BDBM50205509 (R,R)-(+)-ethyl {4-[2-{[2-(3-bromoisoxazol-5-yl)-2-hydroxyethyl]amino}propyl]phenoxy} acetate::CHEMBL226348

SMILES: CCOC(=O)COc1ccc(C[C@@H](C)NC[C@@H](O)c2cc(Br)no2)cc1

InChI Key: InChIKey=VRTDHXVWDVZYMD-IUODEOHRSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50205509   

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))	BDBM50205509 ((R,R)-(+)-ethyl {4-[2-{[2-(3-bromoisoxazol-5-yl)-2...) Show SMILES CCOC(=O)COc1ccc(C[C@@H](C)NC[C@@H](O)c2cc(Br)no2)cc1 Show InChI InChI=1S/C18H23BrN2O5/c1-3-24-18(23)11-25-14-6-4-13(5-7-14)8-12(2)20-10-15(22)16-9-17(19)21-26-16/h4-7,9,12,15,20,22H,3,8,10-11H2,1-2H3/t12-,15-/m1/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	81	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [125I]CYP from human adrenergic beta 2 receptor transfected in CHO cells in presence of 100 uM GTP				Bioorg Med Chem 15: 2533-43 (2007) Article DOI: 10.1016/j.bmc.2007.01.056 BindingDB Entry DOI: 10.7270/Q2765F04
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50205509 ((R,R)-(+)-ethyl {4-[2-{[2-(3-bromoisoxazol-5-yl)-2...) Show SMILES CCOC(=O)COc1ccc(C[C@@H](C)NC[C@@H](O)c2cc(Br)no2)cc1 Show InChI InChI=1S/C18H23BrN2O5/c1-3-24-18(23)11-25-14-6-4-13(5-7-14)8-12(2)20-10-15(22)16-9-17(19)21-26-16/h4-7,9,12,15,20,22H,3,8,10-11H2,1-2H3/t12-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.11E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [125I]CYP from human adrenergic beta 1 receptor transfected in CHO cells in presence of 100 uM GTP				Bioorg Med Chem 15: 2533-43 (2007) Article DOI: 10.1016/j.bmc.2007.01.056 BindingDB Entry DOI: 10.7270/Q2765F04
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50205509 ((R,R)-(+)-ethyl {4-[2-{[2-(3-bromoisoxazol-5-yl)-2...) Show SMILES CCOC(=O)COc1ccc(C[C@@H](C)NC[C@@H](O)c2cc(Br)no2)cc1 Show InChI InChI=1S/C18H23BrN2O5/c1-3-24-18(23)11-25-14-6-4-13(5-7-14)8-12(2)20-10-15(22)16-9-17(19)21-26-16/h4-7,9,12,15,20,22H,3,8,10-11H2,1-2H3/t12-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.18E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Milano Curated by ChEMBL					Assay Description Displacement of [125I]CYP from human adrenergic beta 3 receptor transfected in CHO cells in presence of 100 uM GTP				Bioorg Med Chem 15: 2533-43 (2007) Article DOI: 10.1016/j.bmc.2007.01.056 BindingDB Entry DOI: 10.7270/Q2765F04
					More data for this Ligand-Target Pair