BDBM50213109 (R,S)-(-)-5-[1-hydroxy-2-(1-methylhexylamino)ethyl]-1,3-benzenediol::CHEMBL229615::US10617654, Compound (R,S)-6

SMILES: CCCC[C@H](C)NC[C@H](O)c1cc(O)cc(O)c1

InChI Key: InChIKey=HJBVVZKHZKVCCY-HZMBPMFUSA-N

Data: 4 KI  1 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 5 hits for monomerid = 50213109   

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-2 adrenergic receptor (Homo sapiens (Human))	BDBM50213109 ((R,S)-(-)-5-[1-hydroxy-2-(1-methylhexylamino)ethyl...) Show SMILES CCCC[C@H](C)NC[C@H](O)c1cc(O)cc(O)c1 Show InChI InChI=1S/C14H23NO3/c1-3-4-5-10(2)15-9-14(18)11-6-12(16)8-13(17)7-11/h6-8,10,14-18H,3-5,9H2,1-2H3/t10-,14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Lublin Curated by ChEMBL					Assay Description Displacement of [3H]CGP12177 from human beta-2 adrenergic receptor expressed in HEK293 cells				J Med Chem 50: 2903-15 (2007) Article DOI: 10.1021/jm070030d BindingDB Entry DOI: 10.7270/Q2R2112T
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Rattus norvegicus (Rat))	BDBM50213109 ((R,S)-(-)-5-[1-hydroxy-2-(1-methylhexylamino)ethyl...) Show SMILES CCCC[C@H](C)NC[C@H](O)c1cc(O)cc(O)c1 Show InChI InChI=1S/C14H23NO3/c1-3-4-5-10(2)15-9-14(18)11-6-12(16)8-13(17)7-11/h6-8,10,14-18H,3-5,9H2,1-2H3/t10-,14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Lublin Curated by ChEMBL					Assay Description Displacement of [3H]CGP-12177 from beta-1 adrenergic receptor in Sprague-Dawley rat cortical membrane				J Med Chem 50: 2903-15 (2007) Article DOI: 10.1021/jm070030d BindingDB Entry DOI: 10.7270/Q2R2112T
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50213109 ((R,S)-(-)-5-[1-hydroxy-2-(1-methylhexylamino)ethyl...) Show SMILES CCCC[C@H](C)NC[C@H](O)c1cc(O)cc(O)c1 Show InChI InChI=1S/C14H23NO3/c1-3-4-5-10(2)15-9-14(18)11-6-12(16)8-13(17)7-11/h6-8,10,14-18H,3-5,9H2,1-2H3/t10-,14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	3.14E+7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The USA, as represented by the Secretary, Department of Health and Human Services; SRI International US Patent					Assay Description HEK 293 cells stability transfected with cDNA encoding human β2-AR (provided by Dr. Brian Kobilka, Stanford Medical Center, Palo Alto, Calif.) w...				US Patent US10617654 (2020)
					More data for this Ligand-Target Pair
Beta-1 adrenergic recepto (Mus musculus)	BDBM50213109 ((R,S)-(-)-5-[1-hydroxy-2-(1-methylhexylamino)ethyl...) Show SMILES CCCC[C@H](C)NC[C@H](O)c1cc(O)cc(O)c1 Show InChI InChI=1S/C14H23NO3/c1-3-4-5-10(2)15-9-14(18)11-6-12(16)8-13(17)7-11/h6-8,10,14-18H,3-5,9H2,1-2H3/t10-,14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	>1.00E+8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The USA, as represented by the Secretary, Department of Health and Human Services; SRI International US Patent					Assay Description β1-AR binding was done on rat cortical membrane following a previously described procedure (Beer et al., Biochem. Pharmacol. 37: 1145-1151, 1988...				US Patent US10617654 (2020)
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50213109 ((R,S)-(-)-5-[1-hydroxy-2-(1-methylhexylamino)ethyl...) Show SMILES CCCC[C@H](C)NC[C@H](O)c1cc(O)cc(O)c1 Show InChI InChI=1S/C14H23NO3/c1-3-4-5-10(2)15-9-14(18)11-6-12(16)8-13(17)7-11/h6-8,10,14-18H,3-5,9H2,1-2H3/t10-,14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	3.16E+4	n/a	n/a	n/a	n/a	n/a
The USA, as represented by the Secretary, Department of Health and Human Services; SRI International US Patent					Assay Description HEK 293 cells stability transfected with cDNA encoding human β2-AR (provided by Dr. Brian Kobilka, Stanford Medical Center, Palo Alto, Calif.) w...				US Patent US10617654 (2020)
					More data for this Ligand-Target Pair