Found 626 hits of ic50 data for polymerid = 2888 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/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)) | BDBM50378919
(CHEMBL2011218)Show SMILES O[C@@H](CNCCNC(=O)Nc1cccc(OCCF)c1)COc1ccccc1C#N |r| Show InChI InChI=1S/C21H25FN4O4/c22-8-11-29-19-6-3-5-17(12-19)26-21(28)25-10-9-24-14-18(27)15-30-20-7-2-1-4-16(20)13-23/h1-7,12,18,24,27H,8-11,14-15H2,(H2,25,26,28)/t18-/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 | 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay |
ACS Med Chem Lett 2: 650-655 (2011)
Article DOI: 10.1021/ml1002458
BindingDB Entry DOI: 10.7270/Q25H7H8S |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50378913
(CHEMBL2011227)Show SMILES O[C@@H](CNCCNC(=O)Nc1ccc(Br)nc1)COc1ccccc1C#N |r| Show InChI InChI=1S/C18H20BrN5O3/c19-17-6-5-14(10-23-17)24-18(26)22-8-7-21-11-15(25)12-27-16-4-2-1-3-13(16)9-20/h1-6,10,15,21,25H,7-8,11-12H2,(H2,22,24,26)/t15-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay |
ACS Med Chem Lett 2: 650-655 (2011)
Article DOI: 10.1021/ml1002458
BindingDB Entry DOI: 10.7270/Q25H7H8S |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50378927
(CHEMBL2011226)Show SMILES O[C@@H](CNCCNC(=O)Nc1ccc(I)nc1)COc1ccccc1C#N |r| Show InChI InChI=1S/C18H20IN5O3/c19-17-6-5-14(10-23-17)24-18(26)22-8-7-21-11-15(25)12-27-16-4-2-1-3-13(16)9-20/h1-6,10,15,21,25H,7-8,11-12H2,(H2,22,24,26)/t15-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay |
ACS Med Chem Lett 2: 650-655 (2011)
Article DOI: 10.1021/ml1002458
BindingDB Entry DOI: 10.7270/Q25H7H8S |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50378917
(CHEMBL2011216)Show SMILES O[C@@H](CNCCNC(=O)Nc1ccc(OCCF)cc1)COc1ccccc1C#N |r| Show InChI InChI=1S/C21H25FN4O4/c22-9-12-29-19-7-5-17(6-8-19)26-21(28)25-11-10-24-14-18(27)15-30-20-4-2-1-3-16(20)13-23/h1-8,18,24,27H,9-12,14-15H2,(H2,25,26,28)/t18-/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 | 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay |
ACS Med Chem Lett 2: 650-655 (2011)
Article DOI: 10.1021/ml1002458
BindingDB Entry DOI: 10.7270/Q25H7H8S |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50378925
(CHEMBL2011224)Show SMILES O[C@@H](CNCCNC(=O)Nc1ccc(OCCF)nc1)COc1ccccc1C#N |r| Show InChI InChI=1S/C20H24FN5O4/c21-7-10-29-19-6-5-16(12-25-19)26-20(28)24-9-8-23-13-17(27)14-30-18-4-2-1-3-15(18)11-22/h1-6,12,17,23,27H,7-10,13-14H2,(H2,24,26,28)/t17-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay |
ACS Med Chem Lett 2: 650-655 (2011)
Article DOI: 10.1021/ml1002458
BindingDB Entry DOI: 10.7270/Q25H7H8S |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50378916
(CHEMBL2011215)Show SMILES O[C@@H](CNCCNC(=O)Nc1ccc(F)cc1)COc1ccccc1C#N |r| Show InChI InChI=1S/C19H21FN4O3/c20-15-5-7-16(8-6-15)24-19(26)23-10-9-22-12-17(25)13-27-18-4-2-1-3-14(18)11-21/h1-8,17,22,25H,9-10,12-13H2,(H2,23,24,26)/t17-/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 | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay |
ACS Med Chem Lett 2: 650-655 (2011)
Article DOI: 10.1021/ml1002458
BindingDB Entry DOI: 10.7270/Q25H7H8S |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50378914
(CHEMBL2011213)Show SMILES COc1ccc(NC(=O)NCCNC[C@H](O)COc2ccccc2C#N)cc1 |r| Show InChI InChI=1S/C20H24N4O4/c1-27-18-8-6-16(7-9-18)24-20(26)23-11-10-22-13-17(25)14-28-19-5-3-2-4-15(19)12-21/h2-9,17,22,25H,10-11,13-14H2,1H3,(H2,23,24,26)/t17-/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 | 0.110 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay |
ACS Med Chem Lett 2: 650-655 (2011)
Article DOI: 10.1021/ml1002458
BindingDB Entry DOI: 10.7270/Q25H7H8S |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50378935
(CHEMBL2011235)Show SMILES O[C@@H](CNCCNC(=O)Cc1ccc(F)cc1)COc1ccccc1C#N |r| Show InChI InChI=1S/C20H22FN3O3/c21-17-7-5-15(6-8-17)11-20(26)24-10-9-23-13-18(25)14-27-19-4-2-1-3-16(19)12-22/h1-8,18,23,25H,9-11,13-14H2,(H,24,26)/t18-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.140 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay |
ACS Med Chem Lett 2: 650-655 (2011)
Article DOI: 10.1021/ml1002458
BindingDB Entry DOI: 10.7270/Q25H7H8S |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50378915
(CHEMBL2011214)Show SMILES O[C@@H](CNCCNC(=O)Nc1ccccc1F)COc1ccccc1C#N |r| Show InChI InChI=1S/C19H21FN4O3/c20-16-6-2-3-7-17(16)24-19(26)23-10-9-22-12-15(25)13-27-18-8-4-1-5-14(18)11-21/h1-8,15,22,25H,9-10,12-13H2,(H2,23,24,26)/t15-/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 | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay |
ACS Med Chem Lett 2: 650-655 (2011)
Article DOI: 10.1021/ml1002458
BindingDB Entry DOI: 10.7270/Q25H7H8S |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50378918
(CHEMBL2011217)Show SMILES O[C@@H](CNCCNC(=O)Nc1ccc(OCCCF)cc1)COc1ccccc1C#N |r| Show InChI InChI=1S/C22H27FN4O4/c23-10-3-13-30-20-8-6-18(7-9-20)27-22(29)26-12-11-25-15-19(28)16-31-21-5-2-1-4-17(21)14-24/h1-2,4-9,19,25,28H,3,10-13,15-16H2,(H2,26,27,29)/t19-/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 | 0.25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay |
ACS Med Chem Lett 2: 650-655 (2011)
Article DOI: 10.1021/ml1002458
BindingDB Entry DOI: 10.7270/Q25H7H8S |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50378926
(CHEMBL2011225)Show SMILES O[C@@H](CNCCNC(=O)Nc1ccc(F)nc1)COc1ccccc1C#N |r| Show InChI InChI=1S/C18H20FN5O3/c19-17-6-5-14(10-23-17)24-18(26)22-8-7-21-11-15(25)12-27-16-4-2-1-3-13(16)9-20/h1-6,10,15,21,25H,7-8,11-12H2,(H2,22,24,26)/t15-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay |
ACS Med Chem Lett 2: 650-655 (2011)
Article DOI: 10.1021/ml1002458
BindingDB Entry DOI: 10.7270/Q25H7H8S |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50378928
(CHEMBL2011228)Show SMILES O[C@@H](CNCCNC(=O)Nc1cnc(Br)cn1)COc1ccccc1C#N |r| Show InChI InChI=1S/C17H19BrN6O3/c18-15-9-23-16(10-22-15)24-17(26)21-6-5-20-8-13(25)11-27-14-4-2-1-3-12(14)7-19/h1-4,9-10,13,20,25H,5-6,8,11H2,(H2,21,23,24,26)/t13-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.350 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay |
ACS Med Chem Lett 2: 650-655 (2011)
Article DOI: 10.1021/ml1002458
BindingDB Entry DOI: 10.7270/Q25H7H8S |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50378923
(CHEMBL2011222)Show SMILES O[C@@H](CNCCNC(=O)Nc1ccc(C(O)=O)c(F)c1)COc1ccccc1C#N |r| Show InChI InChI=1S/C20H21FN4O5/c21-17-9-14(5-6-16(17)19(27)28)25-20(29)24-8-7-23-11-15(26)12-30-18-4-2-1-3-13(18)10-22/h1-6,9,15,23,26H,7-8,11-12H2,(H,27,28)(H2,24,25,29)/t15-/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 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay |
ACS Med Chem Lett 2: 650-655 (2011)
Article DOI: 10.1021/ml1002458
BindingDB Entry DOI: 10.7270/Q25H7H8S |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50378920
(CHEMBL2011219)Show SMILES CC(CF)Nc1ccc(NC(=O)NCCNC[C@H](O)COc2ccccc2C#N)cc1 |r| Show InChI InChI=1S/C22H28FN5O3/c1-16(12-23)27-18-6-8-19(9-7-18)28-22(30)26-11-10-25-14-20(29)15-31-21-5-3-2-4-17(21)13-24/h2-9,16,20,25,27,29H,10-12,14-15H2,1H3,(H2,26,28,30)/t16?,20-/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 | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay |
ACS Med Chem Lett 2: 650-655 (2011)
Article DOI: 10.1021/ml1002458
BindingDB Entry DOI: 10.7270/Q25H7H8S |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50378922
(CHEMBL2011221)Show SMILES O[C@@H](CNCCNC(=O)Nc1ccc(cc1)C(O)=O)COc1cc(F)ccc1C#N |r| Show InChI InChI=1S/C20H21FN4O5/c21-15-4-1-14(10-22)18(9-15)30-12-17(26)11-23-7-8-24-20(29)25-16-5-2-13(3-6-16)19(27)28/h1-6,9,17,23,26H,7-8,11-12H2,(H,27,28)(H2,24,25,29)/t17-/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 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay |
ACS Med Chem Lett 2: 650-655 (2011)
Article DOI: 10.1021/ml1002458
BindingDB Entry DOI: 10.7270/Q25H7H8S |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50378924
(CHEMBL2011223)Show SMILES CCOc1ccc(NC(=O)NCCNC[C@H](O)COc2cccc(F)c2C#N)cc1 |r| Show InChI InChI=1S/C21H25FN4O4/c1-2-29-17-8-6-15(7-9-17)26-21(28)25-11-10-24-13-16(27)14-30-20-5-3-4-19(22)18(20)12-23/h3-9,16,24,27H,2,10-11,13-14H2,1H3,(H2,25,26,28)/t16-/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 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay |
ACS Med Chem Lett 2: 650-655 (2011)
Article DOI: 10.1021/ml1002458
BindingDB Entry DOI: 10.7270/Q25H7H8S |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50419677
(CHEMBL1945035)Show SMILES O[C@@H](CNCCc1ccccc1CNCCc1ccccc1F)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C26H28FN3O3S/c27-21-8-4-3-6-18(21)12-14-28-15-19-7-2-1-5-17(19)11-13-29-16-23(32)20-9-10-22(31)24-25(20)34-26(33)30-24/h1-10,23,28-29,31-32H,11-16H2,(H,30,33)/t23-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled iodocyanopindolol from beta1 adrenoceptor |
Bioorg Med Chem Lett 22: 689-95 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.049
BindingDB Entry DOI: 10.7270/Q2KW5H90 |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50378934
(CHEMBL2011234)Show SMILES O[C@@H](CNCCCC(=O)Nc1ccc(F)nc1)COc1ccccc1C#N |r| Show InChI InChI=1S/C19H21FN4O3/c20-18-8-7-15(11-23-18)24-19(26)6-3-9-22-12-16(25)13-27-17-5-2-1-4-14(17)10-21/h1-2,4-5,7-8,11,16,22,25H,3,6,9,12-13H2,(H,24,26)/t16-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay |
ACS Med Chem Lett 2: 650-655 (2011)
Article DOI: 10.1021/ml1002458
BindingDB Entry DOI: 10.7270/Q25H7H8S |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50418942
(CHEMBL1807822)Show SMILES O[C@@H](CNCCCOCCOCCc1cccc2ccccc12)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C26H30N2O5S/c29-22-10-9-21(25-24(22)28-26(31)34-25)23(30)17-27-12-4-13-32-15-16-33-14-11-19-7-3-6-18-5-1-2-8-20(18)19/h1-3,5-10,23,27,29-30H,4,11-17H2,(H,28,31)/t23-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to adrenergic beta1 receptor |
Bioorg Med Chem Lett 21: 4612-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.097
BindingDB Entry DOI: 10.7270/Q2QV3NS2 |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50418943
(CHEMBL1807821)Show SMILES O[C@@H](CNCCCOCCOCCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C22H28N2O5S/c25-18-8-7-17(21-20(18)24-22(27)30-21)19(26)15-23-10-4-11-28-13-14-29-12-9-16-5-2-1-3-6-16/h1-3,5-8,19,23,25-26H,4,9-15H2,(H,24,27)/t19-/m0/s1 | PDB
Reactome pathway
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UniChem
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PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to adrenergic beta1 receptor |
Bioorg Med Chem Lett 21: 4612-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.097
BindingDB Entry DOI: 10.7270/Q2QV3NS2 |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50418944
(CHEMBL1807819)Show SMILES O[C@@H](CNCCCSCCCOCCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C23H30N2O4S2/c26-19-9-8-18(22-21(19)25-23(28)31-22)20(27)16-24-11-4-14-30-15-5-12-29-13-10-17-6-2-1-3-7-17/h1-3,6-9,20,24,26-27H,4-5,10-16H2,(H,25,28)/t20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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PC sid
UniChem
Similars
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PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to adrenergic beta1 receptor |
Bioorg Med Chem Lett 21: 4612-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.097
BindingDB Entry DOI: 10.7270/Q2QV3NS2 |
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
UniProtKB/SwissProt
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| PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Antagonist activity at beta1 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes assessed as inhibition of isoproterenol-i... |
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)) | 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
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| DrugBank
PubMed
| n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for inhibition of [3H]dihydroalprenolol radioligand binding to Beta-1 adrenergic receptor in dog heart. |
J Med Chem 25: 931-6 (1982)
BindingDB Entry DOI: 10.7270/Q2ZP46P5 |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50378936
(CHEMBL2011236)Show SMILES O[C@@H](CNCCNS(=O)(=O)c1ccccc1F)COc1ccccc1C#N |r| Show InChI InChI=1S/C18H20FN3O4S/c19-16-6-2-4-8-18(16)27(24,25)22-10-9-21-12-15(23)13-26-17-7-3-1-5-14(17)11-20/h1-8,15,21-23H,9-10,12-13H2/t15-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
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PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay |
ACS Med Chem Lett 2: 650-655 (2011)
Article DOI: 10.1021/ml1002458
BindingDB Entry DOI: 10.7270/Q25H7H8S |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50518985
(CHEMBL4465278)Show SMILES CC(C)NC[C@H](O)COc1ccccc1CCCCCNC(=O)NCCCCCc1ccccc1OC[C@@H](O)CNC(C)C |r| Show InChI InChI=1S/C35H58N4O5/c1-27(2)38-23-31(40)25-43-33-19-11-9-17-29(33)15-7-5-13-21-36-35(42)37-22-14-6-8-16-30-18-10-12-20-34(30)44-26-32(41)24-39-28(3)4/h9-12,17-20,27-28,31-32,38-41H,5-8,13-16,21-26H2,1-4H3,(H2,36,37,42)/t31-,32-/m0/s1 | PDB
Reactome pathway
KEGG
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DrugBank
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Antagonist activity at beta1 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes assessed as inhibition of isoproterenol-i... |
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
Reactome pathway
KEGG
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MCE
PC cid
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UniChem
| Article
PubMed
| n/a | n/a | 5.90 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Antagonist activity at beta1 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes assessed as inhibition of isoproterenol-i... |
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)) | BDBM50019355
(1-(3,4,5-Trimethoxy-benzyl)-1,2,3,4-tetrahydro-iso...)Show InChI InChI=1S/C19H23NO5/c1-23-17-7-11(8-18(24-2)19(17)25-3)6-14-13-10-16(22)15(21)9-12(13)4-5-20-14/h7-10,14,20-22H,4-6H2,1-3H3 | PDB
Reactome pathway
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UniChem
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| PubMed
| n/a | n/a | 6.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Compound was evaluated for its inhibitory activity against human beta1 adrenergic receptor (AR) |
Bioorg Med Chem Lett 10: 2283-6 (2001)
BindingDB Entry DOI: 10.7270/Q2F47NCG |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50419703
(CHEMBL1945042)Show SMILES O[C@@H](CNCCc1cccc(CNCc2ccccc2F)c1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C25H26FN3O3S/c26-20-7-2-1-6-18(20)14-28-13-17-5-3-4-16(12-17)10-11-27-15-22(31)19-8-9-21(30)23-24(19)33-25(32)29-23/h1-9,12,22,27-28,30-31H,10-11,13-15H2,(H,29,32)/t22-/m0/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled iodocyanopindolol from beta1 adrenoceptor |
Bioorg Med Chem Lett 22: 689-95 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.049
BindingDB Entry DOI: 10.7270/Q2KW5H90 |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50070125
(CHEMBL276659 | N-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy...)Show SMILES O[C@@H](CNCCc1ccc(NC(=O)c2ccccc2)cc1)COc1ccc(O)cc1 Show InChI InChI=1S/C24H26N2O4/c27-21-10-12-23(13-11-21)30-17-22(28)16-25-15-14-18-6-8-20(9-7-18)26-24(29)19-4-2-1-3-5-19/h1-13,22,25,27-28H,14-17H2,(H,26,29)/t22-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Tested for binding affinity against cloned human beta-1 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand |
Bioorg Med Chem Lett 8: 1101-6 (1999)
BindingDB Entry DOI: 10.7270/Q2VM4BDM |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50418945
(CHEMBL1807818)Show SMILES O[C@@H](CNCCCSCCOCCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C22H28N2O4S2/c25-18-8-7-17(21-20(18)24-22(27)30-21)19(26)15-23-10-4-13-29-14-12-28-11-9-16-5-2-1-3-6-16/h1-3,5-8,19,23,25-26H,4,9-15H2,(H,24,27)/t19-/m0/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to adrenergic beta1 receptor |
Bioorg Med Chem Lett 21: 4612-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.097
BindingDB Entry DOI: 10.7270/Q2QV3NS2 |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50418958
(CHEMBL1807820)Show SMILES O[C@@H](CNCCCSCCOCCc1cccc2ccccc12)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C26H30N2O4S2/c29-22-10-9-21(25-24(22)28-26(31)34-25)23(30)17-27-12-4-15-33-16-14-32-13-11-19-7-3-6-18-5-1-2-8-20(18)19/h1-3,5-10,23,27,29-30H,4,11-17H2,(H,28,31)/t23-/m0/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to adrenergic beta1 receptor |
Bioorg Med Chem Lett 21: 4612-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.097
BindingDB Entry DOI: 10.7270/Q2QV3NS2 |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50419706
(CHEMBL1945296)Show SMILES O[C@@H](CNCCCc1cccc(CNCCc2c(Cl)cccc2Cl)c1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C27H29Cl2N3O3S/c28-21-7-2-8-22(29)19(21)11-13-31-15-18-5-1-4-17(14-18)6-3-12-30-16-24(34)20-9-10-23(33)25-26(20)36-27(35)32-25/h1-2,4-5,7-10,14,24,30-31,33-34H,3,6,11-13,15-16H2,(H,32,35)/t24-/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 | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled iodocyanopindolol from beta1 adrenoceptor |
Bioorg Med Chem Lett 22: 689-95 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.049
BindingDB Entry DOI: 10.7270/Q2KW5H90 |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50418946
(CHEMBL1807817)Show SMILES O[C@@H](CNCCSCCCOCCc1ccccc1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C22H28N2O4S2/c25-18-8-7-17(21-20(18)24-22(27)30-21)19(26)15-23-10-14-29-13-4-11-28-12-9-16-5-2-1-3-6-16/h1-3,5-8,19,23,25-26H,4,9-15H2,(H,24,27)/t19-/m0/s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Binding affinity to adrenergic beta1 receptor |
Bioorg Med Chem Lett 21: 4612-6 (2011)
Article DOI: 10.1016/j.bmcl.2011.05.097
BindingDB Entry DOI: 10.7270/Q2QV3NS2 |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50419704
(CHEMBL1945289)Show SMILES COc1ccc(CNCc2cccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)sc34)c2)cc1 |r| Show InChI InChI=1S/C26H29N3O4S/c1-33-20-7-5-18(6-8-20)14-28-15-19-4-2-3-17(13-19)11-12-27-16-23(31)21-9-10-22(30)24-25(21)34-26(32)29-24/h2-10,13,23,27-28,30-31H,11-12,14-16H2,1H3,(H,29,32)/t23-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled iodocyanopindolol from beta1 adrenoceptor |
Bioorg Med Chem Lett 22: 689-95 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.049
BindingDB Entry DOI: 10.7270/Q2KW5H90 |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50378930
(CHEMBL2011230)Show SMILES O[C@@H](CNCCNC(=O)Nc1nnn(CCF)n1)COc1ccccc1C#N |r| Show InChI InChI=1S/C16H21FN8O3/c17-5-8-25-23-15(22-24-25)21-16(27)20-7-6-19-10-13(26)11-28-14-4-2-1-3-12(14)9-18/h1-4,13,19,26H,5-8,10-11H2,(H2,20,21,23,27)/t13-/m0/s1 | PDB
Reactome pathway
KEGG
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PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay |
ACS Med Chem Lett 2: 650-655 (2011)
Article DOI: 10.1021/ml1002458
BindingDB Entry DOI: 10.7270/Q25H7H8S |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50070138
(4-{(S)-2-Hydroxy-3-[(S)-3-(4-methoxy-phenyl)-1-met...)Show SMILES COc1ccc(CC[C@H](C)NC[C@H](O)COc2ccc(O)cc2)cc1 Show InChI InChI=1S/C20H27NO4/c1-15(3-4-16-5-9-19(24-2)10-6-16)21-13-18(23)14-25-20-11-7-17(22)8-12-20/h5-12,15,18,21-23H,3-4,13-14H2,1-2H3/t15-,18-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Compound was tested for binding affinity against cloned human beta-1 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as radioligand |
Bioorg Med Chem Lett 8: 1101-6 (1999)
BindingDB Entry DOI: 10.7270/Q2VM4BDM |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50419682
(CHEMBL1945041)Show SMILES O[C@@H](CNCCc1cccc(CNCc2ccccc2Cl)c1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C25H26ClN3O3S/c26-20-7-2-1-6-18(20)14-28-13-17-5-3-4-16(12-17)10-11-27-15-22(31)19-8-9-21(30)23-24(19)33-25(32)29-23/h1-9,12,22,27-28,30-31H,10-11,13-15H2,(H,29,32)/t22-/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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled iodocyanopindolol from beta1 adrenoceptor |
Bioorg Med Chem Lett 22: 689-95 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.049
BindingDB Entry DOI: 10.7270/Q2KW5H90 |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50378933
(CHEMBL2011233)Show SMILES O[C@@H](CNCCNC(=O)c1ccc(F)nc1)COc1ccccc1C#N |r| Show InChI InChI=1S/C18H19FN4O3/c19-17-6-5-14(10-23-17)18(25)22-8-7-21-11-15(24)12-26-16-4-2-1-3-13(16)9-20/h1-6,10,15,21,24H,7-8,11-12H2,(H,22,25)/t15-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
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PC cid
PC sid
UniChem
| Article
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H](-)-CGP-12177 from adrenergic beta1 receptor by cell based assay |
ACS Med Chem Lett 2: 650-655 (2011)
Article DOI: 10.1021/ml1002458
BindingDB Entry DOI: 10.7270/Q25H7H8S |
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
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Antagonist activity at beta1 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes assessed as inhibition of isoproterenol-i... |
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)) | BDBM50419668
(CHEMBL1947157)Show SMILES O[C@@H](CNCCc1cccc(CNCCc2c(Cl)cccc2Cl)c1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C26H27Cl2N3O3S/c27-20-5-2-6-21(28)18(20)10-12-29-14-17-4-1-3-16(13-17)9-11-30-15-23(33)19-7-8-22(32)24-25(19)35-26(34)31-24/h1-8,13,23,29-30,32-33H,9-12,14-15H2,(H,31,34)/t23-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled iodocyanopindolol from beta1 adrenoceptor |
Bioorg Med Chem Lett 22: 689-95 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.049
BindingDB Entry DOI: 10.7270/Q2KW5H90 |
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
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Antagonist activity at beta1 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes assessed as inhibition of isoproterenol-i... |
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)) | 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
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Antagonist activity at beta1 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes assessed as inhibition of isoproterenol-i... |
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)) | 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
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antibodypedia
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CHEMBL
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MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Antagonist activity at beta1 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes assessed as inhibition of isoproterenol-i... |
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)) | BDBM50070149
(4-((3S)-3-{[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)pro...)Show SMILES C[C@@H](CCc1ccc(O)cc1)NC[C@H](O)COc1ccc(O)cc1 Show InChI InChI=1S/C19H25NO4/c1-14(2-3-15-4-6-16(21)7-5-15)20-12-18(23)13-24-19-10-8-17(22)9-11-19/h4-11,14,18,20-23H,2-3,12-13H2,1H3/t14-,18-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Tested for binding affinity against cloned human beta-1 adrenergic receptor from CHO cells using [125I]-iodocyanopindolol as the radioligand |
Bioorg Med Chem Lett 8: 1101-6 (1999)
BindingDB Entry DOI: 10.7270/Q2VM4BDM |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50070142
(4-{(S)-2-Hydroxy-3-[3-(4-methoxy-phenyl)-propylami...)Show InChI InChI=1S/C19H25NO4/c1-23-18-8-4-15(5-9-18)3-2-12-20-13-17(22)14-24-19-10-6-16(21)7-11-19/h4-11,17,20-22H,2-3,12-14H2,1H3/t17-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Compound was tested for agonist activity against cloned human beta-1 adrenergic receptor |
Bioorg Med Chem Lett 8: 1101-6 (1999)
BindingDB Entry DOI: 10.7270/Q2VM4BDM |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50096772
(CHEMBL123745 | Cyanoguanidine derivative)Show SMILES CCCCCCCCc1csc(n1)N1CCc2cc(NC(Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)=NC#N)ccc12 |w:40.43| Show InChI InChI=1S/C36H44N8OS/c1-2-3-4-5-6-7-10-32-25-46-36(43-32)44-21-18-28-22-31(15-16-33(28)44)42-35(40-26-37)41-30-13-11-27(12-14-30)17-20-39-24-34(45)29-9-8-19-38-23-29/h8-9,11-16,19,22-23,25,34,39,45H,2-7,10,17-18,20-21,24H2,1H3,(H2,40,41,42)/t34-/m0/s1 | PDB
Reactome pathway
KEGG
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DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity for human Beta-1 adrenergic receptor using [125I]-iodocyanopindolol as radioligand in CHO cells |
Bioorg Med Chem Lett 11: 379-82 (2001)
BindingDB Entry DOI: 10.7270/Q2CR5SNJ |
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
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PC sid
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Patents
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| DrugBank
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Berlex Laboratories
Curated by ChEMBL
| Assay Description
Tested for Beta-1 adrenergic receptor selectivity in canine cardiac tissue in anesthetized dogs |
J Med Chem 33: 2883-91 (1990)
BindingDB Entry DOI: 10.7270/Q2416XN5 |
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
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Copenhagen
Curated by ChEMBL
| Assay Description
Antagonist activity at beta1 adrenergic receptor (unknown origin) stably expressed in HEK293 cell membranes assessed as inhibition of isoproterenol-i... |
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)) | BDBM50419663
(CHEMBL1945297)Show SMILES CC(Cc1cccc(CNCCc2c(Cl)cccc2Cl)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C27H29Cl2N3O3S/c1-16(31-15-24(34)20-8-9-23(33)25-26(20)36-27(35)32-25)12-17-4-2-5-18(13-17)14-30-11-10-19-21(28)6-3-7-22(19)29/h2-9,13,16,24,30-31,33-34H,10-12,14-15H2,1H3,(H,32,35)/t16?,24-/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 | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled iodocyanopindolol from beta1 adrenoceptor |
Bioorg Med Chem Lett 22: 689-95 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.049
BindingDB Entry DOI: 10.7270/Q2KW5H90 |
More data for this
Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50419679
(CHEMBL1945037)Show SMILES O[C@@H](CNCCc1cccc(CNCCCc2ccccc2)c1)c1ccc(O)c2[nH]c(=O)sc12 |r| Show InChI InChI=1S/C27H31N3O3S/c31-23-12-11-22(26-25(23)30-27(33)34-26)24(32)18-29-15-13-20-8-4-9-21(16-20)17-28-14-5-10-19-6-2-1-3-7-19/h1-4,6-9,11-12,16,24,28-29,31-32H,5,10,13-15,17-18H2,(H,30,33)/t24-/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 | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Displacement of radiolabeled iodocyanopindolol from beta1 adrenoceptor |
Bioorg Med Chem Lett 22: 689-95 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.049
BindingDB Entry DOI: 10.7270/Q2KW5H90 |
More data for this
Ligand-Target Pair | |
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