BDBM50169785 (2-Hydroxy-3-phenoxy-propyl)-isopropyl-ammonium::(2-hydroxy-3-phenoxypropyl)(propan-2-yl)amine::1-Isopropylamino-3-phenoxy-propan-2-ol::CHEMBL7154

SMILES: CC(C)NCC(O)COc1ccccc1

InChI Key: InChIKey=ONXLHKFGTDDVLQ-UHFFFAOYSA-N

Data: 1 KI  1 IC50  4 Kd

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 6 hits for monomerid = 50169785   

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
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat))	BDBM50169785 ((2-Hydroxy-3-phenoxy-propyl)-isopropyl-ammonium | ...) Show SMILES CC(C)NCC(O)COc1ccccc1 Show InChI InChI=1S/C12H19NO2/c1-10(2)13-8-11(14)9-15-12-6-4-3-5-7-12/h3-7,10-11,13-14H,8-9H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lausanne Curated by ChEMBL					Assay Description Binding affinity of a compound to rat brain 5-hydroxytryptamine 1A (serotonin) receptor assayed by radiolabeled [3H]-8-OH-DPAT ligand displacement				J Med Chem 39: 126-34 (1996) Article DOI: 10.1021/jm950410b BindingDB Entry DOI: 10.7270/Q2VX0K7V
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50169785 ((2-Hydroxy-3-phenoxy-propyl)-isopropyl-ammonium | ...) Show SMILES CC(C)NCC(O)COc1ccccc1 Show InChI InChI=1S/C12H19NO2/c1-10(2)13-8-11(14)9-15-12-6-4-3-5-7-12/h3-7,10-11,13-14H,8-9H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory activity against recombinant human Cytochrome P450 2D6 (CYP2D6) after incubated for 45 minutes				Bioorg Med Chem Lett 15: 3816-20 (2005) Article DOI: 10.1016/j.bmcl.2005.06.007 BindingDB Entry DOI: 10.7270/Q2WS8SSG
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (GUINEA PIG)	BDBM50169785 ((2-Hydroxy-3-phenoxy-propyl)-isopropyl-ammonium | ...) Show SMILES CC(C)NCC(O)COc1ccccc1 Show InChI InChI=1S/C12H19NO2/c1-10(2)13-8-11(14)9-15-12-6-4-3-5-7-12/h3-7,10-11,13-14H,8-9H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	13.8	n/a	n/a	n/a	n/a	n/a
Universidad de Barcelona Curated by ChEMBL					Assay Description Antagonism of isoprenaline-induced relaxation of guinea pig tracheal chains, contracted with carbachol				J Med Chem 31: 2122-6 (1988) BindingDB Entry DOI: 10.7270/Q2J67J4Q
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (BOVINE)	BDBM50169785 ((2-Hydroxy-3-phenoxy-propyl)-isopropyl-ammonium | ...) Show SMILES CC(C)NCC(O)COc1ccccc1 Show InChI InChI=1S/C12H19NO2/c1-10(2)13-8-11(14)9-15-12-6-4-3-5-7-12/h3-7,10-11,13-14H,8-9H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Affinity for cow beta-2 adrenergic receptor by measuring displacement (-)-[3H]dihydroalprenolol (DHA)				J Med Chem 28: 1328-34 (1985) BindingDB Entry DOI: 10.7270/Q2HX1DZG
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (GUINEA PIG)	BDBM50169785 ((2-Hydroxy-3-phenoxy-propyl)-isopropyl-ammonium | ...) Show SMILES CC(C)NCC(O)COc1ccccc1 Show InChI InChI=1S/C12H19NO2/c1-10(2)13-8-11(14)9-15-12-6-4-3-5-7-12/h3-7,10-11,13-14H,8-9H2,1-2H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a
Universidad de Barcelona Curated by ChEMBL					Assay Description Beta-1 adrenergic receptor activitation measured by isoprenaline-induced positive inotropic effect in guinea pig left atrium				J Med Chem 31: 2122-6 (1988) BindingDB Entry DOI: 10.7270/Q2J67J4Q
					More data for this Ligand-Target Pair
ADRB2 (BOVINE)	BDBM50169785 ((2-Hydroxy-3-phenoxy-propyl)-isopropyl-ammonium | ...) Show SMILES CC(C)NCC(O)COc1ccccc1 Show InChI InChI=1S/C12H19NO2/c1-10(2)13-8-11(14)9-15-12-6-4-3-5-7-12/h3-7,10-11,13-14H,8-9H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	5.37E+4	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Affinity for cow beta-2 adrenergic receptor by measuring displacement (-)-[3H]dihydroalprenolol (DHA)				J Med Chem 28: 1328-34 (1985) BindingDB Entry DOI: 10.7270/Q2HX1DZG
					More data for this Ligand-Target Pair