BDBM50295572 5-(1-Hydroxy-2-isopropylamino-ethyl)-benzene-1,3-diol::5-{1-hydroxy-2-[(propan-2-yl)amino]ethyl}benzene-1,3-diol, 6::Alupent::CHEMBL776::METAPROTERENOL::Orciprenaline::Prometa::[2-(3,5-Dihydroxy-phenyl)-2-hydroxy-ethyl]-isopropyl-ammonium::[2-(3,5-Dihydroxy-phenyl)-2-hydroxy-ethyl]-isopropyl-ammonium (orciprenaline)

SMILES: CC(C)NCC(O)c1cc(O)cc(O)c1

InChI Key: InChIKey=LMOINURANNBYCM-UHFFFAOYSA-N

Data: 1 IC50  5 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 = 50295572   

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-adrenergic receptor kinase 1 (Homo sapiens (Human))	BDBM50295572 (5-(1-Hydroxy-2-isopropylamino-ethyl)-benzene-1,3-d...) Show SMILES CC(C)NCC(O)c1cc(O)cc(O)c1 Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-9(13)5-10(14)4-8/h3-5,7,11-15H,6H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a
Merck, Sharp, and Dohme Research Laboratories					Assay Description The binding of ligands to wild-type beta-AR was measured by competition with 35 pM 125I-CYP.				J Biol Chem 264: 13572-8 (1989) BindingDB Entry DOI: 10.7270/Q29G5KDJ
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50295572 (5-(1-Hydroxy-2-isopropylamino-ethyl)-benzene-1,3-d...) Show SMILES CC(C)NCC(O)c1cc(O)cc(O)c1 Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-9(13)5-10(14)4-8/h3-5,7,11-15H,6H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	n/a	4.81E+3	n/a	n/a	n/a	n/a	n/a
Instituto Polit£cnico Nacional Curated by ChEMBL					Assay Description Binding affinity to human adrenergic beta2 receptor				Eur J Med Chem 44: 2840-6 (2009) Article DOI: 10.1016/j.ejmech.2008.12.016 BindingDB Entry DOI: 10.7270/Q2FQ9XJN
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50295572 (5-(1-Hydroxy-2-isopropylamino-ethyl)-benzene-1,3-d...) Show SMILES CC(C)NCC(O)c1cc(O)cc(O)c1 Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-9(13)5-10(14)4-8/h3-5,7,11-15H,6H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	n/a	501	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Binding affinity to beta-2 adrenergic receptor (unknown origin) at 1 to 10000 nM				Bioorg Med Chem Lett 23: 5376-81 (2013) Article DOI: 10.1016/j.bmcl.2013.07.052 BindingDB Entry DOI: 10.7270/Q2F76GHV
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (BOVINE)	BDBM50295572 (5-(1-Hydroxy-2-isopropylamino-ethyl)-benzene-1,3-d...) Show SMILES CC(C)NCC(O)c1cc(O)cc(O)c1 Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-9(13)5-10(14)4-8/h3-5,7,11-15H,6H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	4.27E+3	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
Bile salt export pump (Homo sapiens (Human))	BDBM50295572 (5-(1-Hydroxy-2-isopropylamino-ethyl)-benzene-1,3-d...) Show SMILES CC(C)NCC(O)c1cc(O)cc(O)c1 Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-9(13)5-10(14)4-8/h3-5,7,11-15H,6H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibitory affect against rabbit thymus thymidine kinase and represented as molt/4F kinase.				Drug Metab Dispos 40: 2332-41 (2012) Article DOI: 10.1124/dmd.112.047068 BindingDB Entry DOI: 10.7270/Q2ZP488M
					More data for this Ligand-Target Pair
ADRB2 (BOVINE)	BDBM50295572 (5-(1-Hydroxy-2-isopropylamino-ethyl)-benzene-1,3-d...) Show SMILES CC(C)NCC(O)c1cc(O)cc(O)c1 Show InChI InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-9(13)5-10(14)4-8/h3-5,7,11-15H,6H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	9.12E+3	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