Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 441.8 BDBM50289568

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 hits in this display   

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-3 adrenergic receptor (Homo sapiens (Human))	BDBM50289568 ((4-{(R)-2-[(R)-2-(3-Chloro-phenyl)-2-hydroxy-ethyl...) Show SMILES CC(C)OP(O)(=O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1 Show InChI InChI=1S/C21H29ClNO5P/c1-15(2)28-29(25,26)14-27-20-9-7-17(8-10-20)11-16(3)23-13-21(24)18-5-4-6-19(22)12-18/h4-10,12,15-16,21,23-24H,11,13-14H2,1-3H3,(H,25,26)/t16-,21+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.88E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to bind to human Beta-3 adrenergic receptor using membranes of stably transfected CHO cells				Bioorg Med Chem Lett 7: 1583-1588 (1997) Article DOI: 10.1016/S0960-894X(97)00266-7 BindingDB Entry DOI: 10.7270/Q24749VQ
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50289568 ((4-{(R)-2-[(R)-2-(3-Chloro-phenyl)-2-hydroxy-ethyl...) Show SMILES CC(C)OP(O)(=O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1 Show InChI InChI=1S/C21H29ClNO5P/c1-15(2)28-29(25,26)14-27-20-9-7-17(8-10-20)11-16(3)23-13-21(24)18-5-4-6-19(22)12-18/h4-10,12,15-16,21,23-24H,11,13-14H2,1-3H3,(H,25,26)/t16-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	4.26E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to bind to human Beta-2 adrenergic receptor using membranes of stably transfected CHO cells				Bioorg Med Chem Lett 7: 1583-1588 (1997) Article DOI: 10.1016/S0960-894X(97)00266-7 BindingDB Entry DOI: 10.7270/Q24749VQ
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50289568 ((4-{(R)-2-[(R)-2-(3-Chloro-phenyl)-2-hydroxy-ethyl...) Show SMILES CC(C)OP(O)(=O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1 Show InChI InChI=1S/C21H29ClNO5P/c1-15(2)28-29(25,26)14-27-20-9-7-17(8-10-20)11-16(3)23-13-21(24)18-5-4-6-19(22)12-18/h4-10,12,15-16,21,23-24H,11,13-14H2,1-3H3,(H,25,26)/t16-,21+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.39E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to bind to human Beta-1 adrenergic receptor using membranes of stably transfected CHO cells				Bioorg Med Chem Lett 7: 1583-1588 (1997) Article DOI: 10.1016/S0960-894X(97)00266-7 BindingDB Entry DOI: 10.7270/Q24749VQ
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50289568 ((4-{(R)-2-[(R)-2-(3-Chloro-phenyl)-2-hydroxy-ethyl...) Show SMILES CC(C)OP(O)(=O)COc1ccc(C[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1 Show InChI InChI=1S/C21H29ClNO5P/c1-15(2)28-29(25,26)14-27-20-9-7-17(8-10-20)11-16(3)23-13-21(24)18-5-4-6-19(22)12-18/h4-10,12,15-16,21,23-24H,11,13-14H2,1-3H3,(H,25,26)/t16-,21+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	n/a	610	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Effective concentration for stimulation of adenylyl cyclase activity in CHO-beta3 AR expressing cell membranes				Bioorg Med Chem Lett 7: 1583-1588 (1997) Article DOI: 10.1016/S0960-894X(97)00266-7 BindingDB Entry DOI: 10.7270/Q24749VQ
					More data for this Ligand-Target Pair