Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 473.6 BDBM50419309

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

Found 4 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-2 adrenergic receptor (Homo sapiens (Human))	BDBM50419309 (CHEMBL1835853) Show SMILES NC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r| Show InChI InChI=1S/C26H39N3O5/c27-26(33)29-23-10-7-9-20(16-23)8-3-6-15-34-14-5-2-1-4-13-28-18-25(32)21-11-12-24(31)22(17-21)19-30/h7,9-12,16-17,25,28,30-32H,1-6,8,13-15,18-19H2,(H3,27,29,33)/t25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.794	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Agonist activity at human beta2 receptor expressed in CHO cells assessed as cAMP accumulation				Bioorg Med Chem 19: 6026-32 (2011) Article DOI: 10.1016/j.bmc.2011.08.043 BindingDB Entry DOI: 10.7270/Q2DB833D
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (GUINEA PIG)	BDBM50419309 (CHEMBL1835853) Show SMILES NC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r| Show InChI InChI=1S/C26H39N3O5/c27-26(33)29-23-10-7-9-20(16-23)8-3-6-15-34-14-5-2-1-4-13-28-18-25(32)21-11-12-24(31)22(17-21)19-30/h7,9-12,16-17,25,28,30-32H,1-6,8,13-15,18-19H2,(H3,27,29,33)/t25-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD 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 beta2 adrenergic receptor in guinea pig tracheal strip assessed as inhibition of electrically-induced bronchocontractile response				Bioorg Med Chem 19: 6026-32 (2011) Article DOI: 10.1016/j.bmc.2011.08.043 BindingDB Entry DOI: 10.7270/Q2DB833D
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50419309 (CHEMBL1835853) Show SMILES NC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r| Show InChI InChI=1S/C26H39N3O5/c27-26(33)29-23-10-7-9-20(16-23)8-3-6-15-34-14-5-2-1-4-13-28-18-25(32)21-11-12-24(31)22(17-21)19-30/h7,9-12,16-17,25,28,30-32H,1-6,8,13-15,18-19H2,(H3,27,29,33)/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	7.90	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Agonist activity at human beta3 receptor expressed in CHO cells assessed as cAMP accumulation				Bioorg Med Chem 19: 6026-32 (2011) Article DOI: 10.1016/j.bmc.2011.08.043 BindingDB Entry DOI: 10.7270/Q2DB833D
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50419309 (CHEMBL1835853) Show SMILES NC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |r| Show InChI InChI=1S/C26H39N3O5/c27-26(33)29-23-10-7-9-20(16-23)8-3-6-15-34-14-5-2-1-4-13-28-18-25(32)21-11-12-24(31)22(17-21)19-30/h7,9-12,16-17,25,28,30-32H,1-6,8,13-15,18-19H2,(H3,27,29,33)/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	63	n/a	n/a	n/a	n/a
GlaxoSmithKline Medicines Research Centre Curated by ChEMBL					Assay Description Agonist activity at human beta1 receptor expressed in CHO cells assessed as cAMP accumulation				Bioorg Med Chem 19: 6026-32 (2011) Article DOI: 10.1016/j.bmc.2011.08.043 BindingDB Entry DOI: 10.7270/Q2DB833D
					More data for this Ligand-Target Pair