Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Beta-2 adrenergic receptor' and Ligand = 'BDBM50167064'   

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-2 adrenergic receptor (Homo sapiens (Human))	BDBM50167064 (CHEMBL3797876) Show SMILES COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C17H21NO5/c1-22-16-4-2-3-5-17(16)23-9-8-18-11-15(21)12-6-7-13(19)14(20)10-12/h2-7,10,15,18-21H,8-9,11H2,1H3/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	97	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg (FAU) Curated by ChEMBL					Assay Description Displacement of [3H]-CGP-12177 from human beta2-adrenergic receptor expressed in CHO cells after 60 mins by radioligand competition binding assay				J Med Chem 62: 5111-5131 (2019) Article DOI: 10.1021/acs.jmedchem.9b00349 BindingDB Entry DOI: 10.7270/Q2DZ0CRD
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50167064 (CHEMBL3797876) Show SMILES COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C17H21NO5/c1-22-16-4-2-3-5-17(16)23-9-8-18-11-15(21)12-6-7-13(19)14(20)10-12/h2-7,10,15,18-21H,8-9,11H2,1H3/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	97	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Alexander University Curated by ChEMBL					Assay Description Displacement of [3H]CGP12177 from human beta2 receptor expressed in CHO cells				Bioorg Med Chem 24: 2641-53 (2016) Article DOI: 10.1016/j.bmc.2016.04.028 BindingDB Entry DOI: 10.7270/Q2ZC84S3
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50167064 (CHEMBL3797876) Show SMILES COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C17H21NO5/c1-22-16-4-2-3-5-17(16)23-9-8-18-11-15(21)12-6-7-13(19)14(20)10-12/h2-7,10,15,18-21H,8-9,11H2,1H3/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	120	n/a	n/a	n/a	n/a
Friedrich-Alexander University Curated by ChEMBL					Assay Description Agonist activity at human beta2 receptor expressed in HEK293 cells cotransfected with Gqs5 protein assessed as [3H]IP3 accumulation after 120 mins by...				Bioorg Med Chem 24: 2641-53 (2016) Article DOI: 10.1016/j.bmc.2016.04.028 BindingDB Entry DOI: 10.7270/Q2ZC84S3
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50167064 (CHEMBL3797876) Show SMILES COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C17H21NO5/c1-22-16-4-2-3-5-17(16)23-9-8-18-11-15(21)12-6-7-13(19)14(20)10-12/h2-7,10,15,18-21H,8-9,11H2,1H3/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	269	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg (FAU) Curated by ChEMBL					Assay Description Agonist activity at beta2-adrenergic receptor (unknown origin) expressed in HEK293T cells harboring GFP/Rluc2-tagged beta-arrestin2 assessed as incre...				J Med Chem 62: 5111-5131 (2019) Article DOI: 10.1021/acs.jmedchem.9b00349 BindingDB Entry DOI: 10.7270/Q2DZ0CRD
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50167064 (CHEMBL3797876) Show SMILES COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C17H21NO5/c1-22-16-4-2-3-5-17(16)23-9-8-18-11-15(21)12-6-7-13(19)14(20)10-12/h2-7,10,15,18-21H,8-9,11H2,1H3/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg (FAU) Curated by ChEMBL					Assay Description Agonist activity at beta2-adrenergic receptor (unknown origin) expressed in HEK293T cells harboring GFP/Rluc2-tagged beta-arrestin2 assessed as incre...				J Med Chem 62: 5111-5131 (2019) Article DOI: 10.1021/acs.jmedchem.9b00349 BindingDB Entry DOI: 10.7270/Q2DZ0CRD
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50167064 (CHEMBL3797876) Show SMILES COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C17H21NO5/c1-22-16-4-2-3-5-17(16)23-9-8-18-11-15(21)12-6-7-13(19)14(20)10-12/h2-7,10,15,18-21H,8-9,11H2,1H3/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	63	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg (FAU) Curated by ChEMBL					Assay Description Agonist activity at beta2-adrenergic receptor (unknown origin) expressed in HEK293T cells harboring Rluc2-117-GalphaS/GFP10-Ggamma/Gbeta1 assessed as...				J Med Chem 62: 5111-5131 (2019) Article DOI: 10.1021/acs.jmedchem.9b00349 BindingDB Entry DOI: 10.7270/Q2DZ0CRD
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50167064 (CHEMBL3797876) Show SMILES COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C17H21NO5/c1-22-16-4-2-3-5-17(16)23-9-8-18-11-15(21)12-6-7-13(19)14(20)10-12/h2-7,10,15,18-21H,8-9,11H2,1H3/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	158	n/a	n/a	n/a	n/a
Friedrich-Alexander University Erlangen-N£rnberg (FAU) Curated by ChEMBL					Assay Description Agonist activity at beta2-adrenergic receptor (unknown origin) expressed in HEK293T cells harboring GFP/Rluc2-tagged beta-arrestin2 assessed as incre...				J Med Chem 62: 5111-5131 (2019) Article DOI: 10.1021/acs.jmedchem.9b00349 BindingDB Entry DOI: 10.7270/Q2DZ0CRD
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50167064 (CHEMBL3797876) Show SMILES COc1ccccc1OCCNC[C@H](O)c1ccc(O)c(O)c1 |r| Show InChI InChI=1S/C17H21NO5/c1-22-16-4-2-3-5-17(16)23-9-8-18-11-15(21)12-6-7-13(19)14(20)10-12/h2-7,10,15,18-21H,8-9,11H2,1H3/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	210	n/a	n/a	n/a	n/a
Friedrich-Alexander University Curated by ChEMBL					Assay Description Agonist activity at PK-tagged beta2 receptor (unknown origin) transfected in HEK293 cells after 90 mins by beta-arrestin assay				Bioorg Med Chem 24: 2641-53 (2016) Article DOI: 10.1016/j.bmc.2016.04.028 BindingDB Entry DOI: 10.7270/Q2ZC84S3
					More data for this Ligand-Target Pair