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SMILES: Cl.CCOC(=O)COc1ccc2CC[C@@H](Cc2c1)NC[C@H](O)c1cccc(Cl)c1

InChI Key: InChIKey=NQIZCDQCNYCVAS-RQBPZYBGSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50212977   

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/Beta-2/Beta-3 adrenergic receptor (Rattus norvegicus (Rat))	BDBM50212977 (AMIBEGRON HYDROCHLORIDE | Amibegron HCl | SR-58611...) Show SMILES Cl.CCOC(=O)COc1ccc2CC[C@@H](Cc2c1)NC[C@H](O)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C22H26ClNO4.ClH/c1-2-27-22(26)14-28-20-9-7-15-6-8-19(11-17(15)12-20)24-13-21(25)16-4-3-5-18(23)10-16;/h3-5,7,9-10,12,19,21,24-25H,2,6,8,11,13-14H2,1H3;1H/t19-,21-;/m0./s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem		n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Beta-adrenergic agonistic activity in rat uterus preincubated with phenoxybenzamine (12 uM) for 30 min				Citation and Details BindingDB Entry DOI: 10.7270/Q2W09846
					More data for this Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor (Rattus norvegicus (Rat))	BDBM50212977 (AMIBEGRON HYDROCHLORIDE | Amibegron HCl | SR-58611...) Show SMILES Cl.CCOC(=O)COc1ccc2CC[C@@H](Cc2c1)NC[C@H](O)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C22H26ClNO4.ClH/c1-2-27-22(26)14-28-20-9-7-15-6-8-19(11-17(15)12-20)24-13-21(25)16-4-3-5-18(23)10-16;/h3-5,7,9-10,12,19,21,24-25H,2,6,8,11,13-14H2,1H3;1H/t19-,21-;/m0./s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem		n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Beta-adrenergic agonistic activity in rat proximal colon in presence of phentolamine (10 uM), desmethylimipramine (0.5 uM) and hydrocortisone (30 uM)				Citation and Details BindingDB Entry DOI: 10.7270/Q2W09846
					More data for this Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50212977 (AMIBEGRON HYDROCHLORIDE | Amibegron HCl | SR-58611...) Show SMILES Cl.CCOC(=O)COc1ccc2CC[C@@H](Cc2c1)NC[C@H](O)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C22H26ClNO4.ClH/c1-2-27-22(26)14-28-20-9-7-15-6-8-19(11-17(15)12-20)24-13-21(25)16-4-3-5-18(23)10-16;/h3-5,7,9-10,12,19,21,24-25H,2,6,8,11,13-14H2,1H3;1H/t19-,21-;/m0./s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem		n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
TBA					Assay Description Beta-adrenergic agonistic activity in guinea-pig atrium preincubated with phenoxybenzamine (12 uM) for 30 min				Citation and Details BindingDB Entry DOI: 10.7270/Q2W09846
					More data for this Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor (Rattus norvegicus (Rat))	BDBM50212977 (AMIBEGRON HYDROCHLORIDE | Amibegron HCl | SR-58611...) Show SMILES Cl.CCOC(=O)COc1ccc2CC[C@@H](Cc2c1)NC[C@H](O)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C22H26ClNO4.ClH/c1-2-27-22(26)14-28-20-9-7-15-6-8-19(11-17(15)12-20)24-13-21(25)16-4-3-5-18(23)10-16;/h3-5,7,9-10,12,19,21,24-25H,2,6,8,11,13-14H2,1H3;1H/t19-,21-;/m0./s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem		n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Beta-adrenergic agonistic activity in rat proximal colon				Citation and Details BindingDB Entry DOI: 10.7270/Q2W09846
					More data for this Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50212977 (AMIBEGRON HYDROCHLORIDE | Amibegron HCl | SR-58611...) Show SMILES Cl.CCOC(=O)COc1ccc2CC[C@@H](Cc2c1)NC[C@H](O)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C22H26ClNO4.ClH/c1-2-27-22(26)14-28-20-9-7-15-6-8-19(11-17(15)12-20)24-13-21(25)16-4-3-5-18(23)10-16;/h3-5,7,9-10,12,19,21,24-25H,2,6,8,11,13-14H2,1H3;1H/t19-,21-;/m0./s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem		n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
TBA					Assay Description Beta-adrenergic agonistic activity in guinea-pig atrium preincubated with phenoxybenzamine (12 uM) for 30 min				Citation and Details BindingDB Entry DOI: 10.7270/Q2W09846
					More data for this Ligand-Target Pair
Beta-1/Beta-2/Beta-3 adrenergic receptor (Rattus norvegicus (Rat))	BDBM50212977 (AMIBEGRON HYDROCHLORIDE | Amibegron HCl | SR-58611...) Show SMILES Cl.CCOC(=O)COc1ccc2CC[C@@H](Cc2c1)NC[C@H](O)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C22H26ClNO4.ClH/c1-2-27-22(26)14-28-20-9-7-15-6-8-19(11-17(15)12-20)24-13-21(25)16-4-3-5-18(23)10-16;/h3-5,7,9-10,12,19,21,24-25H,2,6,8,11,13-14H2,1H3;1H/t19-,21-;/m0./s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem		n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Beta-adrenergic agonistic activity in rat uterus preincubated with phenoxybenzamine (12 uM) for 30 min				Citation and Details BindingDB Entry DOI: 10.7270/Q2W09846
					More data for this Ligand-Target Pair