BindingDB logo
myBDB logout

PubMed code 26125514

Compile data set for download or QSAR
Found 40 hits of Enzyme Inhibition Constant Data   
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
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50108088
PNG
(CHEMBL3601305)
Show SMILES CC(C)c1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 |r|
Show InChI InChI=1S/C21H28N4O4S/c1-14(2)21-18-8-7-17(12-19(18)23-24-21)29-10-9-22-13-20(26)15-5-4-6-16(11-15)25-30(3,27)28/h4-8,11-12,14,20,22,25-26H,9-10,13H2,1-3H3,(H,23,24)/t20-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human alpha1A-adrenergic receptor expressed in HEK293 cells assessed as calcium flux by fluorescence assay

J Med Chem 58: 6048-57 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00638
BindingDB Entry DOI: 10.7270/Q2NG4SDR
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50108095
PNG
(CHEMBL3601310)
Show SMILES CS(=O)(=O)Nc1cccc(c1)[C@@H](O)CNCCOc1ccc2c(CO)n[nH]c2c1 |r|
Show InChI InChI=1S/C19H24N4O5S/c1-29(26,27)23-14-4-2-3-13(9-14)19(25)11-20-7-8-28-15-5-6-16-17(10-15)21-22-18(16)12-24/h2-6,9-10,19-20,23-25H,7-8,11-12H2,1H3,(H,21,22)/t19-/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 33n/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human alpha1A-adrenergic receptor expressed in HEK293 cells assessed as calcium flux by fluorescence assay

J Med Chem 58: 6048-57 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00638
BindingDB Entry DOI: 10.7270/Q2NG4SDR
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50029051
PNG
((-)-arterenol | (-)-noradrenaline | (-)-norepineph...)
Show SMILES NC[C@H](O)c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
DrugBank
Article
PubMed
n/an/an/an/a 9.10n/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human alpha1A-adrenergic receptor expressed in HEK293 cells assessed as calcium flux by fluorescence assay

J Med Chem 58: 6048-57 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00638
BindingDB Entry DOI: 10.7270/Q2NG4SDR
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 86n/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta3-adrenergic receptor expressed in CHO cells assessed as increase of cAMP level after 30 mins

J Med Chem 58: 6048-57 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00638
BindingDB Entry DOI: 10.7270/Q2NG4SDR
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50108092
PNG
(CHEMBL3601308)
Show SMILES CS(=O)(=O)Nc1cccc(c1)[C@@H](O)CNCCOc1ccc2c(n[nH]c2c1)C(F)(F)F |r|
Show InChI InChI=1S/C19H21F3N4O4S/c1-31(28,29)26-13-4-2-3-12(9-13)17(27)11-23-7-8-30-14-5-6-15-16(10-14)24-25-18(15)19(20,21)22/h2-6,9-10,17,23,26-27H,7-8,11H2,1H3,(H,24,25)/t17-/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 812n/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human alpha1A-adrenergic receptor expressed in HEK293 cells assessed as calcium flux by fluorescence assay

J Med Chem 58: 6048-57 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00638
BindingDB Entry DOI: 10.7270/Q2NG4SDR
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50108092
PNG
(CHEMBL3601308)
Show SMILES CS(=O)(=O)Nc1cccc(c1)[C@@H](O)CNCCOc1ccc2c(n[nH]c2c1)C(F)(F)F |r|
Show InChI InChI=1S/C19H21F3N4O4S/c1-31(28,29)26-13-4-2-3-12(9-13)17(27)11-23-7-8-30-14-5-6-15-16(10-14)24-25-18(15)19(20,21)22/h2-6,9-10,17,23,26-27H,7-8,11H2,1H3,(H,24,25)/t17-/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 64n/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta3-adrenergic receptor expressed in CHO cells assessed as increase of cAMP level after 30 mins

J Med Chem 58: 6048-57 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00638
BindingDB Entry DOI: 10.7270/Q2NG4SDR
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50108088
PNG
(CHEMBL3601305)
Show SMILES CC(C)c1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 |r|
Show InChI InChI=1S/C21H28N4O4S/c1-14(2)21-18-8-7-17(12-19(18)23-24-21)29-10-9-22-13-20(26)15-5-4-6-16(11-15)25-30(3,27)28/h4-8,11-12,14,20,22,25-26H,9-10,13H2,1-3H3,(H,23,24)/t20-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

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



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human beta2-adrenergic receptor expressed in CHO cells assessed as increase of cAMP level after 30 mins

J Med Chem 58: 6048-57 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00638
BindingDB Entry DOI: 10.7270/Q2NG4SDR
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50108093
PNG
(CHEMBL3601309)
Show SMILES CS(=O)(=O)Nc1cccc(c1)[C@@H](O)CNCCOc1ccc2c(n[nH]c2c1)-c1ccccc1 |r|
Show InChI InChI=1S/C24H26N4O4S/c1-33(30,31)28-19-9-5-8-18(14-19)23(29)16-25-12-13-32-20-10-11-21-22(15-20)26-27-24(21)17-6-3-2-4-7-17/h2-11,14-15,23,25,28-29H,12-13,16H2,1H3,(H,26,27)/t23-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human alpha1A-adrenergic receptor expressed in HEK293 cells assessed as calcium flux by fluorescence assay

J Med Chem 58: 6048-57 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00638
BindingDB Entry DOI: 10.7270/Q2NG4SDR
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50108094
PNG
(CHEMBL3601200)
Show SMILES Cc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 |r|
Show InChI InChI=1S/C19H24N4O4S/c1-13-17-7-6-16(11-18(17)22-21-13)27-9-8-20-12-19(24)14-4-3-5-15(10-14)23-28(2,25)26/h3-7,10-11,19-20,23-24H,8-9,12H2,1-2H3,(H,21,22)/t19-/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 21n/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta3-adrenergic receptor expressed in CHO cells assessed as increase of cAMP level after 30 mins

J Med Chem 58: 6048-57 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00638
BindingDB Entry DOI: 10.7270/Q2NG4SDR
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50108099
PNG
(CHEMBL3601204)
Show SMILES CCc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 |r|
Show InChI InChI=1S/C20H26N4O4S/c1-3-18-17-8-7-16(12-19(17)23-22-18)28-10-9-21-13-20(25)14-5-4-6-15(11-14)24-29(2,26)27/h4-8,11-12,20-21,24-25H,3,9-10,13H2,1-2H3,(H,22,23)/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 14n/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta3-adrenergic receptor expressed in CHO cells assessed as increase of cAMP level after 30 mins

J Med Chem 58: 6048-57 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00638
BindingDB Entry DOI: 10.7270/Q2NG4SDR
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50108094
PNG
(CHEMBL3601200)
Show SMILES Cc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 |r|
Show InChI InChI=1S/C19H24N4O4S/c1-13-17-7-6-16(11-18(17)22-21-13)27-9-8-20-12-19(24)14-4-3-5-15(10-14)23-28(2,25)26/h3-7,10-11,19-20,23-24H,8-9,12H2,1-2H3,(H,21,22)/t19-/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>1.00E+4n/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human beta1-adrenergic receptor expressed in CHO cells assessed as increase of cAMP level after 30 mins

J Med Chem 58: 6048-57 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00638
BindingDB Entry DOI: 10.7270/Q2NG4SDR
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50108099
PNG
(CHEMBL3601204)
Show SMILES CCc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 |r|
Show InChI InChI=1S/C20H26N4O4S/c1-3-18-17-8-7-16(12-19(17)23-22-18)28-10-9-21-13-20(25)14-5-4-6-15(11-14)24-29(2,26)27/h4-8,11-12,20-21,24-25H,3,9-10,13H2,1-2H3,(H,22,23)/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>1.00E+4n/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human beta1-adrenergic receptor expressed in CHO cells assessed as increase of cAMP level after 30 mins

J Med Chem 58: 6048-57 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00638
BindingDB Entry DOI: 10.7270/Q2NG4SDR
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50108094
PNG
(CHEMBL3601200)
Show SMILES Cc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 |r|
Show InChI InChI=1S/C19H24N4O4S/c1-13-17-7-6-16(11-18(17)22-21-13)27-9-8-20-12-19(24)14-4-3-5-15(10-14)23-28(2,25)26/h3-7,10-11,19-20,23-24H,8-9,12H2,1-2H3,(H,21,22)/t19-/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 219n/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human alpha1A-adrenergic receptor expressed in HEK293 cells assessed as calcium flux by fluorescence assay

J Med Chem 58: 6048-57 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00638
BindingDB Entry DOI: 10.7270/Q2NG4SDR
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50108099
PNG
(CHEMBL3601204)
Show SMILES CCc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 |r|
Show InChI InChI=1S/C20H26N4O4S/c1-3-18-17-8-7-16(12-19(17)23-22-18)28-10-9-21-13-20(25)14-5-4-6-15(11-14)24-29(2,26)27/h4-8,11-12,20-21,24-25H,3,9-10,13H2,1-2H3,(H,22,23)/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 857n/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human alpha1A-adrenergic receptor expressed in HEK293 cells assessed as calcium flux by fluorescence assay

J Med Chem 58: 6048-57 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00638
BindingDB Entry DOI: 10.7270/Q2NG4SDR
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50108089
PNG
(CHEMBL3601306)
Show SMILES CC(C)(C)c1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 |r|
Show InChI InChI=1S/C22H30N4O4S/c1-22(2,3)21-18-9-8-17(13-19(18)24-25-21)30-11-10-23-14-20(27)15-6-5-7-16(12-15)26-31(4,28)29/h5-9,12-13,20,23,26-27H,10-11,14H2,1-4H3,(H,24,25)/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>1.00E+4n/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human alpha1A-adrenergic receptor expressed in HEK293 cells assessed as calcium flux by fluorescence assay

J Med Chem 58: 6048-57 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00638
BindingDB Entry DOI: 10.7270/Q2NG4SDR
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50108097
PNG
(CHEMBL3601202)
Show SMILES CCOc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 |r|
Show InChI InChI=1S/C20H26N4O5S/c1-3-28-20-17-8-7-16(12-18(17)22-23-20)29-10-9-21-13-19(25)14-5-4-6-15(11-14)24-30(2,26)27/h4-8,11-12,19,21,24-25H,3,9-10,13H2,1-2H3,(H,22,23)/t19-/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 71n/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta3-adrenergic receptor expressed in CHO cells assessed as increase of cAMP level after 30 mins

J Med Chem 58: 6048-57 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00638
BindingDB Entry DOI: 10.7270/Q2NG4SDR
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50108089
PNG
(CHEMBL3601306)
Show SMILES CC(C)(C)c1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 |r|
Show InChI InChI=1S/C22H30N4O4S/c1-22(2,3)21-18-9-8-17(13-19(18)24-25-21)30-11-10-23-14-20(27)15-6-5-7-16(12-15)26-31(4,28)29/h5-9,12-13,20,23,26-27H,10-11,14H2,1-4H3,(H,24,25)/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 338n/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta3-adrenergic receptor expressed in CHO cells assessed as increase of cAMP level after 30 mins

J Med Chem 58: 6048-57 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00638
BindingDB Entry DOI: 10.7270/Q2NG4SDR
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50108091
PNG
(CHEMBL3601307)
Show SMILES CS(=O)(=O)Nc1cccc(c1)[C@@H](O)CNCCOc1ccc2c(n[nH]c2c1)C1CCC1 |r|
Show InChI InChI=1S/C22H28N4O4S/c1-31(28,29)26-17-7-3-6-16(12-17)21(27)14-23-10-11-30-18-8-9-19-20(13-18)24-25-22(19)15-4-2-5-15/h3,6-9,12-13,15,21,23,26-27H,2,4-5,10-11,14H2,1H3,(H,24,25)/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 66n/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta3-adrenergic receptor expressed in CHO cells assessed as increase of cAMP level after 30 mins

J Med Chem 58: 6048-57 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00638
BindingDB Entry DOI: 10.7270/Q2NG4SDR
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50108095
PNG
(CHEMBL3601310)
Show SMILES CS(=O)(=O)Nc1cccc(c1)[C@@H](O)CNCCOc1ccc2c(CO)n[nH]c2c1 |r|
Show InChI InChI=1S/C19H24N4O5S/c1-29(26,27)23-14-4-2-3-13(9-14)19(25)11-20-7-8-28-15-5-6-16-17(10-15)21-22-18(16)12-24/h2-6,9-10,19-20,23-25H,7-8,11-12H2,1H3,(H,21,22)/t19-/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 111n/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta3-adrenergic receptor expressed in CHO cells assessed as increase of cAMP level after 30 mins

J Med Chem 58: 6048-57 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00638
BindingDB Entry DOI: 10.7270/Q2NG4SDR
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))		BDBM50108094
PNG
(CHEMBL3601200)
Show SMILES Cc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 |r|
Show InChI InChI=1S/C19H24N4O4S/c1-13-17-7-6-16(11-18(17)22-21-13)27-9-8-20-12-19(24)14-4-3-5-15(10-14)23-28(2,25)26/h3-7,10-11,19-20,23-24H,8-9,12H2,1-2H3,(H,21,22)/t19-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human alpha1D-adrenergic receptor

J Med Chem 58: 6048-57 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00638
BindingDB Entry DOI: 10.7270/Q2NG4SDR
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))		BDBM50108094
PNG
(CHEMBL3601200)
Show SMILES Cc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 |r|
Show InChI InChI=1S/C19H24N4O4S/c1-13-17-7-6-16(11-18(17)22-21-13)27-9-8-20-12-19(24)14-4-3-5-15(10-14)23-28(2,25)26/h3-7,10-11,19-20,23-24H,8-9,12H2,1-2H3,(H,21,22)/t19-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human alpha2A-adrenergic receptor

J Med Chem 58: 6048-57 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00638
BindingDB Entry DOI: 10.7270/Q2NG4SDR
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))		BDBM50108094
PNG
(CHEMBL3601200)
Show SMILES Cc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 |r|
Show InChI InChI=1S/C19H24N4O4S/c1-13-17-7-6-16(11-18(17)22-21-13)27-9-8-20-12-19(24)14-4-3-5-15(10-14)23-28(2,25)26/h3-7,10-11,19-20,23-24H,8-9,12H2,1-2H3,(H,21,22)/t19-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human alpha2B-adrenergic receptor

J Med Chem 58: 6048-57 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00638
BindingDB Entry DOI: 10.7270/Q2NG4SDR
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50108088
PNG
(CHEMBL3601305)
Show SMILES CC(C)c1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 |r|
Show InChI InChI=1S/C21H28N4O4S/c1-14(2)21-18-8-7-17(12-19(18)23-24-21)29-10-9-22-13-20(26)15-5-4-6-16(11-15)25-30(3,27)28/h4-8,11-12,14,20,22,25-26H,9-10,13H2,1-3H3,(H,23,24)/t20-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/an/an/a 13n/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta3-adrenergic receptor expressed in CHO cells assessed as increase of cAMP level after 30 mins

J Med Chem 58: 6048-57 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00638
BindingDB Entry DOI: 10.7270/Q2NG4SDR
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50108099
PNG
(CHEMBL3601204)
Show SMILES CCc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 |r|
Show InChI InChI=1S/C20H26N4O4S/c1-3-18-17-8-7-16(12-19(17)23-22-18)28-10-9-21-13-20(25)14-5-4-6-15(11-14)24-29(2,26)27/h4-8,11-12,20-21,24-25H,3,9-10,13H2,1-2H3,(H,22,23)/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+4n/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human beta2-adrenergic receptor expressed in CHO cells assessed as increase of cAMP level after 30 mins

J Med Chem 58: 6048-57 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00638
BindingDB Entry DOI: 10.7270/Q2NG4SDR
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50108097
PNG
(CHEMBL3601202)
Show SMILES CCOc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 |r|
Show InChI InChI=1S/C20H26N4O5S/c1-3-28-20-17-8-7-16(12-18(17)22-23-20)29-10-9-21-13-19(25)14-5-4-6-15(11-14)24-30(2,26)27/h4-8,11-12,19,21,24-25H,3,9-10,13H2,1-2H3,(H,22,23)/t19-/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 277n/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human alpha1A-adrenergic receptor expressed in HEK293 cells assessed as calcium flux by fluorescence assay

J Med Chem 58: 6048-57 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00638
BindingDB Entry DOI: 10.7270/Q2NG4SDR
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50108098
PNG
(CHEMBL3601203)
Show SMILES CS(=O)(=O)Nc1cccc(c1)[C@@H](O)CNCCOc1ccc2c(Cl)n[nH]c2c1 |r|
Show InChI InChI=1S/C18H21ClN4O4S/c1-28(25,26)23-13-4-2-3-12(9-13)17(24)11-20-7-8-27-14-5-6-15-16(10-14)21-22-18(15)19/h2-6,9-10,17,20,23-24H,7-8,11H2,1H3,(H,21,22)/t17-/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 61n/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human alpha1A-adrenergic receptor expressed in HEK293 cells assessed as calcium flux by fluorescence assay

J Med Chem 58: 6048-57 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00638
BindingDB Entry DOI: 10.7270/Q2NG4SDR
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50108091
PNG
(CHEMBL3601307)
Show SMILES CS(=O)(=O)Nc1cccc(c1)[C@@H](O)CNCCOc1ccc2c(n[nH]c2c1)C1CCC1 |r|
Show InChI InChI=1S/C22H28N4O4S/c1-31(28,29)26-17-7-3-6-16(12-17)21(27)14-23-10-11-30-18-8-9-19-20(13-18)24-25-22(19)15-4-2-5-15/h3,6-9,12-13,15,21,23,26-27H,2,4-5,10-11,14H2,1H3,(H,24,25)/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>1.00E+4n/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human alpha1A-adrenergic receptor expressed in HEK293 cells assessed as calcium flux by fluorescence assay

J Med Chem 58: 6048-57 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00638
BindingDB Entry DOI: 10.7270/Q2NG4SDR
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))		BDBM50108094
PNG
(CHEMBL3601200)
Show SMILES Cc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 |r|
Show InChI InChI=1S/C19H24N4O4S/c1-13-17-7-6-16(11-18(17)22-21-13)27-9-8-20-12-19(24)14-4-3-5-15(10-14)23-28(2,25)26/h3-7,10-11,19-20,23-24H,8-9,12H2,1-2H3,(H,21,22)/t19-/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human alpha1B-adrenergic receptor

J Med Chem 58: 6048-57 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00638
BindingDB Entry DOI: 10.7270/Q2NG4SDR
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))		BDBM50108094
PNG
(CHEMBL3601200)
Show SMILES Cc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 |r|
Show InChI InChI=1S/C19H24N4O4S/c1-13-17-7-6-16(11-18(17)22-21-13)27-9-8-20-12-19(24)14-4-3-5-15(10-14)23-28(2,25)26/h3-7,10-11,19-20,23-24H,8-9,12H2,1-2H3,(H,21,22)/t19-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human alpha2C-adrenergic receptor

J Med Chem 58: 6048-57 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00638
BindingDB Entry DOI: 10.7270/Q2NG4SDR
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50108093
PNG
(CHEMBL3601309)
Show SMILES CS(=O)(=O)Nc1cccc(c1)[C@@H](O)CNCCOc1ccc2c(n[nH]c2c1)-c1ccccc1 |r|
Show InChI InChI=1S/C24H26N4O4S/c1-33(30,31)28-19-9-5-8-18(14-19)23(29)16-25-12-13-32-20-10-11-21-22(15-20)26-27-24(21)17-6-3-2-4-7-17/h2-11,14-15,23,25,28-29H,12-13,16H2,1H3,(H,26,27)/t23-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta3-adrenergic receptor expressed in CHO cells assessed as increase of cAMP level after 30 mins

J Med Chem 58: 6048-57 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00638
BindingDB Entry DOI: 10.7270/Q2NG4SDR
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50108088
PNG
(CHEMBL3601305)
Show SMILES CC(C)c1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 |r|
Show InChI InChI=1S/C21H28N4O4S/c1-14(2)21-18-8-7-17(12-19(18)23-24-21)29-10-9-22-13-20(26)15-5-4-6-16(11-15)25-30(3,27)28/h4-8,11-12,14,20,22,25-26H,9-10,13H2,1-3H3,(H,23,24)/t20-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human beta1-adrenergic receptor expressed in CHO cells assessed as increase of cAMP level after 30 mins

J Med Chem 58: 6048-57 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00638
BindingDB Entry DOI: 10.7270/Q2NG4SDR
More data for this
Ligand-Target Pair
Beta-1 adrenergic receptor


(Homo sapiens (Human))		BDBM50108090
PNG
(CHEMBL3600395)
Show SMILES CS(=O)(=O)Nc1cccc(c1)[C@@H](O)CNCCOc1ccc2c(n[nH]c2c1)C1CC1 |r|
Show InChI InChI=1S/C21H26N4O4S/c1-30(27,28)25-16-4-2-3-15(11-16)20(26)13-22-9-10-29-17-7-8-18-19(12-17)23-24-21(18)14-5-6-14/h2-4,7-8,11-12,14,20,22,25-26H,5-6,9-10,13H2,1H3,(H,23,24)/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>1.00E+4n/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human beta1-adrenergic receptor expressed in CHO cells assessed as increase of cAMP level after 30 mins

J Med Chem 58: 6048-57 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00638
BindingDB Entry DOI: 10.7270/Q2NG4SDR
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Rattus norvegicus)		BDBM50108088
PNG
(CHEMBL3601305)
Show SMILES CC(C)c1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 |r|
Show InChI InChI=1S/C21H28N4O4S/c1-14(2)21-18-8-7-17(12-19(18)23-24-21)29-10-9-22-13-20(26)15-5-4-6-16(11-15)25-30(3,27)28/h4-8,11-12,14,20,22,25-26H,9-10,13H2,1-3H3,(H,23,24)/t20-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/an/an/a 535n/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at rat beta3-adrenergic receptor

J Med Chem 58: 6048-57 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00638
BindingDB Entry DOI: 10.7270/Q2NG4SDR
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50108096
PNG
(CHEMBL3601201)
Show SMILES COc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 |r|
Show InChI InChI=1S/C19H24N4O5S/c1-27-19-16-7-6-15(11-17(16)21-22-19)28-9-8-20-12-18(24)13-4-3-5-14(10-13)23-29(2,25)26/h3-7,10-11,18,20,23-24H,8-9,12H2,1-2H3,(H,21,22)/t18-/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 40n/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta3-adrenergic receptor expressed in CHO cells assessed as increase of cAMP level after 30 mins

J Med Chem 58: 6048-57 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00638
BindingDB Entry DOI: 10.7270/Q2NG4SDR
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50108098
PNG
(CHEMBL3601203)
Show SMILES CS(=O)(=O)Nc1cccc(c1)[C@@H](O)CNCCOc1ccc2c(Cl)n[nH]c2c1 |r|
Show InChI InChI=1S/C18H21ClN4O4S/c1-28(25,26)23-13-4-2-3-12(9-13)17(24)11-20-7-8-27-14-5-6-15-16(10-14)21-22-18(15)19/h2-6,9-10,17,20,23-24H,7-8,11H2,1H3,(H,21,22)/t17-/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 43n/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta3-adrenergic receptor expressed in CHO cells assessed as increase of cAMP level after 30 mins

J Med Chem 58: 6048-57 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00638
BindingDB Entry DOI: 10.7270/Q2NG4SDR
More data for this
Ligand-Target Pair
Beta-3 adrenergic receptor


(Homo sapiens (Human))		BDBM50108090
PNG
(CHEMBL3600395)
Show SMILES CS(=O)(=O)Nc1cccc(c1)[C@@H](O)CNCCOc1ccc2c(n[nH]c2c1)C1CC1 |r|
Show InChI InChI=1S/C21H26N4O4S/c1-30(27,28)25-16-4-2-3-15(11-16)20(26)13-22-9-10-29-17-7-8-18-19(12-17)23-24-21(18)14-5-6-14/h2-4,7-8,11-12,14,20,22,25-26H,5-6,9-10,13H2,1H3,(H,23,24)/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 17n/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant beta3-adrenergic receptor expressed in CHO cells assessed as increase of cAMP level after 30 mins

J Med Chem 58: 6048-57 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00638
BindingDB Entry DOI: 10.7270/Q2NG4SDR
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50108094
PNG
(CHEMBL3601200)
Show SMILES Cc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 |r|
Show InChI InChI=1S/C19H24N4O4S/c1-13-17-7-6-16(11-18(17)22-21-13)27-9-8-20-12-19(24)14-4-3-5-15(10-14)23-28(2,25)26/h3-7,10-11,19-20,23-24H,8-9,12H2,1-2H3,(H,21,22)/t19-/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+4n/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human beta2-adrenergic receptor expressed in CHO cells assessed as increase of cAMP level after 30 mins

J Med Chem 58: 6048-57 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00638
BindingDB Entry DOI: 10.7270/Q2NG4SDR
More data for this
Ligand-Target Pair
Beta-2 adrenergic receptor


(Homo sapiens (Human))		BDBM50108090
PNG
(CHEMBL3600395)
Show SMILES CS(=O)(=O)Nc1cccc(c1)[C@@H](O)CNCCOc1ccc2c(n[nH]c2c1)C1CC1 |r|
Show InChI InChI=1S/C21H26N4O4S/c1-30(27,28)25-16-4-2-3-15(11-16)20(26)13-22-9-10-29-17-7-8-18-19(12-17)23-24-21(18)14-5-6-14/h2-4,7-8,11-12,14,20,22,25-26H,5-6,9-10,13H2,1H3,(H,23,24)/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+4n/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human beta2-adrenergic receptor expressed in CHO cells assessed as increase of cAMP level after 30 mins

J Med Chem 58: 6048-57 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00638
BindingDB Entry DOI: 10.7270/Q2NG4SDR
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50108096
PNG
(CHEMBL3601201)
Show SMILES COc1n[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12 |r|
Show InChI InChI=1S/C19H24N4O5S/c1-27-19-16-7-6-15(11-17(16)21-22-19)28-9-8-20-12-18(24)13-4-3-5-14(10-13)23-29(2,25)26/h3-7,10-11,18,20,23-24H,8-9,12H2,1-2H3,(H,21,22)/t18-/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 252n/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human alpha1A-adrenergic receptor expressed in HEK293 cells assessed as calcium flux by fluorescence assay

J Med Chem 58: 6048-57 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00638
BindingDB Entry DOI: 10.7270/Q2NG4SDR
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50108090
PNG
(CHEMBL3600395)
Show SMILES CS(=O)(=O)Nc1cccc(c1)[C@@H](O)CNCCOc1ccc2c(n[nH]c2c1)C1CC1 |r|
Show InChI InChI=1S/C21H26N4O4S/c1-30(27,28)25-16-4-2-3-15(11-16)20(26)13-22-9-10-29-17-7-8-18-19(12-17)23-24-21(18)14-5-6-14/h2-4,7-8,11-12,14,20,22,25-26H,5-6,9-10,13H2,1H3,(H,23,24)/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 1.55E+3n/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Agonist activity at human alpha1A-adrenergic receptor expressed in HEK293 cells assessed as calcium flux by fluorescence assay

J Med Chem 58: 6048-57 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00638
BindingDB Entry DOI: 10.7270/Q2NG4SDR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%