Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 449.5 BDBM50243300

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

Found 2 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-1 adrenergic receptor (Homo sapiens (Human))	BDBM50243300 (4-((2S)-3-Hydroxy-2-{[(2R)-2-hydroxy-2-phenylethyl...) Show SMILES CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(C[C@H](CO)NC[C@H](O)c2ccccc2)cc1 |r| Show InChI InChI=1S/C27H31NO5/c1-18(2)33-26-15-22(12-13-24(26)27(31)32)20-10-8-19(9-11-20)14-23(17-29)28-16-25(30)21-6-4-3-5-7-21/h3-13,15,18,23,25,28-30H,14,16-17H2,1-2H3,(H,31,32)/t23-,25+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Agonist activity at human recombinant beta-1 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay				J Med Chem 51: 4002-20 (2008) Article DOI: 10.1021/jm8000345 BindingDB Entry DOI: 10.7270/Q2MS3SKD
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50243300 (4-((2S)-3-Hydroxy-2-{[(2R)-2-hydroxy-2-phenylethyl...) Show SMILES CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(C[C@H](CO)NC[C@H](O)c2ccccc2)cc1 |r| Show InChI InChI=1S/C27H31NO5/c1-18(2)33-26-15-22(12-13-24(26)27(31)32)20-10-8-19(9-11-20)14-23(17-29)28-16-25(30)21-6-4-3-5-7-21/h3-13,15,18,23,25,28-30H,14,16-17H2,1-2H3,(H,31,32)/t23-,25+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.40	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Agonist activity at human recombinant beta3 adrenergic receptor expressed in CHO cells assessed as cAMP accumulation by enzyme immuno assay				J Med Chem 51: 4002-20 (2008) Article DOI: 10.1021/jm8000345 BindingDB Entry DOI: 10.7270/Q2MS3SKD
					More data for this Ligand-Target Pair