Found 5 hits for monomerid = 50419668 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)) | 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 MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.501 | 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)) | 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 | 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 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)) | 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-2 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 MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD 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 |
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 | |
D(2) dopamine 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 | 251 | 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 | |