-30-23-4-2-1-3-5-23/h1-13,22,26,29H,14-17H2,(H2,27,28,31)/t22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta2 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoassa...

Bioorg Med Chem 17: 5510-9 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.06.031
BindingDB Entry DOI: 10.7270/Q23F4QKV
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50378078
PNG
(CHEMBL1203998)
Show SMILES O[C@@H](CNCCc1ccc(NC(=S)Nc2ccc(Br)cc2)cc1)COc1ccccc1 |r|
Show InChI InChI=1S/C24H26BrN3O2S/c25-19-8-12-21(13-9-19)28-24(31)27-20-10-6-18(7-11-20)14-15-26-16-22(29)17-30-23-4-2-1-3-5-23/h1-13,22,26,29H,14-17H2,(H2,27,28,31)/t22-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Agonist activity at human cloned adrenergic beta2 receptor expressed in CHO cells assessed as [125I]cAMP accumulation after 2 days by radioimmunoassa...

Bioorg Med Chem 17: 5510-9 (2009)

Checked by Author
Article DOI: 10.1016/j.bmc.2009.06.031
BindingDB Entry DOI: 10.7270/Q23F4QKV
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 162 total )  |  Next  |  Last  >>
Jump to: