BDBM50106988 4-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-propylamino]-ethyl}-phenylamino)-piperidine-1-carboxylic acid (3-cyclopentyl-propyl)-amide::CHEMBL323258

SMILES: O[C@@H](CNCCc1ccc(NC2CCN(CC2)C(=O)NCCCC2CCCC2)cc1)COc1ccc(O)cc1

InChI Key: InChIKey=BHPUXRYSUZIAEJ-LJAQVGFWSA-N

Data: 2 EC50

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 2 hits for monomerid = 50106988   

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-1 adrenergic receptor (Homo sapiens (Human))	BDBM50106988 (4-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-propy...) Show SMILES O[C@@H](CNCCc1ccc(NC2CCN(CC2)C(=O)NCCCC2CCCC2)cc1)COc1ccc(O)cc1 Show InChI InChI=1S/C31H46N4O4/c36-28-11-13-30(14-12-28)39-23-29(37)22-32-19-15-25-7-9-26(10-8-25)34-27-16-20-35(21-17-27)31(38)33-18-3-6-24-4-1-2-5-24/h7-14,24,27,29,32,34,36-37H,1-6,15-23H2,(H,33,38)/t29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	187	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro agonistic activity assessed by measurement of cAMP accumulation level in CHO cells expressing human beta1-AR receptor				Bioorg Med Chem Lett 11: 3123-7 (2001) BindingDB Entry DOI: 10.7270/Q26D5S92
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50106988 (4-(4-{2-[(S)-2-Hydroxy-3-(4-hydroxy-phenoxy)-propy...) Show SMILES O[C@@H](CNCCc1ccc(NC2CCN(CC2)C(=O)NCCCC2CCCC2)cc1)COc1ccc(O)cc1 Show InChI InChI=1S/C31H46N4O4/c36-28-11-13-30(14-12-28)39-23-29(37)22-32-19-15-25-7-9-26(10-8-25)34-27-16-20-35(21-17-27)31(38)33-18-3-6-24-4-1-2-5-24/h7-14,24,27,29,32,34,36-37H,1-6,15-23H2,(H,33,38)/t29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	50	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro agonistic activity assessed by measurement of cAMP accumulation level in CHO cells expressing human beta3-AR receptor				Bioorg Med Chem Lett 11: 3123-7 (2001) BindingDB Entry DOI: 10.7270/Q26D5S92
					More data for this Ligand-Target Pair