Found 5 hits for monomerid = 50419684 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-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50419684
(CHEMBL1945044)Show SMILES COc1cccc(CNCc2cccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)sc34)c2)c1 |r| Show InChI InChI=1S/C26H29N3O4S/c1-33-20-7-3-6-19(13-20)15-28-14-18-5-2-4-17(12-18)10-11-27-16-23(31)21-8-9-22(30)24-25(21)34-26(32)29-24/h2-9,12-13,23,27-28,30-31H,10-11,14-16H2,1H3,(H,29,32)/t23-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| 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 recombinant beta2 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-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50419684
(CHEMBL1945044)Show SMILES COc1cccc(CNCc2cccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)sc34)c2)c1 |r| Show InChI InChI=1S/C26H29N3O4S/c1-33-20-7-3-6-19(13-20)15-28-14-18-5-2-4-17(12-18)10-11-27-16-23(31)21-8-9-22(30)24-25(21)34-26(32)29-24/h2-9,12-13,23,27-28,30-31H,10-11,14-16H2,1H3,(H,29,32)/t23-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 1 | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Agonist activity at human beta2 adrenoceptor expressed in H292 cells assessed as increase in cAMP accumulation after 60 mins by spectrophotometry |
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 | |
Alpha-1D adrenergic receptor
(Homo sapiens (Human)) | BDBM50419684
(CHEMBL1945044)Show SMILES COc1cccc(CNCc2cccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)sc34)c2)c1 |r| Show InChI InChI=1S/C26H29N3O4S/c1-33-20-7-3-6-19(13-20)15-28-14-18-5-2-4-17(12-18)10-11-27-16-23(31)21-8-9-22(30)24-25(21)34-26(32)29-24/h2-9,12-13,23,27-28,30-31H,10-11,14-16H2,1H3,(H,29,32)/t23-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Binding affinity to Alpha-1D adrenoceptor expressed in HEK cells by calcium flux assay |
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)) | BDBM50419684
(CHEMBL1945044)Show SMILES COc1cccc(CNCc2cccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)sc34)c2)c1 |r| Show InChI InChI=1S/C26H29N3O4S/c1-33-20-7-3-6-19(13-20)15-28-14-18-5-2-4-17(12-18)10-11-27-16-23(31)21-8-9-22(30)24-25(21)34-26(32)29-24/h2-9,12-13,23,27-28,30-31H,10-11,14-16H2,1H3,(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 | 63 | 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 | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50419684
(CHEMBL1945044)Show SMILES COc1cccc(CNCc2cccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)sc34)c2)c1 |r| Show InChI InChI=1S/C26H29N3O4S/c1-33-20-7-3-6-19(13-20)15-28-14-18-5-2-4-17(12-18)10-11-27-16-23(31)21-8-9-22(30)24-25(21)34-26(32)29-24/h2-9,12-13,23,27-28,30-31H,10-11,14-16H2,1H3,(H,29,32)/t23-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 794 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Binding affinity to dopamine D2 receptor expressed in HEK cells by GTPgammaS binding assay |
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 | |