BDBM50413481 CHEMBL474616::CHEMBL485847

SMILES: NS(=O)(=O)c1cccc(CCCOCCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1

InChI Key: InChIKey=IYAPTCLOOXJPNX-VWLOTQADSA-N

Data: 4 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 4 hits for monomerid = 50413481   

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-2 adrenergic receptor (Homo sapiens (Human))	BDBM50413481 (CHEMBL474616 | CHEMBL485847) Show SMILES NS(=O)(=O)c1cccc(CCCOCCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r| Show InChI InChI=1S/C25H38N2O6S/c26-34(31,32)23-10-6-8-20(16-23)9-7-15-33-14-5-3-1-2-4-13-27-18-25(30)21-11-12-24(29)22(17-21)19-28/h6,8,10-12,16-17,25,27-30H,1-5,7,9,13-15,18-19H2,(H2,26,31,32)/t25-/m0/s1	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	2.5	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Agonist activity at human cloned beta2 adrenergic receptor expressed in CHO cells assessed as induction of intracellular cAMP accumulation by beta-ga...				J Med Chem 52: 2280-8 (2009) Article DOI: 10.1021/jm801016j BindingDB Entry DOI: 10.7270/Q2ST7R2P
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (GUINEA PIG)	BDBM50413481 (CHEMBL474616 | CHEMBL485847) Show SMILES NS(=O)(=O)c1cccc(CCCOCCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r| Show InChI InChI=1S/C25H38N2O6S/c26-34(31,32)23-10-6-8-20(16-23)9-7-15-33-14-5-3-1-2-4-13-27-18-25(30)21-11-12-24(29)22(17-21)19-28/h6,8,10-12,16-17,25,27-30H,1-5,7,9,13-15,18-19H2,(H2,26,31,32)/t25-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.5	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Agonist activity at beta-1 adrenergic receptor in guinea pig trachea assessed as inhibition of electrical stimulation-induced muscle contraction				J Med Chem 52: 2280-8 (2009) Article DOI: 10.1021/jm801016j BindingDB Entry DOI: 10.7270/Q2ST7R2P
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50413481 (CHEMBL474616 | CHEMBL485847) Show SMILES NS(=O)(=O)c1cccc(CCCOCCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r| Show InChI InChI=1S/C25H38N2O6S/c26-34(31,32)23-10-6-8-20(16-23)9-7-15-33-14-5-3-1-2-4-13-27-18-25(30)21-11-12-24(29)22(17-21)19-28/h6,8,10-12,16-17,25,27-30H,1-5,7,9,13-15,18-19H2,(H2,26,31,32)/t25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	316	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Agonist activity at human cloned beta3 adrenergic receptor expressed in CHO cells assessed as induction of intracellular cAMP accumulation by beta-ga...				J Med Chem 52: 2280-8 (2009) Article DOI: 10.1021/jm801016j BindingDB Entry DOI: 10.7270/Q2ST7R2P
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50413481 (CHEMBL474616 | CHEMBL485847) Show SMILES NS(=O)(=O)c1cccc(CCCOCCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r| Show InChI InChI=1S/C25H38N2O6S/c26-34(31,32)23-10-6-8-20(16-23)9-7-15-33-14-5-3-1-2-4-13-27-18-25(30)21-11-12-24(29)22(17-21)19-28/h6,8,10-12,16-17,25,27-30H,1-5,7,9,13-15,18-19H2,(H2,26,31,32)/t25-/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	1.26E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cells assessed as induction of intracellular cAMP accumulation by beta-g...				J Med Chem 52: 2280-8 (2009) Article DOI: 10.1021/jm801016j BindingDB Entry DOI: 10.7270/Q2ST7R2P
					More data for this Ligand-Target Pair