Found 17 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-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50418831
(CHEMBL323776)Show SMILES CN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccccc1 Show InChI InChI=1S/C23H29N3O4S/c1-26(20(28)11-16-30-15-10-17-5-3-2-4-6-17)14-13-24-12-9-18-7-8-19(27)21-22(18)31-23(29)25-21/h2-8,24,27H,9-16H2,1H3,(H,25,29) | 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 |
AstraZeneca
Curated by ChEMBL
| Assay Description
Agonist activity at human adrenergic beta2 receptor expressed in H292 cells assessed as intracellular cAMP accumulation after 1 hr |
Bioorg Med Chem Lett 21: 4027-31 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.135
BindingDB Entry DOI: 10.7270/Q2RV0PXF |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM86453
(CAS_73573-87-2 | Formoterol | NSC_3083544)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) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| n/a | n/a | n/a | n/a | 0.501 | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Agonist activity at human adrenergic beta2 receptor expressed in H292 cells assessed as intracellular cAMP accumulation after 1 hr |
Bioorg Med Chem Lett 21: 4027-31 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.135
BindingDB Entry DOI: 10.7270/Q2RV0PXF |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM25769
(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxym...)Show InChI InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 200 | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Agonist activity at human adrenergic beta2 receptor expressed in H292 cells assessed as intracellular cAMP accumulation after 1 hr |
Bioorg Med Chem Lett 21: 4027-31 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.135
BindingDB Entry DOI: 10.7270/Q2RV0PXF |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50418836
(CHEMBL1800475)Show SMILES CCCCN(CCN(C)CCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccccc1 Show InChI InChI=1S/C27H37N3O4S/c1-3-4-15-30(24(32)14-20-34-19-13-21-8-6-5-7-9-21)18-17-29(2)16-12-22-10-11-23(31)25-26(22)35-27(33)28-25/h5-11,31H,3-4,12-20H2,1-2H3,(H,28,33) | 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 | 126 | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Agonist activity at human adrenergic beta2 receptor expressed in H292 cells assessed as intracellular cAMP accumulation after 1 hr |
Bioorg Med Chem Lett 21: 4027-31 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.135
BindingDB Entry DOI: 10.7270/Q2RV0PXF |
More data for this
Ligand-Target Pair | |
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 | 0.794 | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Agonist activity at human adrenergic beta2 receptor expressed in H292 cells assessed as intracellular cAMP accumulation after 1 hr |
Bioorg Med Chem Lett 21: 4027-31 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.135
BindingDB Entry DOI: 10.7270/Q2RV0PXF |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50418833
(CHEMBL1800473)Show SMILES COc1ccc(CCNCCN(C)C(=O)CCOCCc2ccccc2)c2sc(=O)[nH]c12 Show InChI InChI=1S/C24H31N3O4S/c1-27(21(28)12-17-31-16-11-18-6-4-3-5-7-18)15-14-25-13-10-19-8-9-20(30-2)22-23(19)32-24(29)26-22/h3-9,25H,10-17H2,1-2H3,(H,26,29) | 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 |
AstraZeneca
Curated by ChEMBL
| Assay Description
Agonist activity at human adrenergic beta2 receptor expressed in H292 cells assessed as intracellular cAMP accumulation after 1 hr |
Bioorg Med Chem Lett 21: 4027-31 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.135
BindingDB Entry DOI: 10.7270/Q2RV0PXF |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50418830
(CHEMBL111775)Show SMILES Oc1ccc(CCNCCNC(=O)CCOCCc2ccccc2)c2sc(=O)[nH]c12 Show InChI InChI=1S/C22H27N3O4S/c26-18-7-6-17(21-20(18)25-22(28)30-21)8-11-23-12-13-24-19(27)10-15-29-14-9-16-4-2-1-3-5-16/h1-7,23,26H,8-15H2,(H,24,27)(H,25,28) | 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 | 1.60 | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Agonist activity at human adrenergic beta2 receptor expressed in H292 cells assessed as intracellular cAMP accumulation after 1 hr |
Bioorg Med Chem Lett 21: 4027-31 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.135
BindingDB Entry DOI: 10.7270/Q2RV0PXF |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50418838
(CHEMBL1800657)Show SMILES CCCN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccccc1 Show InChI InChI=1S/C25H33N3O4S/c1-2-15-28(22(30)12-18-32-17-11-19-6-4-3-5-7-19)16-14-26-13-10-20-8-9-21(29)23-24(20)33-25(31)27-23/h3-9,26,29H,2,10-18H2,1H3,(H,27,31) | 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 | 7.90 | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Agonist activity at human adrenergic beta2 receptor expressed in H292 cells assessed as intracellular cAMP accumulation after 1 hr |
Bioorg Med Chem Lett 21: 4027-31 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.135
BindingDB Entry DOI: 10.7270/Q2RV0PXF |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50418840
(CHEMBL1800659)Show SMILES CCCCN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccccc1 Show InChI InChI=1S/C26H35N3O4S/c1-2-3-16-29(23(31)13-19-33-18-12-20-7-5-4-6-8-20)17-15-27-14-11-21-9-10-22(30)24-25(21)34-26(32)28-24/h4-10,27,30H,2-3,11-19H2,1H3,(H,28,32) | 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 | 1.60 | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Agonist activity at human adrenergic beta2 receptor expressed in H292 cells assessed as intracellular cAMP accumulation after 1 hr |
Bioorg Med Chem Lett 21: 4027-31 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.135
BindingDB Entry DOI: 10.7270/Q2RV0PXF |
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 |
AstraZeneca
Curated by ChEMBL
| Assay Description
Agonist activity at human adrenergic beta2 receptor expressed in H292 cells assessed as intracellular cAMP accumulation after 1 hr |
Bioorg Med Chem Lett 21: 4027-31 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.135
BindingDB Entry DOI: 10.7270/Q2RV0PXF |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50418835
(CHEMBL1800474)Show SMILES CC(C)(CNCCc1ccc(O)c2[nH]c(=O)sc12)NC(=O)CCOCCc1ccccc1 Show InChI InChI=1S/C24H31N3O4S/c1-24(2,27-20(29)12-15-31-14-11-17-6-4-3-5-7-17)16-25-13-10-18-8-9-19(28)21-22(18)32-23(30)26-21/h3-9,25,28H,10-16H2,1-2H3,(H,26,30)(H,27,29) | 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 | 7.90 | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Agonist activity at human adrenergic beta2 receptor expressed in H292 cells assessed as intracellular cAMP accumulation after 1 hr |
Bioorg Med Chem Lett 21: 4027-31 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.135
BindingDB Entry DOI: 10.7270/Q2RV0PXF |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM25770
(5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-...)Show InChI InChI=1S/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| n/a | n/a | n/a | n/a | 3.16E+3 | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Agonist activity at human adrenergic beta2 receptor expressed in H292 cells assessed as intracellular cAMP accumulation after 1 hr |
Bioorg Med Chem Lett 21: 4027-31 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.135
BindingDB Entry DOI: 10.7270/Q2RV0PXF |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50418837
(CHEMBL1800656)Show SMILES CCN(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccccc1 Show InChI InChI=1S/C24H31N3O4S/c1-2-27(21(29)12-17-31-16-11-18-6-4-3-5-7-18)15-14-25-13-10-19-8-9-20(28)22-23(19)32-24(30)26-22/h3-9,25,28H,2,10-17H2,1H3,(H,26,30) | 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 |
AstraZeneca
Curated by ChEMBL
| Assay Description
Agonist activity at human adrenergic beta2 receptor expressed in H292 cells assessed as intracellular cAMP accumulation after 1 hr |
Bioorg Med Chem Lett 21: 4027-31 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.135
BindingDB Entry DOI: 10.7270/Q2RV0PXF |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50418834
(CHEMBL111732)Show SMILES CN(CCN(C)C(=O)CCOCCc1ccccc1)CCc1ccc(O)c2[nH]c(=O)sc12 Show InChI InChI=1S/C24H31N3O4S/c1-26(13-10-19-8-9-20(28)22-23(19)32-24(30)25-22)14-15-27(2)21(29)12-17-31-16-11-18-6-4-3-5-7-18/h3-9,28H,10-17H2,1-2H3,(H,25,30) | 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 |
AstraZeneca
Curated by ChEMBL
| Assay Description
Agonist activity at human adrenergic beta2 receptor expressed in H292 cells assessed as intracellular cAMP accumulation after 1 hr |
Bioorg Med Chem Lett 21: 4027-31 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.135
BindingDB Entry DOI: 10.7270/Q2RV0PXF |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50418832
(CHEMBL1800472)Show SMILES CN(CCNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccccc1 |r| Show InChI InChI=1S/C23H29N3O5S/c1-26(20(29)10-14-31-13-9-16-5-3-2-4-6-16)12-11-24-15-19(28)17-7-8-18(27)21-22(17)32-23(30)25-21/h2-8,19,24,27-28H,9-15H2,1H3,(H,25,30)/t19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Agonist activity at human adrenergic beta2 receptor expressed in H292 cells assessed as intracellular cAMP accumulation after 1 hr |
Bioorg Med Chem Lett 21: 4027-31 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.135
BindingDB Entry DOI: 10.7270/Q2RV0PXF |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50418839
(CHEMBL1800658)Show SMILES CC(C)N(CCNCCc1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccccc1 Show InChI InChI=1S/C25H33N3O4S/c1-18(2)28(22(30)12-17-32-16-11-19-6-4-3-5-7-19)15-14-26-13-10-20-8-9-21(29)23-24(20)33-25(31)27-23/h3-9,18,26,29H,10-17H2,1-2H3,(H,27,31) | 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 | 7.90 | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Agonist activity at human adrenergic beta2 receptor expressed in H292 cells assessed as intracellular cAMP accumulation after 1 hr |
Bioorg Med Chem Lett 21: 4027-31 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.135
BindingDB Entry DOI: 10.7270/Q2RV0PXF |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50418841
(CHEMBL1800660)Show SMILES CCCCN(CCNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)C(=O)CCOCCc1ccccc1 |r| Show InChI InChI=1S/C26H35N3O5S/c1-2-3-14-29(23(32)12-17-34-16-11-19-7-5-4-6-8-19)15-13-27-18-22(31)20-9-10-21(30)24-25(20)35-26(33)28-24/h4-10,22,27,30-31H,2-3,11-18H2,1H3,(H,28,33)/t22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 0.794 | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Agonist activity at human adrenergic beta2 receptor expressed in H292 cells assessed as intracellular cAMP accumulation after 1 hr |
Bioorg Med Chem Lett 21: 4027-31 (2011)
Article DOI: 10.1016/j.bmcl.2011.04.135
BindingDB Entry DOI: 10.7270/Q2RV0PXF |
More data for this
Ligand-Target Pair | |
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