Found 10 hits of Enzyme Inhibition Constant Data Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Beta-1 adrenergic receptor
(Rattus norvegicus (Rat)) | BDBM50352113
(CHEMBL1824263)Show SMILES COc1ccc2nc(-c3ccc(OCC(O)CNC(C)(C)C)cc3)n(C)c(=O)c2c1 Show InChI InChI=1S/C23H29N3O4/c1-23(2,3)24-13-16(27)14-30-17-8-6-15(7-9-17)21-25-20-11-10-18(29-5)12-19(20)22(28)26(21)4/h6-12,16,24,27H,13-14H2,1-5H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 77 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by ChEMBL
| Assay Description Displacement of [3H]-CGP12177 from beta1-adrenergic receptor in rat heart membranes |
Bioorg Med Chem Lett 21: 5506-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.106 BindingDB Entry DOI: 10.7270/Q25B02VN |
More data for this Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50352111
(CHEMBL1824265)Show SMILES COc1ccc2nc(-c3ccc(OCC(O)CNC(C)CF)cc3)n(C)c(=O)c2c1 Show InChI InChI=1S/C22H26FN3O4/c1-14(11-23)24-12-16(27)13-30-17-6-4-15(5-7-17)21-25-20-9-8-18(29-3)10-19(20)22(28)26(21)2/h4-10,14,16,24,27H,11-13H2,1-3H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by ChEMBL
| Assay Description Displacement of [125I]-Iodopindolol from beta1-adrenergic receptor after 1.5 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 21: 5506-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.106 BindingDB Entry DOI: 10.7270/Q25B02VN |
More data for this Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50352110
(CHEMBL1824264)Show SMILES COc1ccc2nc(-c3ccc(OCC(O)CNC(C)C)cc3)n(C)c(=O)c2c1 Show InChI InChI=1S/C22H27N3O4/c1-14(2)23-12-16(26)13-29-17-7-5-15(6-8-17)21-24-20-10-9-18(28-4)11-19(20)22(27)25(21)3/h5-11,14,16,23,26H,12-13H2,1-4H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by ChEMBL
| Assay Description Displacement of [125I]-Iodopindolol from beta1-adrenergic receptor after 1.5 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 21: 5506-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.106 BindingDB Entry DOI: 10.7270/Q25B02VN |
More data for this Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50352112
(CHEMBL1824266)Show SMILES COc1ccc2nc(-c3ccc(OC[C@@H](O)CNC(C)CF)cc3)n(C)c(=O)c2c1 |r| Show InChI InChI=1S/C22H26FN3O4/c1-14(11-23)24-12-16(27)13-30-17-6-4-15(5-7-17)21-25-20-9-8-18(29-3)10-19(20)22(28)26(21)2/h4-10,14,16,24,27H,11-13H2,1-3H3/t14?,16-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by ChEMBL
| Assay Description Displacement of [125I]-Iodopindolol from beta1-adrenergic receptor after 1.5 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 21: 5506-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.106 BindingDB Entry DOI: 10.7270/Q25B02VN |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50352110
(CHEMBL1824264)Show SMILES COc1ccc2nc(-c3ccc(OCC(O)CNC(C)C)cc3)n(C)c(=O)c2c1 Show InChI InChI=1S/C22H27N3O4/c1-14(2)23-12-16(26)13-29-17-7-5-15(6-8-17)21-24-20-10-9-18(28-4)11-19(20)22(27)25(21)3/h5-11,14,16,23,26H,12-13H2,1-4H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by ChEMBL
| Assay Description Displacement of [3H]-8-OH-DPAT from 5HT1A receptor after 1.5 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 21: 5506-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.106 BindingDB Entry DOI: 10.7270/Q25B02VN |
More data for this Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50352110
(CHEMBL1824264)Show SMILES COc1ccc2nc(-c3ccc(OCC(O)CNC(C)C)cc3)n(C)c(=O)c2c1 Show InChI InChI=1S/C22H27N3O4/c1-14(2)23-12-16(26)13-29-17-7-5-15(6-8-17)21-24-20-10-9-18(28-4)11-19(20)22(27)25(21)3/h5-11,14,16,23,26H,12-13H2,1-4H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 7.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by ChEMBL
| Assay Description Displacement of [125I]-Iodopindolol from beta2-adrenergic receptor after 1.5 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 21: 5506-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.106 BindingDB Entry DOI: 10.7270/Q25B02VN |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50352112
(CHEMBL1824266)Show SMILES COc1ccc2nc(-c3ccc(OC[C@@H](O)CNC(C)CF)cc3)n(C)c(=O)c2c1 |r| Show InChI InChI=1S/C22H26FN3O4/c1-14(11-23)24-12-16(27)13-30-17-6-4-15(5-7-17)21-25-20-9-8-18(29-3)10-19(20)22(28)26(21)2/h4-10,14,16,24,27H,11-13H2,1-3H3/t14?,16-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by ChEMBL
| Assay Description Displacement of [3H]-8-OH-DPAT from 5HT1A receptor after 1.5 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 21: 5506-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.106 BindingDB Entry DOI: 10.7270/Q25B02VN |
More data for this Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50352112
(CHEMBL1824266)Show SMILES COc1ccc2nc(-c3ccc(OC[C@@H](O)CNC(C)CF)cc3)n(C)c(=O)c2c1 |r| Show InChI InChI=1S/C22H26FN3O4/c1-14(11-23)24-12-16(27)13-30-17-6-4-15(5-7-17)21-25-20-9-8-18(29-3)10-19(20)22(28)26(21)2/h4-10,14,16,24,27H,11-13H2,1-3H3/t14?,16-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by ChEMBL
| Assay Description Displacement of [125I]-Iodopindolol from beta2-adrenergic receptor after 1.5 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 21: 5506-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.106 BindingDB Entry DOI: 10.7270/Q25B02VN |
More data for this Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50352111
(CHEMBL1824265)Show SMILES COc1ccc2nc(-c3ccc(OCC(O)CNC(C)CF)cc3)n(C)c(=O)c2c1 Show InChI InChI=1S/C22H26FN3O4/c1-14(11-23)24-12-16(27)13-30-17-6-4-15(5-7-17)21-25-20-9-8-18(29-3)10-19(20)22(28)26(21)2/h4-10,14,16,24,27H,11-13H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by ChEMBL
| Assay Description Displacement of [125I]-Iodopindolol from beta2-adrenergic receptor after 1.5 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 21: 5506-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.106 BindingDB Entry DOI: 10.7270/Q25B02VN |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50352111
(CHEMBL1824265)Show SMILES COc1ccc2nc(-c3ccc(OCC(O)CNC(C)CF)cc3)n(C)c(=O)c2c1 Show InChI InChI=1S/C22H26FN3O4/c1-14(11-23)24-12-16(27)13-30-17-6-4-15(5-7-17)21-25-20-9-8-18(29-3)10-19(20)22(28)26(21)2/h4-10,14,16,24,27H,11-13H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Toronto
Curated by ChEMBL
| Assay Description Displacement of [3H]-8-OH-DPAT from 5HT1A receptor after 1.5 hrs by liquid scintillation counting |
Bioorg Med Chem Lett 21: 5506-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.06.106 BindingDB Entry DOI: 10.7270/Q25B02VN |
More data for this Ligand-Target Pair | |