Found 25 hits of Enzyme Inhibition Constant Data 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-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50338820
(CHEMBL1684584 | trans-N-(4-(((2S,5R)-5-((R)-hydrox...)Show SMILES O[C@@H]([C@H]1CC[C@H](Cc2ccc(NS(=O)(=O)c3ccc(cc3)-c3nc(cs3)-c3ccc(cc3)C(F)(F)F)cc2)N1)c1ccccc1 |r| Show InChI InChI=1S/C34H30F3N3O3S2/c35-34(36,37)26-12-8-23(9-13-26)31-21-44-33(39-31)25-10-17-29(18-11-25)45(42,43)40-27-14-6-22(7-15-27)20-28-16-19-30(38-28)32(41)24-4-2-1-3-5-24/h1-15,17-18,21,28,30,32,38,40-41H,16,19-20H2/t28-,30-,32-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 242 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Agonist activity at human beta1 adrenergic receptor |
Bioorg Med Chem Lett 21: 1865-70 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.087
BindingDB Entry DOI: 10.7270/Q27081R3 |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50338820
(CHEMBL1684584 | trans-N-(4-(((2S,5R)-5-((R)-hydrox...)Show SMILES O[C@@H]([C@H]1CC[C@H](Cc2ccc(NS(=O)(=O)c3ccc(cc3)-c3nc(cs3)-c3ccc(cc3)C(F)(F)F)cc2)N1)c1ccccc1 |r| Show InChI InChI=1S/C34H30F3N3O3S2/c35-34(36,37)26-12-8-23(9-13-26)31-21-44-33(39-31)25-10-17-29(18-11-25)45(42,43)40-27-14-6-22(7-15-27)20-28-16-19-30(38-28)32(41)24-4-2-1-3-5-24/h1-15,17-18,21,28,30,32,38,40-41H,16,19-20H2/t28-,30-,32-/m1/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/a | n/a | 297 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Agonist activity at human beta2 adrenergic receptor |
Bioorg Med Chem Lett 21: 1865-70 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.087
BindingDB Entry DOI: 10.7270/Q27081R3 |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50338814
((R)-N-(4-(2-(2-hydroxy-2-phenylethylamino)ethyl)ph...)Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(cs2)-c2ccc(cc2)C(F)(F)F)cc1)c1ccccc1 |r| Show InChI InChI=1S/C32H28F3N3O3S2/c33-32(34,35)26-12-8-23(9-13-26)29-21-42-31(37-29)25-10-16-28(17-11-25)43(40,41)38-27-14-6-22(7-15-27)18-19-36-20-30(39)24-4-2-1-3-5-24/h1-17,21,30,36,38-39H,18-20H2/t30-/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 | 780 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Agonist activity at human beta2 adrenergic receptor |
Bioorg Med Chem Lett 21: 1865-70 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.087
BindingDB Entry DOI: 10.7270/Q27081R3 |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50338814
((R)-N-(4-(2-(2-hydroxy-2-phenylethylamino)ethyl)ph...)Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(cs2)-c2ccc(cc2)C(F)(F)F)cc1)c1ccccc1 |r| Show InChI InChI=1S/C32H28F3N3O3S2/c33-32(34,35)26-12-8-23(9-13-26)29-21-42-31(37-29)25-10-16-28(17-11-25)43(40,41)38-27-14-6-22(7-15-27)18-19-36-20-30(39)24-4-2-1-3-5-24/h1-17,21,30,36,38-39H,18-20H2/t30-/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 | 1.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Agonist activity at human beta1 adrenergic receptor |
Bioorg Med Chem Lett 21: 1865-70 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.087
BindingDB Entry DOI: 10.7270/Q27081R3 |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50338818
(CHEMBL1684582 | N-(4-(((5R)-5-((S)-hydroxy(phenyl)...)Show SMILES O[C@H]([C@H]1CCC(Cc2ccc(NS(=O)(=O)c3ccc(cc3)-c3nc(cs3)-c3ccc(cc3)C(F)(F)F)cc2)N1)c1ccccc1 |r| Show InChI InChI=1S/C34H30F3N3O3S2/c35-34(36,37)26-12-8-23(9-13-26)31-21-44-33(39-31)25-10-17-29(18-11-25)45(42,43)40-27-14-6-22(7-15-27)20-28-16-19-30(38-28)32(41)24-4-2-1-3-5-24/h1-15,17-18,21,28,30,32,38,40-41H,16,19-20H2/t28?,30-,32+/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.52E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Agonist activity at human beta1 adrenergic receptor |
Bioorg Med Chem Lett 21: 1865-70 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.087
BindingDB Entry DOI: 10.7270/Q27081R3 |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50338816
(CHEMBL1684580 | N-(4-(((5S)-5-((S)-hydroxy(phenyl)...)Show SMILES O[C@H]([C@@H]1CCC(Cc2ccc(NS(=O)(=O)c3ccc(cc3)-c3nc(cs3)-c3ccc(cc3)C(F)(F)F)cc2)N1)c1ccccc1 |r| Show InChI InChI=1S/C34H30F3N3O3S2/c35-34(36,37)26-12-8-23(9-13-26)31-21-44-33(39-31)25-10-17-29(18-11-25)45(42,43)40-27-14-6-22(7-15-27)20-28-16-19-30(38-28)32(41)24-4-2-1-3-5-24/h1-15,17-18,21,28,30,32,38,40-41H,16,19-20H2/t28?,30-,32-/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 | 1.78E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Agonist activity at human beta1 adrenergic receptor |
Bioorg Med Chem Lett 21: 1865-70 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.087
BindingDB Entry DOI: 10.7270/Q27081R3 |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50338817
(CHEMBL1684581 | N-(4-(((5S)-5-((R)-hydroxy(phenyl)...)Show SMILES O[C@@H]([C@@H]1CCC(Cc2ccc(NS(=O)(=O)c3ccc(cc3)-c3nc(cs3)-c3ccc(cc3)C(F)(F)F)cc2)N1)c1ccccc1 |r| Show InChI InChI=1S/C34H30F3N3O3S2/c35-34(36,37)26-12-8-23(9-13-26)31-21-44-33(39-31)25-10-17-29(18-11-25)45(42,43)40-27-14-6-22(7-15-27)20-28-16-19-30(38-28)32(41)24-4-2-1-3-5-24/h1-15,17-18,21,28,30,32,38,40-41H,16,19-20H2/t28?,30-,32+/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 | 2.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Agonist activity at human beta1 adrenergic receptor |
Bioorg Med Chem Lett 21: 1865-70 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.087
BindingDB Entry DOI: 10.7270/Q27081R3 |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50338815
(CHEMBL1684577 | N-(4-(((5R)-5-((R)-hydroxy(phenyl)...)Show SMILES O[C@@H]([C@H]1CCC(Cc2ccc(NS(=O)(=O)c3ccc(cc3)-c3nc(cs3)-c3ccc(cc3)C(F)(F)F)cc2)N1)c1ccccc1 |r| Show InChI InChI=1S/C34H30F3N3O3S2/c35-34(36,37)26-12-8-23(9-13-26)31-21-44-33(39-31)25-10-17-29(18-11-25)45(42,43)40-27-14-6-22(7-15-27)20-28-16-19-30(38-28)32(41)24-4-2-1-3-5-24/h1-15,17-18,21,28,30,32,38,40-41H,16,19-20H2/t28?,30-,32-/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 | 2.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Agonist activity at human beta2 adrenergic receptor |
Bioorg Med Chem Lett 21: 1865-70 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.087
BindingDB Entry DOI: 10.7270/Q27081R3 |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50338819
(CHEMBL1684583 | cis-N-(4-(((2S,5R)-5-((R)-hydroxy(...)Show SMILES O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NS(=O)(=O)c3ccc(cc3)-c3nc(cs3)-c3ccc(cc3)C(F)(F)F)cc2)N1)c1ccccc1 |r| Show InChI InChI=1S/C34H30F3N3O3S2/c35-34(36,37)26-12-8-23(9-13-26)31-21-44-33(39-31)25-10-17-29(18-11-25)45(42,43)40-27-14-6-22(7-15-27)20-28-16-19-30(38-28)32(41)24-4-2-1-3-5-24/h1-15,17-18,21,28,30,32,38,40-41H,16,19-20H2/t28-,30+,32+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Agonist activity at human beta1 adrenergic receptor |
Bioorg Med Chem Lett 21: 1865-70 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.087
BindingDB Entry DOI: 10.7270/Q27081R3 |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50338819
(CHEMBL1684583 | cis-N-(4-(((2S,5R)-5-((R)-hydroxy(...)Show SMILES O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NS(=O)(=O)c3ccc(cc3)-c3nc(cs3)-c3ccc(cc3)C(F)(F)F)cc2)N1)c1ccccc1 |r| Show InChI InChI=1S/C34H30F3N3O3S2/c35-34(36,37)26-12-8-23(9-13-26)31-21-44-33(39-31)25-10-17-29(18-11-25)45(42,43)40-27-14-6-22(7-15-27)20-28-16-19-30(38-28)32(41)24-4-2-1-3-5-24/h1-15,17-18,21,28,30,32,38,40-41H,16,19-20H2/t28-,30+,32+/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/a | n/a | 2.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Agonist activity at human beta2 adrenergic receptor |
Bioorg Med Chem Lett 21: 1865-70 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.087
BindingDB Entry DOI: 10.7270/Q27081R3 |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50338818
(CHEMBL1684582 | N-(4-(((5R)-5-((S)-hydroxy(phenyl)...)Show SMILES O[C@H]([C@H]1CCC(Cc2ccc(NS(=O)(=O)c3ccc(cc3)-c3nc(cs3)-c3ccc(cc3)C(F)(F)F)cc2)N1)c1ccccc1 |r| Show InChI InChI=1S/C34H30F3N3O3S2/c35-34(36,37)26-12-8-23(9-13-26)31-21-44-33(39-31)25-10-17-29(18-11-25)45(42,43)40-27-14-6-22(7-15-27)20-28-16-19-30(38-28)32(41)24-4-2-1-3-5-24/h1-15,17-18,21,28,30,32,38,40-41H,16,19-20H2/t28?,30-,32+/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 | 2.79E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Agonist activity at human beta2 adrenergic receptor |
Bioorg Med Chem Lett 21: 1865-70 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.087
BindingDB Entry DOI: 10.7270/Q27081R3 |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50338815
(CHEMBL1684577 | N-(4-(((5R)-5-((R)-hydroxy(phenyl)...)Show SMILES O[C@@H]([C@H]1CCC(Cc2ccc(NS(=O)(=O)c3ccc(cc3)-c3nc(cs3)-c3ccc(cc3)C(F)(F)F)cc2)N1)c1ccccc1 |r| Show InChI InChI=1S/C34H30F3N3O3S2/c35-34(36,37)26-12-8-23(9-13-26)31-21-44-33(39-31)25-10-17-29(18-11-25)45(42,43)40-27-14-6-22(7-15-27)20-28-16-19-30(38-28)32(41)24-4-2-1-3-5-24/h1-15,17-18,21,28,30,32,38,40-41H,16,19-20H2/t28?,30-,32-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.93E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Agonist activity at human beta1 adrenergic receptor |
Bioorg Med Chem Lett 21: 1865-70 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.087
BindingDB Entry DOI: 10.7270/Q27081R3 |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50338817
(CHEMBL1684581 | N-(4-(((5S)-5-((R)-hydroxy(phenyl)...)Show SMILES O[C@@H]([C@@H]1CCC(Cc2ccc(NS(=O)(=O)c3ccc(cc3)-c3nc(cs3)-c3ccc(cc3)C(F)(F)F)cc2)N1)c1ccccc1 |r| Show InChI InChI=1S/C34H30F3N3O3S2/c35-34(36,37)26-12-8-23(9-13-26)31-21-44-33(39-31)25-10-17-29(18-11-25)45(42,43)40-27-14-6-22(7-15-27)20-28-16-19-30(38-28)32(41)24-4-2-1-3-5-24/h1-15,17-18,21,28,30,32,38,40-41H,16,19-20H2/t28?,30-,32+/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 | 3.53E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Agonist activity at human beta2 adrenergic receptor |
Bioorg Med Chem Lett 21: 1865-70 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.087
BindingDB Entry DOI: 10.7270/Q27081R3 |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50338816
(CHEMBL1684580 | N-(4-(((5S)-5-((S)-hydroxy(phenyl)...)Show SMILES O[C@H]([C@@H]1CCC(Cc2ccc(NS(=O)(=O)c3ccc(cc3)-c3nc(cs3)-c3ccc(cc3)C(F)(F)F)cc2)N1)c1ccccc1 |r| Show InChI InChI=1S/C34H30F3N3O3S2/c35-34(36,37)26-12-8-23(9-13-26)31-21-44-33(39-31)25-10-17-29(18-11-25)45(42,43)40-27-14-6-22(7-15-27)20-28-16-19-30(38-28)32(41)24-4-2-1-3-5-24/h1-15,17-18,21,28,30,32,38,40-41H,16,19-20H2/t28?,30-,32-/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 | 3.53E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Agonist activity at human beta2 adrenergic receptor |
Bioorg Med Chem Lett 21: 1865-70 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.087
BindingDB Entry DOI: 10.7270/Q27081R3 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50338821
(2-(2-aminothiazol-4-yl)-N-(4-(((2S,5R)-5-((R)-hydr...)Show SMILES Nc1nc(CC(=O)Nc2ccc(C[C@@H]3CC[C@@H](N3)[C@H](O)c3ccccc3)cc2)cs1 |r| Show InChI InChI=1S/C23H26N4O2S/c24-23-27-19(14-30-23)13-21(28)26-17-8-6-15(7-9-17)12-18-10-11-20(25-18)22(29)16-4-2-1-3-5-16/h1-9,14,18,20,22,25,29H,10-13H2,(H2,24,27)(H,26,28)/t18-,20+,22+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 1.12E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 21: 1865-70 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.087
BindingDB Entry DOI: 10.7270/Q27081R3 |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50338821
(2-(2-aminothiazol-4-yl)-N-(4-(((2S,5R)-5-((R)-hydr...)Show SMILES Nc1nc(CC(=O)Nc2ccc(C[C@@H]3CC[C@@H](N3)[C@H](O)c3ccccc3)cc2)cs1 |r| Show InChI InChI=1S/C23H26N4O2S/c24-23-27-19(14-30-23)13-21(28)26-17-8-6-15(7-9-17)12-18-10-11-20(25-18)22(29)16-4-2-1-3-5-16/h1-9,14,18,20,22,25,29H,10-13H2,(H2,24,27)(H,26,28)/t18-,20+,22+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Agonist activity at human beta1 adrenergic receptor |
Bioorg Med Chem Lett 21: 1865-70 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.087
BindingDB Entry DOI: 10.7270/Q27081R3 |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50338821
(2-(2-aminothiazol-4-yl)-N-(4-(((2S,5R)-5-((R)-hydr...)Show SMILES Nc1nc(CC(=O)Nc2ccc(C[C@@H]3CC[C@@H](N3)[C@H](O)c3ccccc3)cc2)cs1 |r| Show InChI InChI=1S/C23H26N4O2S/c24-23-27-19(14-30-23)13-21(28)26-17-8-6-15(7-9-17)12-18-10-11-20(25-18)22(29)16-4-2-1-3-5-16/h1-9,14,18,20,22,25,29H,10-13H2,(H2,24,27)(H,26,28)/t18-,20+,22+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Agonist activity at human beta2 adrenergic receptor |
Bioorg Med Chem Lett 21: 1865-70 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.087
BindingDB Entry DOI: 10.7270/Q27081R3 |
More data for this
Ligand-Target Pair | |
Beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM50338816
(CHEMBL1684580 | N-(4-(((5S)-5-((S)-hydroxy(phenyl)...)Show SMILES O[C@H]([C@@H]1CCC(Cc2ccc(NS(=O)(=O)c3ccc(cc3)-c3nc(cs3)-c3ccc(cc3)C(F)(F)F)cc2)N1)c1ccccc1 |r| Show InChI InChI=1S/C34H30F3N3O3S2/c35-34(36,37)26-12-8-23(9-13-26)31-21-44-33(39-31)25-10-17-29(18-11-25)45(42,43)40-27-14-6-22(7-15-27)20-28-16-19-30(38-28)32(41)24-4-2-1-3-5-24/h1-15,17-18,21,28,30,32,38,40-41H,16,19-20H2/t28?,30-,32-/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 | 2.03E+3 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Agonist activity at human beta3 adrenergic receptor |
Bioorg Med Chem Lett 21: 1865-70 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.087
BindingDB Entry DOI: 10.7270/Q27081R3 |
More data for this
Ligand-Target Pair | |
Beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM50338818
(CHEMBL1684582 | N-(4-(((5R)-5-((S)-hydroxy(phenyl)...)Show SMILES O[C@H]([C@H]1CCC(Cc2ccc(NS(=O)(=O)c3ccc(cc3)-c3nc(cs3)-c3ccc(cc3)C(F)(F)F)cc2)N1)c1ccccc1 |r| Show InChI InChI=1S/C34H30F3N3O3S2/c35-34(36,37)26-12-8-23(9-13-26)31-21-44-33(39-31)25-10-17-29(18-11-25)45(42,43)40-27-14-6-22(7-15-27)20-28-16-19-30(38-28)32(41)24-4-2-1-3-5-24/h1-15,17-18,21,28,30,32,38,40-41H,16,19-20H2/t28?,30-,32+/m1/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 | 1.31E+3 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Agonist activity at human beta3 adrenergic receptor |
Bioorg Med Chem Lett 21: 1865-70 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.087
BindingDB Entry DOI: 10.7270/Q27081R3 |
More data for this
Ligand-Target Pair | |
Beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM50338819
(CHEMBL1684583 | cis-N-(4-(((2S,5R)-5-((R)-hydroxy(...)Show SMILES O[C@@H]([C@H]1CC[C@@H](Cc2ccc(NS(=O)(=O)c3ccc(cc3)-c3nc(cs3)-c3ccc(cc3)C(F)(F)F)cc2)N1)c1ccccc1 |r| Show InChI InChI=1S/C34H30F3N3O3S2/c35-34(36,37)26-12-8-23(9-13-26)31-21-44-33(39-31)25-10-17-29(18-11-25)45(42,43)40-27-14-6-22(7-15-27)20-28-16-19-30(38-28)32(41)24-4-2-1-3-5-24/h1-15,17-18,21,28,30,32,38,40-41H,16,19-20H2/t28-,30+,32+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 4.10 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Agonist activity at human beta3 adrenergic receptor |
Bioorg Med Chem Lett 21: 1865-70 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.087
BindingDB Entry DOI: 10.7270/Q27081R3 |
More data for this
Ligand-Target Pair | |
Beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM50338815
(CHEMBL1684577 | N-(4-(((5R)-5-((R)-hydroxy(phenyl)...)Show SMILES O[C@@H]([C@H]1CCC(Cc2ccc(NS(=O)(=O)c3ccc(cc3)-c3nc(cs3)-c3ccc(cc3)C(F)(F)F)cc2)N1)c1ccccc1 |r| Show InChI InChI=1S/C34H30F3N3O3S2/c35-34(36,37)26-12-8-23(9-13-26)31-21-44-33(39-31)25-10-17-29(18-11-25)45(42,43)40-27-14-6-22(7-15-27)20-28-16-19-30(38-28)32(41)24-4-2-1-3-5-24/h1-15,17-18,21,28,30,32,38,40-41H,16,19-20H2/t28?,30-,32-/m1/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 | 15 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Agonist activity at human beta3 adrenergic receptor |
Bioorg Med Chem Lett 21: 1865-70 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.087
BindingDB Entry DOI: 10.7270/Q27081R3 |
More data for this
Ligand-Target Pair | |
Beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM50338814
((R)-N-(4-(2-(2-hydroxy-2-phenylethylamino)ethyl)ph...)Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(cs2)-c2ccc(cc2)C(F)(F)F)cc1)c1ccccc1 |r| Show InChI InChI=1S/C32H28F3N3O3S2/c33-32(34,35)26-12-8-23(9-13-26)29-21-42-31(37-29)25-10-16-28(17-11-25)43(40,41)38-27-14-6-22(7-15-27)18-19-36-20-30(39)24-4-2-1-3-5-24/h1-17,21,30,36,38-39H,18-20H2/t30-/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 | 11 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Agonist activity at human beta3 adrenergic receptor |
Bioorg Med Chem Lett 21: 1865-70 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.087
BindingDB Entry DOI: 10.7270/Q27081R3 |
More data for this
Ligand-Target Pair | |
Beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM50338820
(CHEMBL1684584 | trans-N-(4-(((2S,5R)-5-((R)-hydrox...)Show SMILES O[C@@H]([C@H]1CC[C@H](Cc2ccc(NS(=O)(=O)c3ccc(cc3)-c3nc(cs3)-c3ccc(cc3)C(F)(F)F)cc2)N1)c1ccccc1 |r| Show InChI InChI=1S/C34H30F3N3O3S2/c35-34(36,37)26-12-8-23(9-13-26)31-21-44-33(39-31)25-10-17-29(18-11-25)45(42,43)40-27-14-6-22(7-15-27)20-28-16-19-30(38-28)32(41)24-4-2-1-3-5-24/h1-15,17-18,21,28,30,32,38,40-41H,16,19-20H2/t28-,30-,32-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 8.30 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Agonist activity at human beta3 adrenergic receptor |
Bioorg Med Chem Lett 21: 1865-70 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.087
BindingDB Entry DOI: 10.7270/Q27081R3 |
More data for this
Ligand-Target Pair | |
Beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM50338821
(2-(2-aminothiazol-4-yl)-N-(4-(((2S,5R)-5-((R)-hydr...)Show SMILES Nc1nc(CC(=O)Nc2ccc(C[C@@H]3CC[C@@H](N3)[C@H](O)c3ccccc3)cc2)cs1 |r| Show InChI InChI=1S/C23H26N4O2S/c24-23-27-19(14-30-23)13-21(28)26-17-8-6-15(7-9-17)12-18-10-11-20(25-18)22(29)16-4-2-1-3-5-16/h1-9,14,18,20,22,25,29H,10-13H2,(H2,24,27)(H,26,28)/t18-,20+,22+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.980 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Agonist activity at human beta3 adrenergic receptor |
Bioorg Med Chem Lett 21: 1865-70 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.087
BindingDB Entry DOI: 10.7270/Q27081R3 |
More data for this
Ligand-Target Pair | |
Beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM50338817
(CHEMBL1684581 | N-(4-(((5S)-5-((R)-hydroxy(phenyl)...)Show SMILES O[C@@H]([C@@H]1CCC(Cc2ccc(NS(=O)(=O)c3ccc(cc3)-c3nc(cs3)-c3ccc(cc3)C(F)(F)F)cc2)N1)c1ccccc1 |r| Show InChI InChI=1S/C34H30F3N3O3S2/c35-34(36,37)26-12-8-23(9-13-26)31-21-44-33(39-31)25-10-17-29(18-11-25)45(42,43)40-27-14-6-22(7-15-27)20-28-16-19-30(38-28)32(41)24-4-2-1-3-5-24/h1-15,17-18,21,28,30,32,38,40-41H,16,19-20H2/t28?,30-,32+/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 | 81 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Agonist activity at human beta3 adrenergic receptor |
Bioorg Med Chem Lett 21: 1865-70 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.087
BindingDB Entry DOI: 10.7270/Q27081R3 |
More data for this
Ligand-Target Pair | |
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