BDBM50419702 CHEMBL1945038
SMILES: O[C@@H](CNCCc1cccc(CNCCCc2ccccn2)c1)c1ccc(O)c2[nH]c(=O)sc12
InChI Key: InChIKey=IUPSVOSSHSTCNC-QHCPKHFHSA-N
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)) | BDBM50419702 (CHEMBL1945038) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 0.501 | 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)) | BDBM50419702 (CHEMBL1945038) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank 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 | |||||||||||||
D(2) dopamine receptor (Homo sapiens (Human)) | BDBM50419702 (CHEMBL1945038) | PDB Reactome pathway KEGG DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | <2.51E+3 | 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 | |||||||||||||
Alpha-1D adrenergic receptor (Homo sapiens (Human)) | BDBM50419702 (CHEMBL1945038) | Reactome pathway KEGG DrugBank 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 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)) | BDBM50419702 (CHEMBL1945038) | PDB Reactome pathway KEGG DrugBank 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 |