Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta-2 adrenergic receptor' and Ligand = 'BDBM50167072'   

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))	BDBM50167072 (CHEMBL3799125) Show SMILES COc1ccccc1OCCNC[C@H](O)COc1cccc2[nH]c3ccccc3c12 |r| Show InChI InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	0.0300	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))	BDBM50167072 (CHEMBL3799125) Show SMILES COc1ccccc1OCCNC[C@H](O)COc1cccc2[nH]c3ccccc3c12 |r| Show InChI InChI=1S/C24H26N2O4/c1-28-21-10-4-5-11-22(21)29-14-13-25-15-17(27)16-30-23-12-6-9-20-24(23)18-7-2-3-8-19(18)26-20/h2-12,17,25-27H,13-16H2,1H3/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	0.0340	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