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SMILES: Cl.CCOC(=O)CCc1ccc2CCC(Cc2c1)NCC(O)c1cccc(Cl)c1

InChI Key: InChIKey=PWRYMMTWSPKRJD-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50212979   

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))	BDBM50212979 (CHEMBL543333) Show SMILES Cl.CCOC(=O)CCc1ccc2CCC(Cc2c1)NCC(O)c1cccc(Cl)c1 Show InChI InChI=1S/C23H28ClNO3.ClH/c1-2-28-23(27)11-7-16-6-8-17-9-10-21(14-19(17)12-16)25-15-22(26)18-4-3-5-20(24)13-18;/h3-6,8,12-13,21-22,25-26H,2,7,9-11,14-15H2,1H3;1H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem		n/a	n/a	21	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 (Rattus norvegicus (Rat))	BDBM50212979 (CHEMBL543333) Show SMILES Cl.CCOC(=O)CCc1ccc2CCC(Cc2c1)NCC(O)c1cccc(Cl)c1 Show InChI InChI=1S/C23H28ClNO3.ClH/c1-2-28-23(27)11-7-16-6-8-17-9-10-21(14-19(17)12-16)25-15-22(26)18-4-3-5-20(24)13-18;/h3-6,8,12-13,21-22,25-26H,2,7,9-11,14-15H2,1H3;1H	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem		n/a	n/a	350	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 (Homo sapiens (Human))	BDBM50212979 (CHEMBL543333) Show SMILES Cl.CCOC(=O)CCc1ccc2CCC(Cc2c1)NCC(O)c1cccc(Cl)c1 Show InChI InChI=1S/C23H28ClNO3.ClH/c1-2-28-23(27)11-7-16-6-8-17-9-10-21(14-19(17)12-16)25-15-22(26)18-4-3-5-20(24)13-18;/h3-6,8,12-13,21-22,25-26H,2,7,9-11,14-15H2,1H3;1H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL 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