Found 782 hits of ki data for polymerid = 2888,49000244,49000246,5366 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)) | BDBM25761
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank Article PubMed
| 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research Foundation
Curated by PDSP Ki Database
| |
Psychopharmacology (Berl) 124: 57-73 (1996)
Article DOI: 10.1007/bf02245606 BindingDB Entry DOI: 10.7270/Q2610XV6 |
More data for this Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50379086
(CHEMBL2012521 | CHEMBL2012522 | LY-377604)Show SMILES CC(C)(Cc1ccc(Oc2ccc(cn2)C(N)=O)cc1)NC[C@H](O)COc1cccc2[nH]c3ccccc3c12 |r| Show InChI InChI=1S/C31H32N4O4/c1-31(2,16-20-10-13-23(14-11-20)39-28-15-12-21(17-33-28)30(32)37)34-18-22(36)19-38-27-9-5-8-26-29(27)24-6-3-4-7-25(24)35-26/h3-15,17,22,34-36H,16,18-19H2,1-2H3,(H2,32,37)/t22-/m0/s1 | PDB
Reactome pathway KEGG
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| Article PubMed
| 0.0230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Displacement of [125I]Iodocyanopindolol from human adrenergic beta1 receptor expressed in insect sf9 cells by scintillation counting |
ACS Med Chem Lett 2: 583-586 (2011)
Article DOI: 10.1021/ml200071k BindingDB Entry DOI: 10.7270/Q20R9QDP |
More data for this Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50318983
(2-((1-(3-(9H-carbazol-4-yloxy)-2-hydroxypropyl)pip...)Show SMILES COc1cc2C(=O)N(CC3CCN(CC(O)COc4cccc5[nH]c6ccccc6c45)CC3)C(=O)c3cccc(c1)c23 Show InChI InChI=1S/C34H33N3O5/c1-41-24-16-22-6-4-8-26-31(22)27(17-24)34(40)37(33(26)39)18-21-12-14-36(15-13-21)19-23(38)20-42-30-11-5-10-29-32(30)25-7-2-3-9-28(25)35-29/h2-11,16-17,21,23,35,38H,12-15,18-20H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
4SC AG
Curated by ChEMBL
| Assay Description Antagonist activity at human adrenergic beta-1 receptor expressed in CHOK1 cells assessed as inhibition of cAMP accumulation by HTRF assay |
Bioorg Med Chem Lett 20: 3399-404 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.009 BindingDB Entry DOI: 10.7270/Q2D21XSW |
More data for this Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM85818
(Fluorocarazolol,(R) | Fluorocarazolol,(S))Show InChI InChI=1S/C18H21FN2O2/c1-12(9-19)20-10-13(22)11-23-17-8-4-7-16-18(17)14-5-2-3-6-15(14)21-16/h2-8,12-13,20-22H,9-11H2,1H3 | PDB
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| PC cid PC sid UniChem
Similars
| Article PubMed
| 0.114 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Case Western Reserve University
Curated by PDSP Ki Database
| |
Psychopharmacology (Berl) 157: 111-4 (2001)
Article DOI: 10.1007/s002130100844 BindingDB Entry DOI: 10.7270/Q22V2DPJ |
More data for this Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM81885
(2-(3-tert-Butylamino-2-hydroxypropylthio)-4-(5-car...)Show InChI InChI=1S/C15H21N3O2S3/c1-15(2,3)17-6-9(19)7-21-14-18-10(8-22-14)11-4-5-12(23-11)13(16)20/h4-5,8-9,17,19H,6-7H2,1-3H3,(H2,16,20) | PDB
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| Article PubMed
| 0.180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Niigata College of Pharmacy
Curated by PDSP Ki Database
| |
Jpn J Pharmacol 52: 195-200 (1990)
Article DOI: 10.1254/jjp.52.195 BindingDB Entry DOI: 10.7270/Q2H41PXD |
More data for this Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50098668
(4-(3-tert-Butylamino-2-hydroxy-propoxy)-1,3-dihydr...)Show SMILES CC(C)(C)NC[C@H](O)COc1cccc2[nH]c(=O)[nH]c12 Show InChI InChI=1S/C14H21N3O3/c1-14(2,3)15-7-9(18)8-20-11-6-4-5-10-12(11)17-13(19)16-10/h4-6,9,15,18H,7-8H2,1-3H3,(H2,16,17,19)/t9-/m0/s1 | PDB
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| PubMed
| 0.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description Inhibition of I-iodocyanopindolol binding to human beta 1 adrenergic receptors |
J Med Chem 44: 1456-66 (2001)
BindingDB Entry DOI: 10.7270/Q2T72J53 |
More data for this Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM85818
(Fluorocarazolol,(R) | Fluorocarazolol,(S))Show InChI InChI=1S/C18H21FN2O2/c1-12(9-19)20-10-13(22)11-23-17-8-4-7-16-18(17)14-5-2-3-6-15(14)21-16/h2-8,12-13,20-22H,9-11H2,1H3 | PDB
Reactome pathway KEGG
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| PC cid PC sid UniChem
Similars
| Article PubMed
| 0.450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Case Western Reserve University
Curated by PDSP Ki Database
| |
Psychopharmacology (Berl) 157: 111-4 (2001)
Article DOI: 10.1007/s002130100844 BindingDB Entry DOI: 10.7270/Q22V2DPJ |
More data for this Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50019443
(1-(1H-Indol-4-yloxy)-3-isopropylamino-propan-2-ol ...)Show InChI InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3 | PDB
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| DrugBank Article PubMed
| 0.520 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity at human adrenergic beta1 receptor |
Bioorg Med Chem Lett 17: 5600-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.086 BindingDB Entry DOI: 10.7270/Q2FJ2GG0 |
More data for this Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM50019443
(1-(1H-Indol-4-yloxy)-3-isopropylamino-propan-2-ol ...)Show InChI InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3 | PDB
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| Article PubMed
| 0.660 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Niigata College of Pharmacy
Curated by PDSP Ki Database
| |
Jpn J Pharmacol 52: 195-200 (1990)
Article DOI: 10.1254/jjp.52.195 BindingDB Entry DOI: 10.7270/Q2H41PXD |
More data for this Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM25761
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3 | PDB
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| Article PubMed
| 0.690 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Niigata College of Pharmacy
Curated by PDSP Ki Database
| |
Jpn J Pharmacol 52: 195-200 (1990)
Article DOI: 10.1254/jjp.52.195 BindingDB Entry DOI: 10.7270/Q2H41PXD |
More data for this Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50055260
(CHEMBL3323658)Show SMILES O[C@@H](CN[C@@H]1CCC[C@@H]1CCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C22H26N2O3S/c25-18-12-11-16(21-20(18)24-22(27)28-21)19(26)13-23-17-8-4-7-15(17)10-9-14-5-2-1-3-6-14/h1-3,5-6,11-12,15,17,19,23,25-26H,4,7-10,13H2,(H,24,27)/t15-,17-,19+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.800 | 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 Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta1 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay |
Bioorg Med Chem Lett 24: 4341-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.06.014 BindingDB Entry DOI: 10.7270/Q2Z89F2R |
More data for this Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM25759
(CHEMBL723 | Carvedilol | Coreg | Dilatrend | Eucar...)Show SMILES COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12 Show InChI InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3 | PDB
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| Article PubMed
| 0.810 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rzeszów University of Technology
Curated by ChEMBL
| Assay Description Displacement of [3H]CGP12177 from beta1 adrenergic receptor in rat cerebral cortex by liquid scintillation method |
Eur J Med Chem 44: 809-17 (2009)
Article DOI: 10.1016/j.ejmech.2008.05.019 BindingDB Entry DOI: 10.7270/Q29Z94QJ |
More data for this Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50324854
(7-((R)-2-((1R,2R)-2-(benzyloxy)cyclopentylamino)-1...)Show SMILES O[C@@H](CN[C@@H]1CCC[C@H]1OCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C21H24N2O4S/c24-16-10-9-14(20-19(16)23-21(26)28-20)17(25)11-22-15-7-4-8-18(15)27-12-13-5-2-1-3-6-13/h1-3,5-6,9-10,15,17-18,22,24-25H,4,7-8,11-12H2,(H,23,26)/t15-,17+,18-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 0.900 | 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 Displacement of [3H]CGP12177 from human beta-1 adrenoceptor |
Bioorg Med Chem Lett 20: 5302-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.136 BindingDB Entry DOI: 10.7270/Q2HD7VVM |
More data for this Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50318987
(1-(9H-carbazol-4-yloxy)-3-(4-(pyridin-3-ylmethyl)p...)Show SMILES OC(COc1cccc2[nH]c3ccccc3c12)CN1CCC(Cc2cccnc2)CC1 Show InChI InChI=1S/C26H29N3O2/c30-21(17-29-13-10-19(11-14-29)15-20-5-4-12-27-16-20)18-31-25-9-3-8-24-26(25)22-6-1-2-7-23(22)28-24/h1-9,12,16,19,21,28,30H,10-11,13-15,17-18H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
4SC AG
Curated by ChEMBL
| Assay Description Antagonist activity at human adrenergic beta-1 receptor expressed in CHOK1 cells assessed as inhibition of cAMP accumulation by HTRF assay |
Bioorg Med Chem Lett 20: 3399-404 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.009 BindingDB Entry DOI: 10.7270/Q2D21XSW |
More data for this Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50518969
(CHEMBL4514723)Show SMILES CC(C)NC[C@H](O)COc1ccccc1CCCn1cc(CNCc2cn(CCCc3ccccc3OC[C@@H](O)CNC(C)C)nn2)nn1 |r| Show InChI InChI=1S/C36H55N9O4/c1-27(2)38-21-33(46)25-48-35-15-7-5-11-29(35)13-9-17-44-23-31(40-42-44)19-37-20-32-24-45(43-41-32)18-10-14-30-12-6-8-16-36(30)49-26-34(47)22-39-28(3)4/h5-8,11-12,15-16,23-24,27-28,33-34,37-39,46-47H,9-10,13-14,17-22,25-26H2,1-4H3/t33-,34-/m0/s1 | PDB
Reactome pathway KEGG
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| PC cid PC sid UniChem
| Article PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description Displacement of [3H]DHA from beta1 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla... |
J Med Chem 62: 7806-7839 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00595 BindingDB Entry DOI: 10.7270/Q2PG1W4K |
More data for this Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM25764
(ALPRENOLOL,(+) | ALPRENOLOL,(-) | Alfeprol | Alphe...)Show InChI InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3 | PDB
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| Article PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Italia
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 352: 276-82 (1995)
Article DOI: 10.1007/bf00168557 BindingDB Entry DOI: 10.7270/Q2Q52N48 |
More data for this Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM25746
(2-hydroxy-5-{2-[(2-hydroxy-3-{4-[1-methyl-4-(trifl...)Show SMILES Cn1cc(nc1-c1ccc(OCC(O)CNCCOc2ccc(O)c(c2)C(N)=O)cc1)C(F)(F)F Show InChI InChI=1S/C23H25F3N4O5/c1-30-12-20(23(24,25)26)29-22(30)14-2-4-16(5-3-14)35-13-15(31)11-28-8-9-34-17-6-7-19(32)18(10-17)21(27)33/h2-7,10,12,15,28,31-32H,8-9,11,13H2,1H3,(H2,27,33) | PDB
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| Article PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Friedrich-Alexander Universit£t Erlangen-N£rnberg
Curated by ChEMBL
| Assay Description Displacement of [3H]CGP12177 from human beta1 adrenoceptor expressed in HEK293T cell membranes |
Bioorg Med Chem 27: 2959-2971 (2019)
Article DOI: 10.1016/j.bmc.2019.05.034 BindingDB Entry DOI: 10.7270/Q2FB56CD |
More data for this Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50518968
(CHEMBL4441975)Show SMILES CC(C)NC[C@H](O)COc1ccccc1CCCCCCCCCCCCc1ccccc1OC[C@@H](O)CNC(C)C |r| Show InChI InChI=1S/C36H60N2O4/c1-29(2)37-25-33(39)27-41-35-23-17-15-21-31(35)19-13-11-9-7-5-6-8-10-12-14-20-32-22-16-18-24-36(32)42-28-34(40)26-38-30(3)4/h15-18,21-24,29-30,33-34,37-40H,5-14,19-20,25-28H2,1-4H3/t33-,34-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description Displacement of [3H]DHA from beta1 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla... |
J Med Chem 62: 7806-7839 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00595 BindingDB Entry DOI: 10.7270/Q2PG1W4K |
More data for this Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50518977
(CHEMBL1160734)Show InChI InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3/t14-/m0/s1 | PDB
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MCE PC cid PC sid UniChem
| Article PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description Displacement of [3H]DHA from beta1 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla... |
J Med Chem 62: 7806-7839 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00595 BindingDB Entry DOI: 10.7270/Q2PG1W4K |
More data for this Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50040072
(4-Chloro-benzene-1,3-disulfonic acid 3-amide 1-({2...)Show SMILES NS(=O)(=O)c1cc(ccc1Cl)S(=O)(=O)NCCNCC(O)COc1cccc2NC(=O)CCc12 Show InChI InChI=1S/C20H25ClN4O7S2/c21-16-6-4-14(10-19(16)33(22,28)29)34(30,31)24-9-8-23-11-13(26)12-32-18-3-1-2-17-15(18)5-7-20(27)25-17/h1-4,6,10,13,23-24,26H,5,7-9,11-12H2,(H,25,27)(H2,22,28,29) | PDB
Reactome pathway KEGG
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DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Perugia
Curated by ChEMBL
| Assay Description Inhibition of [3H]-Dihydroalprenolol binding to beta 1 adrenoceptor from turkey erythrocyte membranes. |
J Med Chem 36: 157-61 (1993)
BindingDB Entry DOI: 10.7270/Q2ZK5FQV |
More data for this Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50324851
(4-hydroxy-7-((R)-1-hydroxy-2-((R)-1-(naphthalen-2-...)Show SMILES C[C@@H](NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C21H20N2O3S/c1-12(14-7-6-13-4-2-3-5-15(13)10-14)22-11-18(25)16-8-9-17(24)19-20(16)27-21(26)23-19/h2-10,12,18,22,24-25H,11H2,1H3,(H,23,26)/t12-,18+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.40 | 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 Displacement of [3H]CGP12177 from human beta-1 adrenoceptor |
Bioorg Med Chem Lett 20: 5302-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.136 BindingDB Entry DOI: 10.7270/Q2HD7VVM |
More data for this Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM25761
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank Article PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Friedrich-Alexander Universit£t Erlangen-N£rnberg
Curated by ChEMBL
| Assay Description Displacement of [3H]CGP12177 from human beta1 adrenoceptor expressed in HEK293T cell membranes |
Bioorg Med Chem 27: 2959-2971 (2019)
Article DOI: 10.1016/j.bmc.2019.05.034 BindingDB Entry DOI: 10.7270/Q2FB56CD |
More data for this Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50324840
(7-((R)-2-((R)-1-cyclohexylethylamino)-1-hydroxyeth...)Show SMILES C[C@@H](NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)C1CCCCC1 |r| Show InChI InChI=1S/C17H24N2O3S/c1-10(11-5-3-2-4-6-11)18-9-14(21)12-7-8-13(20)15-16(12)23-17(22)19-15/h7-8,10-11,14,18,20-21H,2-6,9H2,1H3,(H,19,22)/t10-,14+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.5 | 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 Displacement of [3H]CGP12177 from human beta-1 adrenoceptor |
Bioorg Med Chem Lett 20: 5302-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.136 BindingDB Entry DOI: 10.7270/Q2HD7VVM |
More data for this Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM25759
(CHEMBL723 | Carvedilol | Coreg | Dilatrend | Eucar...)Show SMILES COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12 Show InChI InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank Article PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Würzburg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 369: 151-9 (2004)
Article DOI: 10.1007/s00210-003-0860-y BindingDB Entry DOI: 10.7270/Q2PZ57C6 |
More data for this Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50324837
((R)-7-(2-(2-(4-chlorophenylthio)ethylamino)-1-hydr...)Show SMILES O[C@@H](CNCCSc1ccc(Cl)cc1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C17H17ClN2O3S2/c18-10-1-3-11(4-2-10)24-8-7-19-9-14(22)12-5-6-13(21)15-16(12)25-17(23)20-15/h1-6,14,19,21-22H,7-9H2,(H,20,23)/t14-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.70 | 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 Displacement of [3H]CGP12177 from human beta-1 adrenoceptor |
Bioorg Med Chem Lett 20: 5302-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.136 BindingDB Entry DOI: 10.7270/Q2HD7VVM |
More data for this Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM25761
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank Article PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Würzburg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 369: 151-9 (2004)
Article DOI: 10.1007/s00210-003-0860-y BindingDB Entry DOI: 10.7270/Q2PZ57C6 |
More data for this Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50518979
(CHEMBL4434772)Show SMILES CC(C)NC[C@H](O)COc1ccccc1CCCCCCCCCCc1ccccc1OC[C@@H](O)CNC(C)C |r| Show InChI InChI=1S/C34H56N2O4/c1-27(2)35-23-31(37)25-39-33-21-15-13-19-29(33)17-11-9-7-5-6-8-10-12-18-30-20-14-16-22-34(30)40-26-32(38)24-36-28(3)4/h13-16,19-22,27-28,31-32,35-38H,5-12,17-18,23-26H2,1-4H3/t31-,32-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description Displacement of [3H]DHA from beta1 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla... |
J Med Chem 62: 7806-7839 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00595 BindingDB Entry DOI: 10.7270/Q2PG1W4K |
More data for this Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50324847
((R)-4-hydroxy-7-(1-hydroxy-2-(2-methyl-1-phenylpro...)Show SMILES CC(C)(Cc1ccccc1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C19H22N2O3S/c1-19(2,10-12-6-4-3-5-7-12)20-11-15(23)13-8-9-14(22)16-17(13)25-18(24)21-16/h3-9,15,20,22-23H,10-11H2,1-2H3,(H,21,24)/t15-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.80 | 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 Displacement of [3H]CGP12177 from human beta-1 adrenoceptor |
Bioorg Med Chem Lett 20: 5302-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.136 BindingDB Entry DOI: 10.7270/Q2HD7VVM |
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-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50040065
(5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihyd...)Show InChI InChI=1S/C16H24N2O3/c1-16(2,3)17-9-11(19)10-21-14-6-4-5-13-12(14)7-8-15(20)18-13/h4-6,11,17,19H,7-10H2,1-3H3,(H,18,20) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Perugia
Curated by ChEMBL
| Assay Description Inhibition of [3H]-Dihydroalprenolol binding to beta 1 adrenoceptor from turkey erythrocyte membranes. |
J Med Chem 36: 157-61 (1993)
BindingDB Entry DOI: 10.7270/Q2ZK5FQV |
More data for this Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50019443
(1-(1H-Indol-4-yloxy)-3-isopropylamino-propan-2-ol ...)Show InChI InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank PubMed
| 1.94 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ohio State University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 270: 665-74 (1994)
BindingDB Entry DOI: 10.7270/Q2RN36CJ |
More data for this Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM50267197
((2S)-1-(1H-Indol-4-yloxy)-3-{[2-(2-methoxyphenoxy)...)Show SMILES COc1ccccc1OCCNC[C@H](O)COc1cccc2[nH]ccc12 |r| Show InChI InChI=1S/C20H24N2O4/c1-24-19-6-2-3-7-20(19)25-12-11-21-13-15(23)14-26-18-8-4-5-17-16(18)9-10-22-17/h2-10,15,21-23H,11-14H2,1H3/t15-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rzeszów University of Technology
Curated by ChEMBL
| Assay Description Displacement of [3H]CGP12177 from beta1 adrenergic receptor in rat cerebral cortex by liquid scintillation method |
Eur J Med Chem 44: 809-17 (2009)
Article DOI: 10.1016/j.ejmech.2008.05.019 BindingDB Entry DOI: 10.7270/Q29Z94QJ |
More data for this Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50324846
((R)-4-hydroxy-7-(1-hydroxy-2-(3-phenylpropylamino)...)Show SMILES O[C@@H](CNCCCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C18H20N2O3S/c21-14-9-8-13(17-16(14)20-18(23)24-17)15(22)11-19-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,15,19,21-22H,4,7,10-11H2,(H,20,23)/t15-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2 | 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 Displacement of [3H]CGP12177 from human beta-1 adrenoceptor |
Bioorg Med Chem Lett 20: 5302-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.136 BindingDB Entry DOI: 10.7270/Q2HD7VVM |
More data for this Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM25761
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Perugia
Curated by ChEMBL
| Assay Description Inhibition of [3H]-Dihydroalprenolol binding to beta 1 adrenoceptor from turkey erythrocyte membranes. |
J Med Chem 36: 157-61 (1993)
BindingDB Entry DOI: 10.7270/Q2ZK5FQV |
More data for this Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50220910
((S)-1-(1H-indol-4-yloxy)-3-(cyclohexylamino)propan...)Show InChI InChI=1S/C17H24N2O2/c20-14(11-19-13-5-2-1-3-6-13)12-21-17-8-4-7-16-15(17)9-10-18-16/h4,7-10,13-14,18-20H,1-3,5-6,11-12H2/t14-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity at human adrenergic beta1 receptor |
Bioorg Med Chem Lett 17: 5600-4 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.086 BindingDB Entry DOI: 10.7270/Q2FJ2GG0 |
More data for this Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50019443
(1-(1H-Indol-4-yloxy)-3-isopropylamino-propan-2-ol ...)Show InChI InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank Article PubMed
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universität Würzburg
Curated by PDSP Ki Database
| |
Naunyn Schmiedebergs Arch Pharmacol 369: 151-9 (2004)
Article DOI: 10.1007/s00210-003-0860-y BindingDB Entry DOI: 10.7270/Q2PZ57C6 |
More data for this Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM25761
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank PubMed
| 2.69 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ohio State University
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 270: 665-74 (1994)
BindingDB Entry DOI: 10.7270/Q2RN36CJ |
More data for this Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM25764
(ALPRENOLOL,(+) | ALPRENOLOL,(-) | Alfeprol | Alphe...)Show InChI InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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| DrugBank Article PubMed
| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description Displacement of [3H]DHA from beta1 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla... |
J Med Chem 62: 7806-7839 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00595 BindingDB Entry DOI: 10.7270/Q2PG1W4K |
More data for this Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM81886
(CAS_3506-09-0 | CHEMBL287651 | PROPRANOLOL, dl)Show InChI InChI=1S/C17H23NO2/c1-13(2)10-18-11-15(19)12-20-17-9-5-7-14-6-3-4-8-16(14)17/h3-9,13,15,18-19H,10-12H2,1-2H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.82 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Niigata College of Pharmacy
Curated by PDSP Ki Database
| |
Jpn J Pharmacol 52: 195-200 (1990)
Article DOI: 10.1254/jjp.52.195 BindingDB Entry DOI: 10.7270/Q2H41PXD |
More data for this Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50518982
(CHEMBL4462252)Show SMILES CC(C)NC[C@H](O)COc1ccccc1CCn1cc(CNCc2cn(CCc3ccccc3OC[C@@H](O)CNC(C)C)nn2)nn1 |r| Show InChI InChI=1S/C34H51N9O4/c1-25(2)36-19-31(44)23-46-33-11-7-5-9-27(33)13-15-42-21-29(38-40-42)17-35-18-30-22-43(41-39-30)16-14-28-10-6-8-12-34(28)47-24-32(45)20-37-26(3)4/h5-12,21-22,25-26,31-32,35-37,44-45H,13-20,23-24H2,1-4H3/t31-,32-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description Displacement of [3H]DHA from beta1 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla... |
J Med Chem 62: 7806-7839 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00595 BindingDB Entry DOI: 10.7270/Q2PG1W4K |
More data for this Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM25761
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3 | PDB
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| | 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Medical University of Warsaw
| Assay Description Radioligand receptor binding studies were conducted in the rat brain. |
Medicinal Chemistry Research 17: 507-514 (2008)
BindingDB Entry DOI: 10.7270/Q2Z036S7 |
More data for this Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM50267196
((+/-)1-(1H-indol-4-yloxy)-3-(2-(2-methoxyphenoxy)e...)Show InChI InChI=1S/C20H24N2O4/c1-24-19-6-2-3-7-20(19)25-12-11-21-13-15(23)14-26-18-8-4-5-17-16(18)9-10-22-17/h2-10,15,21-23H,11-14H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rzeszów University of Technology
Curated by ChEMBL
| Assay Description Displacement of [3H]CGP12177 from beta1 adrenergic receptor in rat cerebral cortex by liquid scintillation method |
Eur J Med Chem 44: 809-17 (2009)
Article DOI: 10.1016/j.ejmech.2008.05.019 BindingDB Entry DOI: 10.7270/Q29Z94QJ |
More data for this Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50318986
(1-(9H-carbazol-4-yloxy)-3-(4-(4-methoxybenzyl)pipe...)Show SMILES COc1ccc(CC2CCN(CC(O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1 Show InChI InChI=1S/C28H32N2O3/c1-32-23-11-9-20(10-12-23)17-21-13-15-30(16-14-21)18-22(31)19-33-27-8-4-7-26-28(27)24-5-2-3-6-25(24)29-26/h2-12,21-22,29,31H,13-19H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
4SC AG
Curated by ChEMBL
| Assay Description Antagonist activity at human adrenergic beta-1 receptor expressed in CHOK1 cells assessed as inhibition of cAMP accumulation by HTRF assay |
Bioorg Med Chem Lett 20: 3399-404 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.009 BindingDB Entry DOI: 10.7270/Q2D21XSW |
More data for this Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50324844
((R)-4-hydroxy-7-(1-hydroxy-2-(phenethylamino)ethyl...)Show SMILES O[C@@H](CNCCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C17H18N2O3S/c20-13-7-6-12(16-15(13)19-17(22)23-16)14(21)10-18-9-8-11-4-2-1-3-5-11/h1-7,14,18,20-21H,8-10H2,(H,19,22)/t14-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.80 | 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 Displacement of [3H]CGP12177 from human beta-1 adrenoceptor |
Bioorg Med Chem Lett 20: 5302-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.136 BindingDB Entry DOI: 10.7270/Q2HD7VVM |
More data for this Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50099151
(CHEMBL177442 | N'-[5-(4-{4-[(S)-2-Hydroxy-3-(2-oxo...)Show SMILES CN(C)C(=N)NC1=NC(=O)C(S1)=Cc1ccc(cc1)N1CCC(CC1)NC[C@H](O)COc1cccc2[nH]c(=O)[nH]c12 |w:12.13,t:6| Show InChI InChI=1S/C28H34N8O4S/c1-35(2)26(29)34-28-33-25(38)23(41-28)14-17-6-8-19(9-7-17)36-12-10-18(11-13-36)30-15-20(37)16-40-22-5-3-4-21-24(22)32-27(39)31-21/h3-9,14,18,20,30,37H,10-13,15-16H2,1-2H3,(H2,31,32,39)(H2,29,33,34,38)/t20-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description Inhibition of 125 I-Iodocyanopindolol binding to Beta-1 adrenergic receptor |
Bioorg Med Chem Lett 11: 981-4 (2001)
BindingDB Entry DOI: 10.7270/Q2125RZ5 |
More data for this Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM50255223
(4-(3N-(2-Amino-2-methyl-1,3-dihydroxypropyl)-2-hyd...)Show InChI InChI=1S/C20H23NO6/c1-20(11-22,12-23)21-9-13(24)10-26-17-8-4-6-15-18(25)14-5-2-3-7-16(14)27-19(15)17/h2-8,13,21-24H,9-12H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description Displacement of [3H]CGP12177 from beta1 adrenergic receptor in rat cerebral cortex by liquid scintillation counting |
Bioorg Med Chem 17: 1345-52 (2009)
Article DOI: 10.1016/j.bmc.2008.12.031 BindingDB Entry DOI: 10.7270/Q2KP8213 |
More data for this Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50518984
(CHEMBL4564189)Show SMILES CC(C)NC[C@H](O)COc1ccccc1CCCCNC(=O)NCCCCc1ccccc1OC[C@@H](O)CNC(C)C |r| Show InChI InChI=1S/C33H54N4O5/c1-25(2)36-21-29(38)23-41-31-17-7-5-13-27(31)15-9-11-19-34-33(40)35-20-12-10-16-28-14-6-8-18-32(28)42-24-30(39)22-37-26(3)4/h5-8,13-14,17-18,25-26,29-30,36-39H,9-12,15-16,19-24H2,1-4H3,(H2,34,35,40)/t29-,30-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description Displacement of [3H]DHA from beta1 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla... |
J Med Chem 62: 7806-7839 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00595 BindingDB Entry DOI: 10.7270/Q2PG1W4K |
More data for this Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM25764
(ALPRENOLOL,(+) | ALPRENOLOL,(-) | Alfeprol | Alphe...)Show InChI InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 4.17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Niigata College of Pharmacy
Curated by PDSP Ki Database
| |
Jpn J Pharmacol 52: 195-200 (1990)
Article DOI: 10.1254/jjp.52.195 BindingDB Entry DOI: 10.7270/Q2H41PXD |
More data for this Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50518993
(CHEMBL4527821)Show SMILES CC(C)NC[C@H](O)COc1ccccc1CCCCCCCCc1ccccc1OC[C@@H](O)CNC(C)C |r| Show InChI InChI=1S/C32H52N2O4/c1-25(2)33-21-29(35)23-37-31-19-13-11-17-27(31)15-9-7-5-6-8-10-16-28-18-12-14-20-32(28)38-24-30(36)22-34-26(3)4/h11-14,17-20,25-26,29-30,33-36H,5-10,15-16,21-24H2,1-4H3/t29-,30-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description Displacement of [3H]DHA from beta1 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes measured after 90 mins by scintilla... |
J Med Chem 62: 7806-7839 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00595 BindingDB Entry DOI: 10.7270/Q2PG1W4K |
More data for this Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50055249
(CHEMBL3323670)Show SMILES CCCCOc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)sc23)c1 |r| Show InChI InChI=1S/C21H26N2O4S/c1-2-3-11-27-15-6-4-5-14(12-15)9-10-22-13-18(25)16-7-8-17(24)19-20(16)28-21(26)23-19/h4-8,12,18,22,24-25H,2-3,9-11,13H2,1H3,(H,23,26)/t18-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.30 | 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 Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta1 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay |
Bioorg Med Chem Lett 24: 4341-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.06.014 BindingDB Entry DOI: 10.7270/Q2Z89F2R |
More data for this Ligand-Target Pair | |