Found 611 hits with Last Name = 'imamura' and Initial = 'e' 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 |
|---|
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50615151
(CHEMBL5276087)Show SMILES Cc1cc(ccn1)-c1ccc(o1)C(=O)Nc1cn(nc1C(N)=O)C1CCOCC1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| UniChem
| | n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50615153
(CHEMBL5271317)Show SMILES CCc1cc(ccn1)-c1nc(co1)C(=O)Nc1cn(nc1C(N)=O)C1CCOCC1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50615139
(CHEMBL5275145)Show SMILES Cl.CCn1cc(NC(=O)c2coc(n2)-c2ccnc(C)c2)c(n1)C(N)=O | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50615141
(CHEMBL5283224)Show SMILES Cl.Cc1cc(ccn1)-c1nc(co1)C(=O)Nc1cn(C)nc1C(N)=O | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50615149
(CHEMBL5283174)Show SMILES Cl.CC(=O)N1CCC(CC1)n1cc(NC(=O)c2coc(n2)-c2ccnc(C)c2)c(n1)C(N)=O | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50615148
(CHEMBL5278799)Show SMILES Cl.Cl.CN1CCC(CC1)n1cc(NC(=O)c2coc(n2)-c2ccnc(C)c2)c(n1)C(N)=O | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50615144
(CHEMBL5277206)Show SMILES COCCn1cc(NC(=O)c2coc(n2)-c2ccnc(C)c2)c(n1)C(N)=O | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50615138
(CHEMBL5278052)Show SMILES Cl.CCn1cc(NC(=O)c2csc(n2)-c2ccncc2)c(n1)C(N)=O | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50040874
(CHEMBL3353187)Show SMILES Cl.Cc1cc(ccn1)-c1nc(co1)C(=O)Nc1cn(nc1C(N)=O)C1CCOCC1 Show InChI InChI=1S/C19H20N6O4/c1-11-8-12(2-5-21-11)19-23-15(10-29-19)18(27)22-14-9-25(24-16(14)17(20)26)13-3-6-28-7-4-13/h2,5,8-10,13H,3-4,6-7H2,1H3,(H2,20,26)(H,22,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50615152
(CHEMBL5282374)Show SMILES Cc1cc(ccn1)-n1ccc(n1)C(=O)Nc1cn(nc1C(N)=O)C1CCOCC1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50615142
(CHEMBL5280941)Show SMILES Cl.CCCCn1cc(NC(=O)c2coc(n2)-c2ccnc(C)c2)c(n1)C(N)=O | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50615157
(CHEMBL5276741)Show SMILES NC(=O)c1nn(cc1NC(=O)c1coc(n1)-c1ccc(F)cc1)C1CCOCC1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50615145
(CHEMBL5284584)Show SMILES Cl.Cc1cc(ccn1)-c1nc(co1)C(=O)Nc1cn(nc1C(N)=O)C1CCOC1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50615158
(CHEMBL5286860)Show SMILES Cn1cc(ccc1=O)-c1nc(co1)C(=O)Nc1cn(nc1C(N)=O)C1CCOCC1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50615146
(CHEMBL5287520)Show SMILES Cl.Cc1cc(ccn1)-c1nc(co1)C(=O)Nc1cn(CC2CCOC2)nc1C(N)=O | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50615143
(CHEMBL5274350)Show SMILES Cl.CC(C)Cn1cc(NC(=O)c2coc(n2)-c2ccnc(C)c2)c(n1)C(N)=O | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50615155
(CHEMBL5290771)Show SMILES NC(=O)c1nn(cc1NC(=O)c1coc(n1)-c1ccnc(CO)c1)C1CCOCC1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50615154
(CHEMBL5275179)Show SMILES NC(=O)c1nn(cc1NC(=O)c1coc(n1)-c1ccnc(c1)C1CC1)C1CCOCC1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50615150
(CHEMBL5288843)Show SMILES Cc1cc(ccn1)-c1ncc(o1)C(=O)Nc1cn(nc1C(N)=O)C1CCOCC1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50615156
(CHEMBL5268077)Show SMILES NC(=O)c1nn(cc1NC(=O)c1coc(n1)-c1ccncc1F)C1CCOCC1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 82 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50615140
(CHEMBL5267973)Show SMILES Cc1cc(ccn1)-c1nc(co1)C(=O)Nc1c[nH]nc1C(N)=O | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 4
(Homo sapiens (Human)) | BDBM50615147
(CHEMBL5286338)Show SMILES Cl.Cc1cc(ccn1)-c1nc(co1)C(=O)Nc1cn(CC2(C)COC2)nc1C(N)=O | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Interleukin-1 receptor-associated kinase 1
(Homo sapiens (Human)) | BDBM50040874
(CHEMBL3353187)Show SMILES Cl.Cc1cc(ccn1)-c1nc(co1)C(=O)Nc1cn(nc1C(N)=O)C1CCOCC1 Show InChI InChI=1S/C19H20N6O4/c1-11-8-12(2-5-21-11)19-23-15(10-29-19)18(27)22-14-9-25(24-16(14)17(20)26)13-3-6-28-7-4-13/h2,5,8-10,13H,3-4,6-7H2,1H3,(H2,20,26)(H,22,27) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50243343
(4-(2-{[(1S,2R)-2-Hydroxy-1-methyl-2-phenylethyl]am...)Show SMILES CCCOc1cc(ccc1C(O)=O)-c1ccc(CCN[C@@H](C)[C@H](O)c2ccccc2)cc1 |r| Show InChI InChI=1S/C27H31NO4/c1-3-17-32-25-18-23(13-14-24(25)27(30)31)21-11-9-20(10-12-21)15-16-28-19(2)26(29)22-7-5-4-6-8-22/h4-14,18-19,26,28-29H,3,15-17H2,1-2H3,(H,30,31)/t19-,26-/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 | >1.00E+4 | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay |
J Med Chem 51: 4002-20 (2008)
Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50243342
(4-(2-{[(1S,2R)-2-Hydroxy-1-methyl-2-phenylethyl]am...)Show SMILES CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(CCN[C@@H](C)[C@H](O)c2ccccc2)cc1 |r| Show InChI InChI=1S/C27H31NO4/c1-18(2)32-25-17-23(13-14-24(25)27(30)31)21-11-9-20(10-12-21)15-16-28-19(3)26(29)22-7-5-4-6-8-22/h4-14,17-19,26,28-29H,15-16H2,1-3H3,(H,30,31)/t19-,26-/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 | >1.00E+4 | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay |
J Med Chem 51: 4002-20 (2008)
Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50236183
((R)-4'-(2-(2-(3-chlorophenyl)-2-hydroxyethylamino)...)Show SMILES CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2cccc(Cl)c2)cc1 |r| Show InChI InChI=1S/C26H28ClNO4/c1-17(2)32-25-15-20(10-11-23(25)26(30)31)19-8-6-18(7-9-19)12-13-28-16-24(29)21-4-3-5-22(27)14-21/h3-11,14-15,17,24,28-29H,12-13,16H2,1-2H3,(H,30,31)/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/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay |
J Med Chem 51: 4002-20 (2008)
Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50236185
((R)-4'-(2-(2-hydroxy-2-phenylethylamino)ethyl)-3-i...)Show SMILES CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2ccccc2)cc1 |r| Show InChI InChI=1S/C26H29NO4/c1-18(2)31-25-16-22(12-13-23(25)26(29)30)20-10-8-19(9-11-20)14-15-27-17-24(28)21-6-4-3-5-7-21/h3-13,16,18,24,27-28H,14-15,17H2,1-2H3,(H,29,30)/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/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay |
J Med Chem 51: 4002-20 (2008)
Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50243392
(4-((2R)-2-{[(2R)-2-Hydroxy-2-(3-pyridinyl)ethyl]am...)Show SMILES CCCOc1cc(ccc1C(O)=O)-c1ccc(C[C@@H](C)NC[C@H](O)c2cccnc2)cc1 |r| Show InChI InChI=1S/C26H30N2O4/c1-3-13-32-25-15-21(10-11-23(25)26(30)31)20-8-6-19(7-9-20)14-18(2)28-17-24(29)22-5-4-12-27-16-22/h4-12,15-16,18,24,28-29H,3,13-14,17H2,1-2H3,(H,30,31)/t18-,24+/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/a | n/a | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay |
J Med Chem 51: 4002-20 (2008)
Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50243225
(4-((2R)-2-{[(2R)-2-Hydroxy-2-phenylethyl]amino}pro...)Show SMILES CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(C[C@@H](C)NC[C@H](O)c2ccccc2)cc1 |r| Show InChI InChI=1S/C27H31NO4/c1-18(2)32-26-16-23(13-14-24(26)27(30)31)21-11-9-20(10-12-21)15-19(3)28-17-25(29)22-7-5-4-6-8-22/h4-14,16,18-19,25,28-29H,15,17H2,1-3H3,(H,30,31)/t19-,25+/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/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay |
J Med Chem 51: 4002-20 (2008)
Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50243222
(4-[(2R)-2-{[(2R)-2-Hydroxy-2-phenylethyl]amino}pro...)Show SMILES C[C@H](Cc1ccc(cc1)-c1ccc(cc1)C(O)=O)NC[C@H](O)c1ccccc1 |r| Show InChI InChI=1S/C24H25NO3/c1-17(25-16-23(26)21-5-3-2-4-6-21)15-18-7-9-19(10-8-18)20-11-13-22(14-12-20)24(27)28/h2-14,17,23,25-26H,15-16H2,1H3,(H,27,28)/t17-,23+/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/a | n/a | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay |
J Med Chem 51: 4002-20 (2008)
Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50236181
((R)-4'-(2-(2-hydroxy-2-phenylethylamino)ethyl)-3-i...)Show SMILES CC(C)Cc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2ccccc2)cc1 |r| Show InChI InChI=1S/C27H31NO3/c1-19(2)16-24-17-23(12-13-25(24)27(30)31)21-10-8-20(9-11-21)14-15-28-18-26(29)22-6-4-3-5-7-22/h3-13,17,19,26,28-29H,14-16,18H2,1-2H3,(H,30,31)/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 | >1.00E+4 | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay |
J Med Chem 51: 4002-20 (2008)
Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50243113
(4-(2-{[(2R)-2-(6-Amino-3-pyridinyl)-2-hydroxyethyl...)Show SMILES CC(C)Cc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2ccc(N)nc2)cc1 |r| Show InChI InChI=1S/C26H31N3O3/c1-17(2)13-22-14-20(7-9-23(22)26(31)32)19-5-3-18(4-6-19)11-12-28-16-24(30)21-8-10-25(27)29-15-21/h3-10,14-15,17,24,28,30H,11-13,16H2,1-2H3,(H2,27,29)(H,31,32)/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/a | n/a | n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay |
J Med Chem 51: 4002-20 (2008)
Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50243112
((R)-3-(cyclohexyloxy)-4'-(2-(2-hydroxy-2-(pyridin-...)Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1ccc(C(O)=O)c(OC2CCCCC2)c1)c1cccnc1 |r| Show InChI InChI=1S/C28H32N2O4/c31-26(23-5-4-15-29-18-23)19-30-16-14-20-8-10-21(11-9-20)22-12-13-25(28(32)33)27(17-22)34-24-6-2-1-3-7-24/h4-5,8-13,15,17-18,24,26,30-31H,1-3,6-7,14,16,19H2,(H,32,33)/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 | >1.00E+4 | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay |
J Med Chem 51: 4002-20 (2008)
Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50243110
(4-(2-{[(2R)-2-(6-Amino-3-pyridinyl)-2-hydroxyethyl...)Show SMILES CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2ccc(N)nc2)cc1 |r| Show InChI InChI=1S/C25H29N3O4/c1-16(2)32-23-13-19(7-9-21(23)25(30)31)18-5-3-17(4-6-18)11-12-27-15-22(29)20-8-10-24(26)28-14-20/h3-10,13-14,16,22,27,29H,11-12,15H2,1-2H3,(H2,26,28)(H,30,31)/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/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay |
J Med Chem 51: 4002-20 (2008)
Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50243390
(4-((2R)-2-{[(2R)-2-Hydroxy-2-(3-pyridinyl)ethyl]am...)Show SMILES C[C@H](Cc1ccc(cc1)-c1ccc(cc1)C(O)=O)NC[C@H](O)c1cccnc1 |r| Show InChI InChI=1S/C23H24N2O3/c1-16(25-15-22(26)21-3-2-12-24-14-21)13-17-4-6-18(7-5-17)19-8-10-20(11-9-19)23(27)28/h2-12,14,16,22,25-26H,13,15H2,1H3,(H,27,28)/t16-,22+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay |
J Med Chem 51: 4002-20 (2008)
Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50243391
(4-((2R)-2-{[(2R)-2-Hydroxy-2-(3-pyridyl)ethyl]amin...)Show SMILES CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(C[C@@H](C)NC[C@H](O)c2cccnc2)cc1 |r| Show InChI InChI=1S/C26H30N2O4/c1-17(2)32-25-14-21(10-11-23(25)26(30)31)20-8-6-19(7-9-20)13-18(3)28-16-24(29)22-5-4-12-27-15-22/h4-12,14-15,17-18,24,28-29H,13,16H2,1-3H3,(H,30,31)/t18-,24+/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/a | n/a | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay |
J Med Chem 51: 4002-20 (2008)
Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50243064
((R)-4'-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)et...)Show SMILES CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2cccnc2)cc1 |r| Show InChI InChI=1S/C25H28N2O4/c1-17(2)31-24-14-20(9-10-22(24)25(29)30)19-7-5-18(6-8-19)11-13-27-16-23(28)21-4-3-12-26-15-21/h3-10,12,14-15,17,23,27-28H,11,13,16H2,1-2H3,(H,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/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay |
J Med Chem 51: 4002-20 (2008)
Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50243167
(4-(2-{[(2R)-2-(6-Amino-3-pyridinyl)-2-hydroxyethyl...)Show SMILES Nc1ccc(cn1)[C@@H](O)CNCCc1ccc(cc1)-c1ccc(C(O)=O)c(OC2CCCCC2)c1 |r| Show InChI InChI=1S/C28H33N3O4/c29-27-13-11-22(17-31-27)25(32)18-30-15-14-19-6-8-20(9-7-19)21-10-12-24(28(33)34)26(16-21)35-23-4-2-1-3-5-23/h6-13,16-17,23,25,30,32H,1-5,14-15,18H2,(H2,29,31)(H,33,34)/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 | 1.10E+3 | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay |
J Med Chem 51: 4002-20 (2008)
Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD |
More data for this
Ligand-Target Pair | |
Beta-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 | 2 | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay |
J Med Chem 51: 4002-20 (2008)
Article DOI: 10.1021/jm8000345
BindingDB Entry DOI: 10.7270/Q2MS3SKD |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Beta-3 adrenergic receptor
(Canis familiaris) | BDBM50249662
(4'-(2-{[(2R)-2-(6-Aminopyridin-3-yl)-2-hydroxyethy...)Show SMILES CS(=O)(=O)NC(=O)c1ccc(cc1OC1CCCCC1)-c1ccc(CCNC[C@H](O)c2cnccc2N)cc1 |r| Show InChI InChI=1S/C29H36N4O5S/c1-39(36,37)33-29(35)24-12-11-22(17-28(24)38-23-5-3-2-4-6-23)21-9-7-20(8-10-21)13-15-32-19-27(34)25-18-31-16-14-26(25)30/h7-12,14,16-18,23,27,32,34H,2-6,13,15,19H2,1H3,(H2,30,31)(H,33,35)/t27-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
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 |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at dog recombinant beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immunoassay |
J Med Chem 52: 3063-72 (2009)
Article DOI: 10.1021/jm9000709
BindingDB Entry DOI: 10.7270/Q2S75G6J |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50236185
((R)-4'-(2-(2-hydroxy-2-phenylethylamino)ethyl)-3-i...)Show SMILES CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2ccccc2)cc1 |r| Show InChI InChI=1S/C26H29NO4/c1-18(2)31-25-16-22(12-13-23(25)26(29)30)20-10-8-19(9-11-20)14-15-27-17-24(28)21-6-4-3-5-7-21/h3-13,16,18,24,27-28H,14-15,17H2,1-2H3,(H,29,30)/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/a | n/a | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immunoassay |
J Med Chem 52: 3063-72 (2009)
Article DOI: 10.1021/jm9000709
BindingDB Entry DOI: 10.7270/Q2S75G6J |
More data for this
Ligand-Target Pair | |
Beta-3 adrenergic receptor
(Canis familiaris) | BDBM50277503
(3-(Cyclohexyloxy)-4'-(2-{[(2R)-2-hydroxy-2-phenyle...)Show SMILES CS(=O)(=O)NC(=O)c1ccc(cc1OC1CCCCC1)-c1ccc(CCNC[C@H](O)c2ccccc2)cc1 |r| Show InChI InChI=1S/C30H36N2O5S/c1-38(35,36)32-30(34)27-17-16-25(20-29(27)37-26-10-6-3-7-11-26)23-14-12-22(13-15-23)18-19-31-21-28(33)24-8-4-2-5-9-24/h2,4-5,8-9,12-17,20,26,28,31,33H,3,6-7,10-11,18-19,21H2,1H3,(H,32,34)/t28-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.830 | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at dog recombinant beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immunoassay |
J Med Chem 52: 3063-72 (2009)
Article DOI: 10.1021/jm9000709
BindingDB Entry DOI: 10.7270/Q2S75G6J |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50243064
((R)-4'-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)et...)Show SMILES CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2cccnc2)cc1 |r| Show InChI InChI=1S/C25H28N2O4/c1-17(2)31-24-14-20(9-10-22(24)25(29)30)19-7-5-18(6-8-19)11-13-27-16-23(28)21-4-3-12-26-15-21/h3-10,12,14-15,17,23,27-28H,11,13,16H2,1-2H3,(H,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/a | n/a | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immunoassay |
J Med Chem 52: 3063-72 (2009)
Article DOI: 10.1021/jm9000709
BindingDB Entry DOI: 10.7270/Q2S75G6J |
More data for this
Ligand-Target Pair | |
Beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM50243064
((R)-4'-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)et...)Show SMILES CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2cccnc2)cc1 |r| Show InChI InChI=1S/C25H28N2O4/c1-17(2)31-24-14-20(9-10-22(24)25(29)30)19-7-5-18(6-8-19)11-13-27-16-23(28)21-4-3-12-26-15-21/h3-10,12,14-15,17,23,27-28H,11,13,16H2,1-2H3,(H,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/a | n/a | n/a | n/a | 1.5 | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human recombinant beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immunoassay |
J Med Chem 52: 3063-72 (2009)
Article DOI: 10.1021/jm9000709
BindingDB Entry DOI: 10.7270/Q2S75G6J |
More data for this
Ligand-Target Pair | |
Beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM50249638
(4'-(2-{[(2R)-2-(4-Aminophenyl)-2-hydroxyethyl]amin...)Show SMILES CS(=O)(=O)NC(=O)c1ccc(cc1OC1CCCCC1)-c1ccc(CCNC[C@H](O)c2ccc(N)cc2)cc1 |r| Show InChI InChI=1S/C30H37N3O5S/c1-39(36,37)33-30(35)27-16-13-24(19-29(27)38-26-5-3-2-4-6-26)22-9-7-21(8-10-22)17-18-32-20-28(34)23-11-14-25(31)15-12-23/h7-16,19,26,28,32,34H,2-6,17-18,20,31H2,1H3,(H,33,35)/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 | 0.5 | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human recombinant beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immunoassay |
J Med Chem 52: 3063-72 (2009)
Article DOI: 10.1021/jm9000709
BindingDB Entry DOI: 10.7270/Q2S75G6J |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50243112
((R)-3-(cyclohexyloxy)-4'-(2-(2-hydroxy-2-(pyridin-...)Show SMILES O[C@@H](CNCCc1ccc(cc1)-c1ccc(C(O)=O)c(OC2CCCCC2)c1)c1cccnc1 |r| Show InChI InChI=1S/C28H32N2O4/c31-26(23-5-4-15-29-18-23)19-30-16-14-20-8-10-21(11-9-20)22-12-13-25(28(32)33)27(17-22)34-24-6-2-1-3-7-24/h4-5,8-13,15,17-18,24,26,30-31H,1-3,6-7,14,16,19H2,(H,32,33)/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 | >1.00E+3 | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immunoassay |
J Med Chem 52: 3063-72 (2009)
Article DOI: 10.1021/jm9000709
BindingDB Entry DOI: 10.7270/Q2S75G6J |
More data for this
Ligand-Target Pair | |
Beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM50249637
(4'-(2-{[(2R)-2-(4-Aminophenyl)-2-hydroxyethyl]amin...)Show SMILES CC(C)Oc1cc(ccc1C(=O)NS(C)(=O)=O)-c1ccc(CCNC[C@H](O)c2ccc(N)cc2)cc1 |r| Show InChI InChI=1S/C27H33N3O5S/c1-18(2)35-26-16-22(10-13-24(26)27(32)30-36(3,33)34)20-6-4-19(5-7-20)14-15-29-17-25(31)21-8-11-23(28)12-9-21/h4-13,16,18,25,29,31H,14-15,17,28H2,1-3H3,(H,30,32)/t25-/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 | 5.5 | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human recombinant beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immunoassay |
J Med Chem 52: 3063-72 (2009)
Article DOI: 10.1021/jm9000709
BindingDB Entry DOI: 10.7270/Q2S75G6J |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50236182
((R)-4'-(2-(2-(3-chlorophenyl)-2-hydroxyethylamino)...)Show SMILES COc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2cccc(Cl)c2)cc1 |r| Show InChI InChI=1S/C24H24ClNO4/c1-30-23-14-18(9-10-21(23)24(28)29)17-7-5-16(6-8-17)11-12-26-15-22(27)19-3-2-4-20(25)13-19/h2-10,13-14,22,26-27H,11-12,15H2,1H3,(H,28,29)/t22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immunoassay |
J Med Chem 52: 3063-72 (2009)
Article DOI: 10.1021/jm9000709
BindingDB Entry DOI: 10.7270/Q2S75G6J |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50277531
(4'-(2-{[(2R)-2-Hydroxy-2-phenylethyl]amino}ethyl)-...)Show SMILES CC(C)Cc1cc(ccc1C(=O)NS(C)(=O)=O)-c1ccc(CCNC[C@H](O)c2ccccc2)cc1 |r| Show InChI InChI=1S/C28H34N2O4S/c1-20(2)17-25-18-24(13-14-26(25)28(32)30-35(3,33)34)22-11-9-21(10-12-22)15-16-29-19-27(31)23-7-5-4-6-8-23/h4-14,18,20,27,29,31H,15-17,19H2,1-3H3,(H,30,32)/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 | >1.00E+4 | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immunoassay |
J Med Chem 52: 3063-72 (2009)
Article DOI: 10.1021/jm9000709
BindingDB Entry DOI: 10.7270/Q2S75G6J |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50236160
((R)-4'-(2-(2-hydroxy-2-phenylethylamino)ethyl)-3-(...)Show SMILES CC(C)Nc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2ccccc2)cc1 |r| Show InChI InChI=1S/C26H30N2O3/c1-18(2)28-24-16-22(12-13-23(24)26(30)31)20-10-8-19(9-11-20)14-15-27-17-25(29)21-6-4-3-5-7-21/h3-13,16,18,25,27-29H,14-15,17H2,1-2H3,(H,30,31)/t25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 586 | n/a | n/a | n/a | n/a |
Astellas Pharma Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at human recombinant beta2 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immunoassay |
J Med Chem 52: 3063-72 (2009)
Article DOI: 10.1021/jm9000709
BindingDB Entry DOI: 10.7270/Q2S75G6J |
More data for this
Ligand-Target Pair | |
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