Found 48 hits Enz. Inhib. hit(s) with all data for entry = 50041951 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM25771
(1-hydroxy-2-naphthoic acid;4-[1-hydroxy-2-[6-(4-ph...)Show InChI InChI=1S/C25H37NO4/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 0.251 | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at human beta2 receptor expressed in CHO cells assessed as cAMP accumulation |
Bioorg Med Chem 19: 6026-32 (2011)
Article DOI: 10.1016/j.bmc.2011.08.043
BindingDB Entry DOI: 10.7270/Q2DB833D |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM50151720
(ARFORMOTEROL TARTRATE | CHEMBL1363 | CHEMBL605993 ...)Show SMILES COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 |r| Show InChI InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)/t13-,19+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 25 | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at human beta3 receptor expressed in CHO cells assessed as cAMP accumulation |
Bioorg Med Chem 19: 6026-32 (2011)
Article DOI: 10.1016/j.bmc.2011.08.043
BindingDB Entry DOI: 10.7270/Q2DB833D |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50419313
(CHEMBL1835855)Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1cccc(NC(=O)NC2CCCCC2)c1 |r| Show InChI InChI=1S/C32H49N3O5/c36-24-27-22-26(16-17-30(27)37)31(38)23-33-18-7-1-2-8-19-40-20-9-6-11-25-12-10-15-29(21-25)35-32(39)34-28-13-4-3-5-14-28/h10,12,15-17,21-22,28,31,33,36-38H,1-9,11,13-14,18-20,23-24H2,(H2,34,35,39)/t31-/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/a | n/a | n/a | n/a | 1 | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at human beta2 receptor expressed in CHO cells assessed as cAMP accumulation |
Bioorg Med Chem 19: 6026-32 (2011)
Article DOI: 10.1016/j.bmc.2011.08.043
BindingDB Entry DOI: 10.7270/Q2DB833D |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50419309
(CHEMBL1835853)Show SMILES NC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r| Show InChI InChI=1S/C26H39N3O5/c27-26(33)29-23-10-7-9-20(16-23)8-3-6-15-34-14-5-2-1-4-13-28-18-25(32)21-11-12-24(31)22(17-21)19-30/h7,9-12,16-17,25,28,30-32H,1-6,8,13-15,18-19H2,(H3,27,29,33)/t25-/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/a | n/a | n/a | n/a | 0.794 | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at human beta2 receptor expressed in CHO cells assessed as cAMP accumulation |
Bioorg Med Chem 19: 6026-32 (2011)
Article DOI: 10.1016/j.bmc.2011.08.043
BindingDB Entry DOI: 10.7270/Q2DB833D |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50419319
(CHEMBL1835861)Show SMILES NC(=O)Nc1cc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc(c1)C(F)(F)F |r| Show InChI InChI=1S/C27H38F3N3O5/c28-27(29,30)22-13-19(14-23(16-22)33-26(31)37)7-3-6-12-38-11-5-2-1-4-10-32-17-25(36)20-8-9-24(35)21(15-20)18-34/h8-9,13-16,25,32,34-36H,1-7,10-12,17-18H2,(H3,31,33,37)/t25-/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/a | n/a | n/a | n/a | 1 | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at human beta2 receptor expressed in CHO cells assessed as cAMP accumulation |
Bioorg Med Chem 19: 6026-32 (2011)
Article DOI: 10.1016/j.bmc.2011.08.043
BindingDB Entry DOI: 10.7270/Q2DB833D |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50419312
(CHEMBL1835862)Show SMILES Cc1cc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc(NC(N)=O)c1 |r| Show InChI InChI=1S/C27H41N3O5/c1-20-14-21(16-24(15-20)30-27(28)34)8-4-7-13-35-12-6-3-2-5-11-29-18-26(33)22-9-10-25(32)23(17-22)19-31/h9-10,14-17,26,29,31-33H,2-8,11-13,18-19H2,1H3,(H3,28,30,34)/t26-/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/a | n/a | n/a | n/a | 0.158 | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at human beta2 receptor expressed in CHO cells assessed as cAMP accumulation |
Bioorg Med Chem 19: 6026-32 (2011)
Article DOI: 10.1016/j.bmc.2011.08.043
BindingDB Entry DOI: 10.7270/Q2DB833D |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM25392
(4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...)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/a | n/a | n/a | n/a | 40 | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at human beta2 receptor expressed in CHO cells assessed as cAMP accumulation |
Bioorg Med Chem 19: 6026-32 (2011)
Article DOI: 10.1016/j.bmc.2011.08.043
BindingDB Entry DOI: 10.7270/Q2DB833D |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50416060
(4-(2-((6-((2-(((2,6-dichlorophenyl)methyl)oxy)ethy...)Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCOCc1c(Cl)cccc1Cl |r| Show InChI InChI=1S/C24H33Cl2NO5/c25-21-6-5-7-22(26)20(21)17-32-13-12-31-11-4-2-1-3-10-27-15-24(30)18-8-9-23(29)19(14-18)16-28/h5-9,14,24,27-30H,1-4,10-13,15-17H2/t24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.398 | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at human beta2 receptor expressed in CHO cells assessed as cAMP accumulation |
Bioorg Med Chem 19: 6026-32 (2011)
Article DOI: 10.1016/j.bmc.2011.08.043
BindingDB Entry DOI: 10.7270/Q2DB833D |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50419311
(CHEMBL1835860)Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1cccc(NC(=O)NCC(=O)NC2CCCC2)c1 |r| Show InChI InChI=1S/C33H50N4O6/c38-24-27-21-26(15-16-30(27)39)31(40)22-34-17-6-1-2-7-18-43-19-8-5-10-25-11-9-14-29(20-25)37-33(42)35-23-32(41)36-28-12-3-4-13-28/h9,11,14-16,20-21,28,31,34,38-40H,1-8,10,12-13,17-19,22-24H2,(H,36,41)(H2,35,37,42)/t31-/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/a | n/a | n/a | n/a | 0.316 | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at human beta2 receptor expressed in CHO cells assessed as cAMP accumulation |
Bioorg Med Chem 19: 6026-32 (2011)
Article DOI: 10.1016/j.bmc.2011.08.043
BindingDB Entry DOI: 10.7270/Q2DB833D |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50419315
(CHEMBL1835858)Show SMILES CCNC(=O)NCc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r| Show InChI InChI=1S/C29H45N3O5/c1-2-31-29(36)32-20-24-12-9-11-23(18-24)10-5-8-17-37-16-7-4-3-6-15-30-21-28(35)25-13-14-27(34)26(19-25)22-33/h9,11-14,18-19,28,30,33-35H,2-8,10,15-17,20-22H2,1H3,(H2,31,32,36)/t28-/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/a | n/a | n/a | n/a | 0.631 | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at human beta2 receptor expressed in CHO cells assessed as cAMP accumulation |
Bioorg Med Chem 19: 6026-32 (2011)
Article DOI: 10.1016/j.bmc.2011.08.043
BindingDB Entry DOI: 10.7270/Q2DB833D |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50419310
(CHEMBL1835859)Show SMILES NC(=O)CNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r| Show InChI InChI=1S/C28H42N4O6/c29-27(36)19-31-28(37)32-24-10-7-9-21(16-24)8-3-6-15-38-14-5-2-1-4-13-30-18-26(35)22-11-12-25(34)23(17-22)20-33/h7,9-12,16-17,26,30,33-35H,1-6,8,13-15,18-20H2,(H2,29,36)(H2,31,32,37)/t26-/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/a | n/a | n/a | n/a | 0.251 | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at human beta2 receptor expressed in CHO cells assessed as cAMP accumulation |
Bioorg Med Chem 19: 6026-32 (2011)
Article DOI: 10.1016/j.bmc.2011.08.043
BindingDB Entry DOI: 10.7270/Q2DB833D |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50419316
(CHEMBL1835856)Show SMILES CCNC(=O)Nc1ccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1 |r| Show InChI InChI=1S/C28H43N3O5/c1-2-30-28(35)31-25-13-10-22(11-14-25)9-5-8-18-36-17-7-4-3-6-16-29-20-27(34)23-12-15-26(33)24(19-23)21-32/h10-15,19,27,29,32-34H,2-9,16-18,20-21H2,1H3,(H2,30,31,35)/t27-/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/a | n/a | n/a | n/a | 0.501 | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at human beta2 receptor expressed in CHO cells assessed as cAMP accumulation |
Bioorg Med Chem 19: 6026-32 (2011)
Article DOI: 10.1016/j.bmc.2011.08.043
BindingDB Entry DOI: 10.7270/Q2DB833D |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50419314
(CHEMBL1835857)Show SMILES NC(=O)NCc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r| Show InChI InChI=1S/C27H41N3O5/c28-27(34)30-18-22-10-7-9-21(16-22)8-3-6-15-35-14-5-2-1-4-13-29-19-26(33)23-11-12-25(32)24(17-23)20-31/h7,9-12,16-17,26,29,31-33H,1-6,8,13-15,18-20H2,(H3,28,30,34)/t26-/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/a | n/a | n/a | n/a | 0.501 | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at human beta2 receptor expressed in CHO cells assessed as cAMP accumulation |
Bioorg Med Chem 19: 6026-32 (2011)
Article DOI: 10.1016/j.bmc.2011.08.043
BindingDB Entry DOI: 10.7270/Q2DB833D |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50151720
(ARFORMOTEROL TARTRATE | CHEMBL1363 | CHEMBL605993 ...)Show SMILES COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 |r| Show InChI InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)/t13-,19+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 0.501 | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at human beta2 receptor expressed in CHO cells assessed as cAMP accumulation |
Bioorg Med Chem 19: 6026-32 (2011)
Article DOI: 10.1016/j.bmc.2011.08.043
BindingDB Entry DOI: 10.7270/Q2DB833D |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50419316
(CHEMBL1835856)Show SMILES CCNC(=O)Nc1ccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1 |r| Show InChI InChI=1S/C28H43N3O5/c1-2-30-28(35)31-25-13-10-22(11-14-25)9-5-8-18-36-17-7-4-3-6-16-29-20-27(34)23-12-15-26(33)24(19-23)21-32/h10-15,19,27,29,32-34H,2-9,16-18,20-21H2,1H3,(H2,30,31,35)/t27-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 32 | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at human beta1 receptor expressed in CHO cells assessed as cAMP accumulation |
Bioorg Med Chem 19: 6026-32 (2011)
Article DOI: 10.1016/j.bmc.2011.08.043
BindingDB Entry DOI: 10.7270/Q2DB833D |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50419315
(CHEMBL1835858)Show SMILES CCNC(=O)NCc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r| Show InChI InChI=1S/C29H45N3O5/c1-2-31-29(36)32-20-24-12-9-11-23(18-24)10-5-8-17-37-16-7-4-3-6-15-30-21-28(35)25-13-14-27(34)26(19-25)22-33/h9,11-14,18-19,28,30,33-35H,2-8,10,15-17,20-22H2,1H3,(H2,31,32,36)/t28-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 32 | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at human beta1 receptor expressed in CHO cells assessed as cAMP accumulation |
Bioorg Med Chem 19: 6026-32 (2011)
Article DOI: 10.1016/j.bmc.2011.08.043
BindingDB Entry DOI: 10.7270/Q2DB833D |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50419310
(CHEMBL1835859)Show SMILES NC(=O)CNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r| Show InChI InChI=1S/C28H42N4O6/c29-27(36)19-31-28(37)32-24-10-7-9-21(16-24)8-3-6-15-38-14-5-2-1-4-13-30-18-26(35)22-11-12-25(34)23(17-22)20-33/h7,9-12,16-17,26,30,33-35H,1-6,8,13-15,18-20H2,(H2,29,36)(H2,31,32,37)/t26-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 32 | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at human beta1 receptor expressed in CHO cells assessed as cAMP accumulation |
Bioorg Med Chem 19: 6026-32 (2011)
Article DOI: 10.1016/j.bmc.2011.08.043
BindingDB Entry DOI: 10.7270/Q2DB833D |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50419319
(CHEMBL1835861)Show SMILES NC(=O)Nc1cc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc(c1)C(F)(F)F |r| Show InChI InChI=1S/C27H38F3N3O5/c28-27(29,30)22-13-19(14-23(16-22)33-26(31)37)7-3-6-12-38-11-5-2-1-4-10-32-17-25(36)20-8-9-24(35)21(15-20)18-34/h8-9,13-16,25,32,34-36H,1-7,10-12,17-18H2,(H3,31,33,37)/t25-/m0/s1 | PDB
Reactome pathway
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| n/a | n/a | n/a | n/a | 50 | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at human beta1 receptor expressed in CHO cells assessed as cAMP accumulation |
Bioorg Med Chem 19: 6026-32 (2011)
Article DOI: 10.1016/j.bmc.2011.08.043
BindingDB Entry DOI: 10.7270/Q2DB833D |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50419312
(CHEMBL1835862)Show SMILES Cc1cc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc(NC(N)=O)c1 |r| Show InChI InChI=1S/C27H41N3O5/c1-20-14-21(16-24(15-20)30-27(28)34)8-4-7-13-35-12-6-3-2-5-11-29-18-26(33)22-9-10-25(32)23(17-22)19-31/h9-10,14-17,26,29,31-33H,2-8,11-13,18-19H2,1H3,(H3,28,30,34)/t26-/m0/s1 | PDB
Reactome pathway
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PC sid
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| n/a | n/a | n/a | n/a | 40 | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at human beta1 receptor expressed in CHO cells assessed as cAMP accumulation |
Bioorg Med Chem 19: 6026-32 (2011)
Article DOI: 10.1016/j.bmc.2011.08.043
BindingDB Entry DOI: 10.7270/Q2DB833D |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50416060
(4-(2-((6-((2-(((2,6-dichlorophenyl)methyl)oxy)ethy...)Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCOCc1c(Cl)cccc1Cl |r| Show InChI InChI=1S/C24H33Cl2NO5/c25-21-6-5-7-22(26)20(21)17-32-13-12-31-11-4-2-1-3-10-27-15-24(30)18-8-9-23(29)19(14-18)16-28/h5-9,14,24,27-30H,1-4,10-13,15-17H2/t24-/m0/s1 | PDB
Reactome pathway
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PubMed
| n/a | n/a | n/a | n/a | 398 | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at human beta1 receptor expressed in CHO cells assessed as cAMP accumulation |
Bioorg Med Chem 19: 6026-32 (2011)
Article DOI: 10.1016/j.bmc.2011.08.043
BindingDB Entry DOI: 10.7270/Q2DB833D |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50419314
(CHEMBL1835857)Show SMILES NC(=O)NCc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r| Show InChI InChI=1S/C27H41N3O5/c28-27(34)30-18-22-10-7-9-21(16-22)8-3-6-15-35-14-5-2-1-4-13-29-19-26(33)23-11-12-25(32)24(17-23)20-31/h7,9-12,16-17,26,29,31-33H,1-6,8,13-15,18-20H2,(H3,28,30,34)/t26-/m0/s1 | PDB
Reactome pathway
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PC sid
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PubMed
| n/a | n/a | n/a | n/a | 7.90 | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at human beta1 receptor expressed in CHO cells assessed as cAMP accumulation |
Bioorg Med Chem 19: 6026-32 (2011)
Article DOI: 10.1016/j.bmc.2011.08.043
BindingDB Entry DOI: 10.7270/Q2DB833D |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50419317
(CHEMBL1835854)Show SMILES CCNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r| Show InChI InChI=1S/C28H43N3O5/c1-2-30-28(35)31-25-12-9-11-22(18-25)10-5-8-17-36-16-7-4-3-6-15-29-20-27(34)23-13-14-26(33)24(19-23)21-32/h9,11-14,18-19,27,29,32-34H,2-8,10,15-17,20-21H2,1H3,(H2,30,31,35)/t27-/m0/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
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PubMed
| n/a | n/a | n/a | n/a | 32 | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at human beta1 receptor expressed in CHO cells assessed as cAMP accumulation |
Bioorg Med Chem 19: 6026-32 (2011)
Article DOI: 10.1016/j.bmc.2011.08.043
BindingDB Entry DOI: 10.7270/Q2DB833D |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50419309
(CHEMBL1835853)Show SMILES NC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r| Show InChI InChI=1S/C26H39N3O5/c27-26(33)29-23-10-7-9-20(16-23)8-3-6-15-34-14-5-2-1-4-13-28-18-25(32)21-11-12-24(31)22(17-21)19-30/h7,9-12,16-17,25,28,30-32H,1-6,8,13-15,18-19H2,(H3,27,29,33)/t25-/m0/s1 | PDB
Reactome pathway
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PC cid
PC sid
UniChem
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PubMed
| n/a | n/a | n/a | n/a | 63 | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at human beta1 receptor expressed in CHO cells assessed as cAMP accumulation |
Bioorg Med Chem 19: 6026-32 (2011)
Article DOI: 10.1016/j.bmc.2011.08.043
BindingDB Entry DOI: 10.7270/Q2DB833D |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50419313
(CHEMBL1835855)Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1cccc(NC(=O)NC2CCCCC2)c1 |r| Show InChI InChI=1S/C32H49N3O5/c36-24-27-22-26(16-17-30(27)37)31(38)23-33-18-7-1-2-8-19-40-20-9-6-11-25-12-10-15-29(21-25)35-32(39)34-28-13-4-3-5-14-28/h10,12,15-17,21-22,28,31,33,36-38H,1-9,11,13-14,18-20,23-24H2,(H2,34,35,39)/t31-/m0/s1 | PDB
Reactome pathway
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PubMed
| n/a | n/a | n/a | n/a | 7.90 | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at human beta1 receptor expressed in CHO cells assessed as cAMP accumulation |
Bioorg Med Chem 19: 6026-32 (2011)
Article DOI: 10.1016/j.bmc.2011.08.043
BindingDB Entry DOI: 10.7270/Q2DB833D |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM25392
(4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...)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
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| DrugBank
Article
PubMed
| n/a | n/a | n/a | n/a | 7.90 | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at human beta1 receptor expressed in CHO cells assessed as cAMP accumulation |
Bioorg Med Chem 19: 6026-32 (2011)
Article DOI: 10.1016/j.bmc.2011.08.043
BindingDB Entry DOI: 10.7270/Q2DB833D |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM25771
(1-hydroxy-2-naphthoic acid;4-[1-hydroxy-2-[6-(4-ph...)Show InChI InChI=1S/C25H37NO4/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2 | PDB
Reactome pathway
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PubMed
| n/a | n/a | n/a | n/a | 794 | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at human beta1 receptor expressed in CHO cells assessed as cAMP accumulation |
Bioorg Med Chem 19: 6026-32 (2011)
Article DOI: 10.1016/j.bmc.2011.08.043
BindingDB Entry DOI: 10.7270/Q2DB833D |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50151720
(ARFORMOTEROL TARTRATE | CHEMBL1363 | CHEMBL605993 ...)Show SMILES COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 |r| Show InChI InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)/t13-,19+/m1/s1 | PDB
Reactome pathway
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| Article
PubMed
| n/a | n/a | n/a | n/a | 40 | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at human beta1 receptor expressed in CHO cells assessed as cAMP accumulation |
Bioorg Med Chem 19: 6026-32 (2011)
Article DOI: 10.1016/j.bmc.2011.08.043
BindingDB Entry DOI: 10.7270/Q2DB833D |
More data for this
Ligand-Target Pair | |
Beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM50419317
(CHEMBL1835854)Show SMILES CCNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r| Show InChI InChI=1S/C28H43N3O5/c1-2-30-28(35)31-25-12-9-11-22(18-25)10-5-8-17-36-16-7-4-3-6-15-29-20-27(34)23-13-14-26(33)24(19-23)21-32/h9,11-14,18-19,27,29,32-34H,2-8,10,15-17,20-21H2,1H3,(H2,30,31,35)/t27-/m0/s1 | PDB
Reactome pathway
KEGG
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 158 | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at human beta3 receptor expressed in CHO cells assessed as cAMP accumulation |
Bioorg Med Chem 19: 6026-32 (2011)
Article DOI: 10.1016/j.bmc.2011.08.043
BindingDB Entry DOI: 10.7270/Q2DB833D |
More data for this
Ligand-Target Pair | |
Beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM50419313
(CHEMBL1835855)Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1cccc(NC(=O)NC2CCCCC2)c1 |r| Show InChI InChI=1S/C32H49N3O5/c36-24-27-22-26(16-17-30(27)37)31(38)23-33-18-7-1-2-8-19-40-20-9-6-11-25-12-10-15-29(21-25)35-32(39)34-28-13-4-3-5-14-28/h10,12,15-17,21-22,28,31,33,36-38H,1-9,11,13-14,18-20,23-24H2,(H2,34,35,39)/t31-/m0/s1 | PDB
Reactome pathway
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PC sid
UniChem
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PubMed
| n/a | n/a | n/a | n/a | 2.5 | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at human beta3 receptor expressed in CHO cells assessed as cAMP accumulation |
Bioorg Med Chem 19: 6026-32 (2011)
Article DOI: 10.1016/j.bmc.2011.08.043
BindingDB Entry DOI: 10.7270/Q2DB833D |
More data for this
Ligand-Target Pair | |
Beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM50419316
(CHEMBL1835856)Show SMILES CCNC(=O)Nc1ccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc1 |r| Show InChI InChI=1S/C28H43N3O5/c1-2-30-28(35)31-25-13-10-22(11-14-25)9-5-8-18-36-17-7-4-3-6-16-29-20-27(34)23-12-15-26(33)24(19-23)21-32/h10-15,19,27,29,32-34H,2-9,16-18,20-21H2,1H3,(H2,30,31,35)/t27-/m0/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 13 | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at human beta3 receptor expressed in CHO cells assessed as cAMP accumulation |
Bioorg Med Chem 19: 6026-32 (2011)
Article DOI: 10.1016/j.bmc.2011.08.043
BindingDB Entry DOI: 10.7270/Q2DB833D |
More data for this
Ligand-Target Pair | |
Beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM50419314
(CHEMBL1835857)Show SMILES NC(=O)NCc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r| Show InChI InChI=1S/C27H41N3O5/c28-27(34)30-18-22-10-7-9-21(16-22)8-3-6-15-35-14-5-2-1-4-13-29-19-26(33)23-11-12-25(32)24(17-23)20-31/h7,9-12,16-17,26,29,31-33H,1-6,8,13-15,18-20H2,(H3,28,30,34)/t26-/m0/s1 | PDB
Reactome pathway
KEGG
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 16 | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at human beta3 receptor expressed in CHO cells assessed as cAMP accumulation |
Bioorg Med Chem 19: 6026-32 (2011)
Article DOI: 10.1016/j.bmc.2011.08.043
BindingDB Entry DOI: 10.7270/Q2DB833D |
More data for this
Ligand-Target Pair | |
Beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM50419315
(CHEMBL1835858)Show SMILES CCNC(=O)NCc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r| Show InChI InChI=1S/C29H45N3O5/c1-2-31-29(36)32-20-24-12-9-11-23(18-24)10-5-8-17-37-16-7-4-3-6-15-30-21-28(35)25-13-14-27(34)26(19-25)22-33/h9,11-14,18-19,28,30,33-35H,2-8,10,15-17,20-22H2,1H3,(H2,31,32,36)/t28-/m0/s1 | PDB
Reactome pathway
KEGG
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 32 | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at human beta3 receptor expressed in CHO cells assessed as cAMP accumulation |
Bioorg Med Chem 19: 6026-32 (2011)
Article DOI: 10.1016/j.bmc.2011.08.043
BindingDB Entry DOI: 10.7270/Q2DB833D |
More data for this
Ligand-Target Pair | |
Beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM50419310
(CHEMBL1835859)Show SMILES NC(=O)CNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r| Show InChI InChI=1S/C28H42N4O6/c29-27(36)19-31-28(37)32-24-10-7-9-21(16-24)8-3-6-15-38-14-5-2-1-4-13-30-18-26(35)22-11-12-25(34)23(17-22)20-33/h7,9-12,16-17,26,30,33-35H,1-6,8,13-15,18-20H2,(H2,29,36)(H2,31,32,37)/t26-/m0/s1 | PDB
Reactome pathway
KEGG
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
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PubMed
| n/a | n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at human beta3 receptor expressed in CHO cells assessed as cAMP accumulation |
Bioorg Med Chem 19: 6026-32 (2011)
Article DOI: 10.1016/j.bmc.2011.08.043
BindingDB Entry DOI: 10.7270/Q2DB833D |
More data for this
Ligand-Target Pair | |
Beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM50419312
(CHEMBL1835862)Show SMILES Cc1cc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc(NC(N)=O)c1 |r| Show InChI InChI=1S/C27H41N3O5/c1-20-14-21(16-24(15-20)30-27(28)34)8-4-7-13-35-12-6-3-2-5-11-29-18-26(33)22-9-10-25(32)23(17-22)19-31/h9-10,14-17,26,29,31-33H,2-8,11-13,18-19H2,1H3,(H3,28,30,34)/t26-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 40 | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at human beta3 receptor expressed in CHO cells assessed as cAMP accumulation |
Bioorg Med Chem 19: 6026-32 (2011)
Article DOI: 10.1016/j.bmc.2011.08.043
BindingDB Entry DOI: 10.7270/Q2DB833D |
More data for this
Ligand-Target Pair | |
Beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM50416060
(4-(2-((6-((2-(((2,6-dichlorophenyl)methyl)oxy)ethy...)Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCOCc1c(Cl)cccc1Cl |r| Show InChI InChI=1S/C24H33Cl2NO5/c25-21-6-5-7-22(26)20(21)17-32-13-12-31-11-4-2-1-3-10-27-15-24(30)18-8-9-23(29)19(14-18)16-28/h5-9,14,24,27-30H,1-4,10-13,15-17H2/t24-/m0/s1 | PDB
Reactome pathway
KEGG
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GoogleScholar
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| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 794 | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at human beta3 receptor expressed in CHO cells assessed as cAMP accumulation |
Bioorg Med Chem 19: 6026-32 (2011)
Article DOI: 10.1016/j.bmc.2011.08.043
BindingDB Entry DOI: 10.7270/Q2DB833D |
More data for this
Ligand-Target Pair | |
Beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM50419309
(CHEMBL1835853)Show SMILES NC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r| Show InChI InChI=1S/C26H39N3O5/c27-26(33)29-23-10-7-9-20(16-23)8-3-6-15-34-14-5-2-1-4-13-28-18-25(32)21-11-12-24(31)22(17-21)19-30/h7,9-12,16-17,25,28,30-32H,1-6,8,13-15,18-19H2,(H3,27,29,33)/t25-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | 7.90 | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at human beta3 receptor expressed in CHO cells assessed as cAMP accumulation |
Bioorg Med Chem 19: 6026-32 (2011)
Article DOI: 10.1016/j.bmc.2011.08.043
BindingDB Entry DOI: 10.7270/Q2DB833D |
More data for this
Ligand-Target Pair | |
Beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM50419311
(CHEMBL1835860)Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1cccc(NC(=O)NCC(=O)NC2CCCC2)c1 |r| Show InChI InChI=1S/C33H50N4O6/c38-24-27-21-26(15-16-30(27)39)31(40)22-34-17-6-1-2-7-18-43-19-8-5-10-25-11-9-14-29(20-25)37-33(42)35-23-32(41)36-28-12-3-4-13-28/h9,11,14-16,20-21,28,31,34,38-40H,1-8,10,12-13,17-19,22-24H2,(H,36,41)(H2,35,37,42)/t31-/m0/s1 | PDB
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PubMed
| n/a | n/a | n/a | n/a | 13 | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at human beta3 receptor expressed in CHO cells assessed as cAMP accumulation |
Bioorg Med Chem 19: 6026-32 (2011)
Article DOI: 10.1016/j.bmc.2011.08.043
BindingDB Entry DOI: 10.7270/Q2DB833D |
More data for this
Ligand-Target Pair | |
Beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM25771
(1-hydroxy-2-naphthoic acid;4-[1-hydroxy-2-[6-(4-ph...)Show InChI InChI=1S/C25H37NO4/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2 | PDB
Reactome pathway
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PubMed
| n/a | n/a | n/a | n/a | 1.26E+3 | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at human beta3 receptor expressed in CHO cells assessed as cAMP accumulation |
Bioorg Med Chem 19: 6026-32 (2011)
Article DOI: 10.1016/j.bmc.2011.08.043
BindingDB Entry DOI: 10.7270/Q2DB833D |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(GUINEA PIG) | BDBM50419309
(CHEMBL1835853)Show SMILES NC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r| Show InChI InChI=1S/C26H39N3O5/c27-26(33)29-23-10-7-9-20(16-23)8-3-6-15-34-14-5-2-1-4-13-28-18-25(32)21-11-12-24(31)22(17-21)19-30/h7,9-12,16-17,25,28,30-32H,1-6,8,13-15,18-19H2,(H3,27,29,33)/t25-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.5 | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at beta2 adrenergic receptor in guinea pig tracheal strip assessed as inhibition of electrically-induced bronchocontractile response |
Bioorg Med Chem 19: 6026-32 (2011)
Article DOI: 10.1016/j.bmc.2011.08.043
BindingDB Entry DOI: 10.7270/Q2DB833D |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(GUINEA PIG) | BDBM50419317
(CHEMBL1835854)Show SMILES CCNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r| Show InChI InChI=1S/C28H43N3O5/c1-2-30-28(35)31-25-12-9-11-22(18-25)10-5-8-17-36-16-7-4-3-6-15-29-20-27(34)23-13-14-26(33)24(19-23)21-32/h9,11-14,18-19,27,29,32-34H,2-8,10,15-17,20-21H2,1H3,(H2,30,31,35)/t27-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.30 | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at beta2 adrenergic receptor in guinea pig tracheal strip assessed as inhibition of electrically-induced bronchocontractile response |
Bioorg Med Chem 19: 6026-32 (2011)
Article DOI: 10.1016/j.bmc.2011.08.043
BindingDB Entry DOI: 10.7270/Q2DB833D |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(GUINEA PIG) | BDBM50419310
(CHEMBL1835859)Show SMILES NC(=O)CNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r| Show InChI InChI=1S/C28H42N4O6/c29-27(36)19-31-28(37)32-24-10-7-9-21(16-24)8-3-6-15-38-14-5-2-1-4-13-30-18-26(35)22-11-12-25(34)23(17-22)20-33/h7,9-12,16-17,26,30,33-35H,1-6,8,13-15,18-20H2,(H2,29,36)(H2,31,32,37)/t26-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.251 | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at beta2 adrenergic receptor in guinea pig tracheal strip assessed as inhibition of electrically-induced bronchocontractile response |
Bioorg Med Chem 19: 6026-32 (2011)
Article DOI: 10.1016/j.bmc.2011.08.043
BindingDB Entry DOI: 10.7270/Q2DB833D |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(GUINEA PIG) | BDBM50419312
(CHEMBL1835862)Show SMILES Cc1cc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc(NC(N)=O)c1 |r| Show InChI InChI=1S/C27H41N3O5/c1-20-14-21(16-24(15-20)30-27(28)34)8-4-7-13-35-12-6-3-2-5-11-29-18-26(33)22-9-10-25(32)23(17-22)19-31/h9-10,14-17,26,29,31-33H,2-8,11-13,18-19H2,1H3,(H3,28,30,34)/t26-/m0/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.60 | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at beta2 adrenergic receptor in guinea pig tracheal strip assessed as inhibition of electrically-induced bronchocontractile response |
Bioorg Med Chem 19: 6026-32 (2011)
Article DOI: 10.1016/j.bmc.2011.08.043
BindingDB Entry DOI: 10.7270/Q2DB833D |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(GUINEA PIG) | BDBM25771
(1-hydroxy-2-naphthoic acid;4-[1-hydroxy-2-[6-(4-ph...)Show InChI InChI=1S/C25H37NO4/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2 | PDB
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PubMed
| n/a | n/a | n/a | n/a | 5 | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at beta2 adrenergic receptor in guinea pig tracheal strip assessed as inhibition of electrically-induced bronchocontractile response |
Bioorg Med Chem 19: 6026-32 (2011)
Article DOI: 10.1016/j.bmc.2011.08.043
BindingDB Entry DOI: 10.7270/Q2DB833D |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(GUINEA PIG) | BDBM50151720
(ARFORMOTEROL TARTRATE | CHEMBL1363 | CHEMBL605993 ...)Show SMILES COc1ccc(C[C@@H](C)NC[C@H](O)c2ccc(O)c(NC=O)c2)cc1 |r| Show InChI InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22)/t13-,19+/m1/s1 | PDB
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PubMed
| n/a | n/a | n/a | n/a | 0.316 | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at beta2 adrenergic receptor in guinea pig tracheal strip assessed as inhibition of electrically-induced bronchocontractile response |
Bioorg Med Chem 19: 6026-32 (2011)
Article DOI: 10.1016/j.bmc.2011.08.043
BindingDB Entry DOI: 10.7270/Q2DB833D |
More data for this
Ligand-Target Pair | |
Beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM25392
(4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;...)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
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Article
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| n/a | n/a | n/a | n/a | 40 | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at human beta3 receptor expressed in CHO cells assessed as cAMP accumulation |
Bioorg Med Chem 19: 6026-32 (2011)
Article DOI: 10.1016/j.bmc.2011.08.043
BindingDB Entry DOI: 10.7270/Q2DB833D |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50419311
(CHEMBL1835860)Show SMILES OCc1cc(ccc1O)[C@@H](O)CNCCCCCCOCCCCc1cccc(NC(=O)NCC(=O)NC2CCCC2)c1 |r| Show InChI InChI=1S/C33H50N4O6/c38-24-27-21-26(15-16-30(27)39)31(40)22-34-17-6-1-2-7-18-43-19-8-5-10-25-11-9-14-29(20-25)37-33(42)35-23-32(41)36-28-12-3-4-13-28/h9,11,14-16,20-21,28,31,34,38-40H,1-8,10,12-13,17-19,22-24H2,(H,36,41)(H2,35,37,42)/t31-/m0/s1 | PDB
Reactome pathway
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| n/a | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at human beta1 receptor expressed in CHO cells assessed as cAMP accumulation |
Bioorg Med Chem 19: 6026-32 (2011)
Article DOI: 10.1016/j.bmc.2011.08.043
BindingDB Entry DOI: 10.7270/Q2DB833D |
More data for this
Ligand-Target Pair | |
Beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM50419319
(CHEMBL1835861)Show SMILES NC(=O)Nc1cc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)cc(c1)C(F)(F)F |r| Show InChI InChI=1S/C27H38F3N3O5/c28-27(29,30)22-13-19(14-23(16-22)33-26(31)37)7-3-6-12-38-11-5-2-1-4-10-32-17-25(36)20-8-9-24(35)21(15-20)18-34/h8-9,13-16,25,32,34-36H,1-7,10-12,17-18H2,(H3,31,33,37)/t25-/m0/s1 | PDB
Reactome pathway
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PubMed
| n/a | n/a | n/a | n/a | 25 | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at human beta3 receptor expressed in CHO cells assessed as cAMP accumulation |
Bioorg Med Chem 19: 6026-32 (2011)
Article DOI: 10.1016/j.bmc.2011.08.043
BindingDB Entry DOI: 10.7270/Q2DB833D |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50419317
(CHEMBL1835854)Show SMILES CCNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r| Show InChI InChI=1S/C28H43N3O5/c1-2-30-28(35)31-25-12-9-11-22(18-25)10-5-8-17-36-16-7-4-3-6-15-29-20-27(34)23-13-14-26(33)24(19-23)21-32/h9,11-14,18-19,27,29,32-34H,2-8,10,15-17,20-21H2,1H3,(H2,30,31,35)/t27-/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/a | n/a | n/a | n/a | 1 | n/a | n/a | n/a | n/a |
GlaxoSmithKline Medicines Research Centre
Curated by ChEMBL
| Assay Description
Agonist activity at human beta2 receptor expressed in CHO cells assessed as cAMP accumulation |
Bioorg Med Chem 19: 6026-32 (2011)
Article DOI: 10.1016/j.bmc.2011.08.043
BindingDB Entry DOI: 10.7270/Q2DB833D |
More data for this
Ligand-Target Pair | |
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