BDBM50018593 CHEMBL3290974

SMILES: OCc1cc(ccc1O)C(O)CNCCc1ccc(cc1)N1CCC(CC1)c1ccccc1

InChI Key: InChIKey=SEDNZGDHRYJVMY-UHFFFAOYSA-N

Data: 2 KI  1 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 3 hits for monomerid = 50018593   

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))	BDBM50018593 (CHEMBL3290974) Show SMILES OCc1cc(ccc1O)C(O)CNCCc1ccc(cc1)N1CCC(CC1)c1ccccc1 Show InChI InChI=1S/C28H34N2O3/c31-20-25-18-24(8-11-27(25)32)28(33)19-29-15-12-21-6-9-26(10-7-21)30-16-13-23(14-17-30)22-4-2-1-3-5-22/h1-11,18,23,28-29,31-33H,12-17,19-20H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]dihydroalprenolol from beta1 receptor (unknown origin) by liquid scintillation counting and cell based assay				Bioorg Med Chem Lett 24: 2625-30 (2014) Article DOI: 10.1016/j.bmcl.2014.04.069 BindingDB Entry DOI: 10.7270/Q2M32X96
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50018593 (CHEMBL3290974) Show SMILES OCc1cc(ccc1O)C(O)CNCCc1ccc(cc1)N1CCC(CC1)c1ccccc1 Show InChI InChI=1S/C28H34N2O3/c31-20-25-18-24(8-11-27(25)32)28(33)19-29-15-12-21-6-9-26(10-7-21)30-16-13-23(14-17-30)22-4-2-1-3-5-22/h1-11,18,23,28-29,31-33H,12-17,19-20H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]dihydroalprenolol from beta2 receptor (unknown origin) by liquid scintillation counting and cell based assay				Bioorg Med Chem Lett 24: 2625-30 (2014) Article DOI: 10.1016/j.bmcl.2014.04.069 BindingDB Entry DOI: 10.7270/Q2M32X96
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50018593 (CHEMBL3290974) Show SMILES OCc1cc(ccc1O)C(O)CNCCc1ccc(cc1)N1CCC(CC1)c1ccccc1 Show InChI InChI=1S/C28H34N2O3/c31-20-25-18-24(8-11-27(25)32)28(33)19-29-15-12-21-6-9-26(10-7-21)30-16-13-23(14-17-30)22-4-2-1-3-5-22/h1-11,18,23,28-29,31-33H,12-17,19-20H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	398	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Agonist activity at human recombinant beta2 receptor assessed as cAMP accumulation by radioimmunoassay and cell based assay				Bioorg Med Chem Lett 24: 2625-30 (2014) Article DOI: 10.1016/j.bmcl.2014.04.069 BindingDB Entry DOI: 10.7270/Q2M32X96
					More data for this Ligand-Target Pair