Found 28 hits Enz. Inhib. hit(s) with all data for entry = 50042144 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)) | BDBM50421329
(CHEMBL2088201)Show SMILES CCc1cc2CC(C)(Cc2cc1CC)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C25H30N2O3/c1-4-15-10-17-12-25(3,13-18(17)11-16(15)5-2)26-14-22(29)19-6-8-21(28)24-20(19)7-9-23(30)27-24/h6-11,22,26,28-29H,4-5,12-14H2,1-3H3,(H,27,30)/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
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Binding affinity to human beta2-adrenoceptor by radioligand binding assay |
Bioorg Med Chem Lett 22: 6280-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.096
BindingDB Entry DOI: 10.7270/Q2G73G09 |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50421329
(CHEMBL2088201)Show SMILES CCc1cc2CC(C)(Cc2cc1CC)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C25H30N2O3/c1-4-15-10-17-12-25(3,13-18(17)11-16(15)5-2)26-14-22(29)19-6-8-21(28)24-20(19)7-9-23(30)27-24/h6-11,22,26,28-29H,4-5,12-14H2,1-3H3,(H,27,30)/t22-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Binding affinity to human beta1-adrenoceptor by radioligand binding assay |
Bioorg Med Chem Lett 22: 6280-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.096
BindingDB Entry DOI: 10.7270/Q2G73G09 |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50128690
(4-Hydroxy-7-{2-[2-(3-phenethyloxy-propane-1-sulfon...)Show SMILES Oc1ccc(CCNCCS(=O)(=O)CCCOCCc2ccccc2)c2sc(=O)[nH]c12 Show InChI InChI=1S/C22H28N2O5S2/c25-19-8-7-18(21-20(19)24-22(26)30-21)9-11-23-12-16-31(27,28)15-4-13-29-14-10-17-5-2-1-3-6-17/h1-3,5-8,23,25H,4,9-16H2,(H,24,26) | PDB
MMDB
Reactome pathway
KEGG
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| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Binding affinity to human beta2-adrenoceptor by radioligand binding assay |
Bioorg Med Chem Lett 22: 6280-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.096
BindingDB Entry DOI: 10.7270/Q2G73G09 |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50318159
(8-Hydroxy-5-[(R)-1-hydroxy-2-(5,6-diethylindan-2-y...)Show SMILES CCc1cc2CC(Cc2cc1CC)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C24H28N2O3/c1-3-14-9-16-11-18(12-17(16)10-15(14)4-2)25-13-22(28)19-5-7-21(27)24-20(19)6-8-23(29)26-24/h5-10,18,22,25,27-28H,3-4,11-13H2,1-2H3,(H,26,29)/t22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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B.MOAD
DrugBank
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GoogleScholar
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| Purchase
CHEMBL
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MCE
PC cid
PC sid
UniChem
Patents
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| DrugBank
Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Binding affinity to human beta2-adrenoceptor by radioligand binding assay |
Bioorg Med Chem Lett 22: 6280-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.096
BindingDB Entry DOI: 10.7270/Q2G73G09 |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50421327
(CHEMBL2088199)Show SMILES CCCCc1ccc2CC(Cc2c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C24H28N2O3/c1-2-3-4-15-5-6-16-12-18(13-17(16)11-15)25-14-22(28)19-7-9-21(27)24-20(19)8-10-23(29)26-24/h5-11,18,22,25,27-28H,2-4,12-14H2,1H3,(H,26,29)/t18?,22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Binding affinity to human beta2-adrenoceptor by radioligand binding assay |
Bioorg Med Chem Lett 22: 6280-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.096
BindingDB Entry DOI: 10.7270/Q2G73G09 |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50421325
(CHEMBL2088197)Show SMILES CCc1cc2CC(Cc2cc1CC)NC[C@H](O)c1ccc(O)c2NC(=O)CCc12 |r| Show InChI InChI=1S/C24H30N2O3/c1-3-14-9-16-11-18(12-17(16)10-15(14)4-2)25-13-22(28)19-5-7-21(27)24-20(19)6-8-23(29)26-24/h5,7,9-10,18,22,25,27-28H,3-4,6,8,11-13H2,1-2H3,(H,26,29)/t22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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antibodypedia
GoogleScholar
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Binding affinity to human beta2-adrenoceptor by radioligand binding assay |
Bioorg Med Chem Lett 22: 6280-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.096
BindingDB Entry DOI: 10.7270/Q2G73G09 |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50421330
(CHEMBL2088202)Show SMILES CCC1=C(CC)CC2=C(CC(C2)NC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)C1 |r,c:2,t:7| Show InChI InChI=1S/C24H30N2O3/c1-3-14-9-16-11-18(12-17(16)10-15(14)4-2)25-13-22(28)19-5-7-21(27)24-20(19)6-8-23(29)26-24/h5-8,18,22,25,27-28H,3-4,9-13H2,1-2H3,(H,26,29)/t22-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 77 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Binding affinity to human beta2-adrenoceptor by radioligand binding assay |
Bioorg Med Chem Lett 22: 6280-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.096
BindingDB Entry DOI: 10.7270/Q2G73G09 |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50421330
(CHEMBL2088202)Show SMILES CCC1=C(CC)CC2=C(CC(C2)NC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)C1 |r,c:2,t:7| Show InChI InChI=1S/C24H30N2O3/c1-3-14-9-16-11-18(12-17(16)10-15(14)4-2)25-13-22(28)19-5-7-21(27)24-20(19)6-8-23(29)26-24/h5-8,18,22,25,27-28H,3-4,9-13H2,1-2H3,(H,26,29)/t22-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 133 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Binding affinity to human beta1-adrenoceptor by radioligand binding assay |
Bioorg Med Chem Lett 22: 6280-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.096
BindingDB Entry DOI: 10.7270/Q2G73G09 |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50421328
(CHEMBL2088200)Show SMILES Cc1c2CC(Cc2c(C)c(C)c1C)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C24H28N2O3/c1-12-13(2)15(4)20-10-16(9-19(20)14(12)3)25-11-22(28)17-5-7-21(27)24-18(17)6-8-23(29)26-24/h5-8,16,22,25,27-28H,9-11H2,1-4H3,(H,26,29)/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
| 175 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Binding affinity to human beta2-adrenoceptor by radioligand binding assay |
Bioorg Med Chem Lett 22: 6280-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.096
BindingDB Entry DOI: 10.7270/Q2G73G09 |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50318159
(8-Hydroxy-5-[(R)-1-hydroxy-2-(5,6-diethylindan-2-y...)Show SMILES CCc1cc2CC(Cc2cc1CC)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C24H28N2O3/c1-3-14-9-16-11-18(12-17(16)10-15(14)4-2)25-13-22(28)19-5-7-21(27)24-20(19)6-8-23(29)26-24/h5-10,18,22,25,27-28H,3-4,11-13H2,1-2H3,(H,26,29)/t22-/m0/s1 | PDB
Reactome pathway
KEGG
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antibodypedia
GoogleScholar
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| Purchase
CHEMBL
DrugBank
MCE
PC cid
PC sid
UniChem
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| Article
PubMed
| 180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Binding affinity to human beta1-adrenoceptor by radioligand binding assay |
Bioorg Med Chem Lett 22: 6280-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.096
BindingDB Entry DOI: 10.7270/Q2G73G09 |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50421325
(CHEMBL2088197)Show SMILES CCc1cc2CC(Cc2cc1CC)NC[C@H](O)c1ccc(O)c2NC(=O)CCc12 |r| Show InChI InChI=1S/C24H30N2O3/c1-3-14-9-16-11-18(12-17(16)10-15(14)4-2)25-13-22(28)19-5-7-21(27)24-20(19)6-8-23(29)26-24/h5,7,9-10,18,22,25,27-28H,3-4,6,8,11-13H2,1-2H3,(H,26,29)/t22-/m0/s1 | PDB
Reactome pathway
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CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 183 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Binding affinity to human beta1-adrenoceptor by radioligand binding assay |
Bioorg Med Chem Lett 22: 6280-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.096
BindingDB Entry DOI: 10.7270/Q2G73G09 |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50421324
(CHEMBL2088196)Show SMILES CCc1cc2CC(Cc2cc1CC)NCC(O)c1ccc(O)c2[nH]c(=O)c(C)cc12 Show InChI InChI=1S/C25H30N2O3/c1-4-15-9-17-11-19(12-18(17)10-16(15)5-2)26-13-23(29)20-6-7-22(28)24-21(20)8-14(3)25(30)27-24/h6-10,19,23,26,28-29H,4-5,11-13H2,1-3H3,(H,27,30) | PDB
Reactome pathway
KEGG
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 227 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Binding affinity to human beta1-adrenoceptor by radioligand binding assay |
Bioorg Med Chem Lett 22: 6280-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.096
BindingDB Entry DOI: 10.7270/Q2G73G09 |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50421327
(CHEMBL2088199)Show SMILES CCCCc1ccc2CC(Cc2c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C24H28N2O3/c1-2-3-4-15-5-6-16-12-18(13-17(16)11-15)25-14-22(28)19-7-9-21(27)24-20(19)8-10-23(29)26-24/h5-11,18,22,25,27-28H,2-4,12-14H2,1H3,(H,26,29)/t18?,22-/m0/s1 | PDB
Reactome pathway
KEGG
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 259 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Binding affinity to human beta1-adrenoceptor by radioligand binding assay |
Bioorg Med Chem Lett 22: 6280-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.096
BindingDB Entry DOI: 10.7270/Q2G73G09 |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50421326
(CHEMBL2088198)Show SMILES CCc1cc2CC(Cc2cc1CC)NCCc1ccc(O)c2[nH]c(=O)ccc12 Show InChI InChI=1S/C24H28N2O2/c1-3-15-11-18-13-20(14-19(18)12-16(15)4-2)25-10-9-17-5-7-22(27)24-21(17)6-8-23(28)26-24/h5-8,11-12,20,25,27H,3-4,9-10,13-14H2,1-2H3,(H,26,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 261 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Binding affinity to human beta2-adrenoceptor by radioligand binding assay |
Bioorg Med Chem Lett 22: 6280-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.096
BindingDB Entry DOI: 10.7270/Q2G73G09 |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50421324
(CHEMBL2088196)Show SMILES CCc1cc2CC(Cc2cc1CC)NCC(O)c1ccc(O)c2[nH]c(=O)c(C)cc12 Show InChI InChI=1S/C25H30N2O3/c1-4-15-9-17-11-19(12-18(17)10-16(15)5-2)26-13-23(29)20-6-7-22(28)24-21(20)8-14(3)25(30)27-24/h6-10,19,23,26,28-29H,4-5,11-13H2,1-3H3,(H,27,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 382 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Binding affinity to human beta2-adrenoceptor by radioligand binding assay |
Bioorg Med Chem Lett 22: 6280-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.096
BindingDB Entry DOI: 10.7270/Q2G73G09 |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50421328
(CHEMBL2088200)Show SMILES Cc1c2CC(Cc2c(C)c(C)c1C)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C24H28N2O3/c1-12-13(2)15(4)20-10-16(9-19(20)14(12)3)25-11-22(28)17-5-7-21(27)24-18(17)6-8-23(29)26-24/h5-8,16,22,25,27-28H,9-11H2,1-4H3,(H,26,29)/t22-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 421 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Binding affinity to human beta1-adrenoceptor by radioligand binding assay |
Bioorg Med Chem Lett 22: 6280-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.096
BindingDB Entry DOI: 10.7270/Q2G73G09 |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50421326
(CHEMBL2088198)Show SMILES CCc1cc2CC(Cc2cc1CC)NCCc1ccc(O)c2[nH]c(=O)ccc12 Show InChI InChI=1S/C24H28N2O2/c1-3-15-11-18-13-20(14-19(18)12-16(15)4-2)25-10-9-17-5-7-22(27)24-21(17)6-8-23(28)26-24/h5-8,11-12,20,25,27H,3-4,9-10,13-14H2,1-2H3,(H,26,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 478 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Binding affinity to human beta1-adrenoceptor by radioligand binding assay |
Bioorg Med Chem Lett 22: 6280-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.096
BindingDB Entry DOI: 10.7270/Q2G73G09 |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50421323
(CHEMBL2088195)Show SMILES CCc1cc2CC(Cc2cc1CC)NCC(O)c1c(C)cc(O)c2[nH]c(=O)ccc12 Show InChI InChI=1S/C25H30N2O3/c1-4-15-9-17-11-19(12-18(17)10-16(15)5-2)26-13-22(29)24-14(3)8-21(28)25-20(24)6-7-23(30)27-25/h6-10,19,22,26,28-29H,4-5,11-13H2,1-3H3,(H,27,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 515 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Binding affinity to human beta2-adrenoceptor by radioligand binding assay |
Bioorg Med Chem Lett 22: 6280-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.096
BindingDB Entry DOI: 10.7270/Q2G73G09 |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50128690
(4-Hydroxy-7-{2-[2-(3-phenethyloxy-propane-1-sulfon...)Show SMILES Oc1ccc(CCNCCS(=O)(=O)CCCOCCc2ccccc2)c2sc(=O)[nH]c12 Show InChI InChI=1S/C22H28N2O5S2/c25-19-8-7-18(21-20(19)24-22(26)30-21)9-11-23-12-16-31(27,28)15-4-13-29-14-10-17-5-2-1-3-6-17/h1-3,5-8,23,25H,4,9-16H2,(H,24,26) | PDB
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| Article
PubMed
| 3.92E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Binding affinity to human beta1-adrenoceptor by radioligand binding assay |
Bioorg Med Chem Lett 22: 6280-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.096
BindingDB Entry DOI: 10.7270/Q2G73G09 |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50421323
(CHEMBL2088195)Show SMILES CCc1cc2CC(Cc2cc1CC)NCC(O)c1c(C)cc(O)c2[nH]c(=O)ccc12 Show InChI InChI=1S/C25H30N2O3/c1-4-15-9-17-11-19(12-18(17)10-16(15)5-2)26-13-22(29)24-14(3)8-21(28)25-20(24)6-7-23(30)27-25/h6-10,19,22,26,28-29H,4-5,11-13H2,1-3H3,(H,27,30) | PDB
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PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Binding affinity to human beta1-adrenoceptor by radioligand binding assay |
Bioorg Med Chem Lett 22: 6280-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.096
BindingDB Entry DOI: 10.7270/Q2G73G09 |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(GUINEA PIG) | BDBM50421325
(CHEMBL2088197)Show SMILES CCc1cc2CC(Cc2cc1CC)NC[C@H](O)c1ccc(O)c2NC(=O)CCc12 |r| Show InChI InChI=1S/C24H30N2O3/c1-3-14-9-16-11-18(12-17(16)10-15(14)4-2)25-13-22(28)19-5-7-21(27)24-20(19)6-8-23(29)26-24/h5,7,9-10,18,22,25,27-28H,3-4,6,8,11-13H2,1-2H3,(H,26,29)/t22-/m0/s1 | PDB
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| Article
PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Agonist activity at beta2-adrenoceptor in guinea-pig tracheal-strip assessed as inhibition of electrically-stimulated muscle contraction |
Bioorg Med Chem Lett 22: 6280-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.096
BindingDB Entry DOI: 10.7270/Q2G73G09 |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(GUINEA PIG) | BDBM50421326
(CHEMBL2088198)Show SMILES CCc1cc2CC(Cc2cc1CC)NCCc1ccc(O)c2[nH]c(=O)ccc12 Show InChI InChI=1S/C24H28N2O2/c1-3-15-11-18-13-20(14-19(18)12-16(15)4-2)25-10-9-17-5-7-22(27)24-21(17)6-8-23(28)26-24/h5-8,11-12,20,25,27H,3-4,9-10,13-14H2,1-2H3,(H,26,28) | PDB
MMDB
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B.MOAD
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Agonist activity at beta2-adrenoceptor in guinea-pig tracheal-strip assessed as inhibition of electrically-stimulated muscle contraction |
Bioorg Med Chem Lett 22: 6280-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.096
BindingDB Entry DOI: 10.7270/Q2G73G09 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50421326
(CHEMBL2088198)Show SMILES CCc1cc2CC(Cc2cc1CC)NCCc1ccc(O)c2[nH]c(=O)ccc12 Show InChI InChI=1S/C24H28N2O2/c1-3-15-11-18-13-20(14-19(18)12-16(15)4-2)25-10-9-17-5-7-22(27)24-21(17)6-8-23(28)26-24/h5-8,11-12,20,25,27H,3-4,9-10,13-14H2,1-2H3,(H,26,28) | PDB
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| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Agonist activity at human dopamine D2 receptor expressed in CHO cells assessed as increase in GTPgamma35S binding by scintillation proximity assay |
Bioorg Med Chem Lett 22: 6280-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.096
BindingDB Entry DOI: 10.7270/Q2G73G09 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50128690
(4-Hydroxy-7-{2-[2-(3-phenethyloxy-propane-1-sulfon...)Show SMILES Oc1ccc(CCNCCS(=O)(=O)CCCOCCc2ccccc2)c2sc(=O)[nH]c12 Show InChI InChI=1S/C22H28N2O5S2/c25-19-8-7-18(21-20(19)24-22(26)30-21)9-11-23-12-16-31(27,28)15-4-13-29-14-10-17-5-2-1-3-6-17/h1-3,5-8,23,25H,4,9-16H2,(H,24,26) | PDB
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| Article
PubMed
| n/a | n/a | n/a | n/a | 4.5 | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Agonist activity at human dopamine D2 receptor expressed in CHO cells assessed as increase in GTPgamma35S binding by scintillation proximity assay |
Bioorg Med Chem Lett 22: 6280-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.096
BindingDB Entry DOI: 10.7270/Q2G73G09 |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50421329
(CHEMBL2088201)Show SMILES CCc1cc2CC(C)(Cc2cc1CC)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C25H30N2O3/c1-4-15-10-17-12-25(3,13-18(17)11-16(15)5-2)26-14-22(29)19-6-8-21(28)24-20(19)7-9-23(30)27-24/h6-11,22,26,28-29H,4-5,12-14H2,1-3H3,(H,27,30)/t22-/m0/s1 | PDB
MMDB
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| CHEMBL
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| Article
PubMed
| n/a | n/a | n/a | n/a | 0.280 | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Agonist activity at beta2-adrenoceptor in human bronchial smooth-muscle cell by cAMP assay |
Bioorg Med Chem Lett 22: 6280-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.096
BindingDB Entry DOI: 10.7270/Q2G73G09 |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50421329
(CHEMBL2088201)Show SMILES CCc1cc2CC(C)(Cc2cc1CC)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C25H30N2O3/c1-4-15-10-17-12-25(3,13-18(17)11-16(15)5-2)26-14-22(29)19-6-8-21(28)24-20(19)7-9-23(30)27-24/h6-11,22,26,28-29H,4-5,12-14H2,1-3H3,(H,27,30)/t22-/m0/s1 | PDB
MMDB
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PC sid
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| Article
PubMed
| n/a | n/a | n/a | 0.260 | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Kinetic binding affinity to human beta2-adrenoceptor |
Bioorg Med Chem Lett 22: 6280-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.096
BindingDB Entry DOI: 10.7270/Q2G73G09 |
More data for this
Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50318159
(8-Hydroxy-5-[(R)-1-hydroxy-2-(5,6-diethylindan-2-y...)Show SMILES CCc1cc2CC(Cc2cc1CC)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C24H28N2O3/c1-3-14-9-16-11-18(12-17(16)10-15(14)4-2)25-13-22(28)19-5-7-21(27)24-20(19)6-8-23(29)26-24/h5-10,18,22,25,27-28H,3-4,11-13H2,1-2H3,(H,26,29)/t22-/m0/s1 | PDB
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| DrugBank
Article
PubMed
| n/a | n/a | n/a | n/a | 2.10 | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Agonist activity at beta2-adrenoceptor in human bronchial smooth-muscle cell by cAMP assay |
Bioorg Med Chem Lett 22: 6280-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.096
BindingDB Entry DOI: 10.7270/Q2G73G09 |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50318159
(8-Hydroxy-5-[(R)-1-hydroxy-2-(5,6-diethylindan-2-y...)Show SMILES CCc1cc2CC(Cc2cc1CC)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r| Show InChI InChI=1S/C24H28N2O3/c1-3-14-9-16-11-18(12-17(16)10-15(14)4-2)25-13-22(28)19-5-7-21(27)24-20(19)6-8-23(29)26-24/h5-10,18,22,25,27-28H,3-4,11-13H2,1-2H3,(H,26,29)/t22-/m0/s1 | PDB
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| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research
Curated by ChEMBL
| Assay Description
Agonist activity at human dopamine D2 receptor expressed in CHO cells assessed as increase in GTPgamma35S binding by scintillation proximity assay |
Bioorg Med Chem Lett 22: 6280-5 (2012)
Article DOI: 10.1016/j.bmcl.2012.07.096
BindingDB Entry DOI: 10.7270/Q2G73G09 |
More data for this
Ligand-Target Pair | |
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