Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 475.5 BDBM50243541

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-3 adrenergic receptor (Homo sapiens (Human))	BDBM50243541 (3-(Cyclohexyloxy)-4-(2-{[(2R)-2-hydroxy-2-phenylet...) Show SMILES O[C@@H](CNCCOc1ccc(cc1)-c1ccc(C(O)=O)c(OC2CCCCC2)c1)c1ccccc1 |r| Show InChI InChI=1S/C29H33NO5/c31-27(22-7-3-1-4-8-22)20-30-17-18-34-24-14-11-21(12-15-24)23-13-16-26(29(32)33)28(19-23)35-25-9-5-2-6-10-25/h1,3-4,7-8,11-16,19,25,27,30-31H,2,5-6,9-10,17-18,20H2,(H,32,33)/t27-/m0/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	0.160	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
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50243541 (3-(Cyclohexyloxy)-4-(2-{[(2R)-2-hydroxy-2-phenylet...) Show SMILES O[C@@H](CNCCOc1ccc(cc1)-c1ccc(C(O)=O)c(OC2CCCCC2)c1)c1ccccc1 |r| Show InChI InChI=1S/C29H33NO5/c31-27(22-7-3-1-4-8-22)20-30-17-18-34-24-14-11-21(12-15-24)23-13-16-26(29(32)33)28(19-23)35-25-9-5-2-6-10-25/h1,3-4,7-8,11-16,19,25,27,30-31H,2,5-6,9-10,17-18,20H2,(H,32,33)/t27-/m0/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	91	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