BDBM50213121 (S)-(+)-5-(1-hydroxy-2-phenethylaminoethyl)-1,3-benzenediol::CHEMBL389902::US10617654, Compound (S)-7::US10925840, Compound (S)-7::US9492405, (S)-7::US9492405, 26

SMILES: O[C@H](CNCCc1ccccc1)c1cc(O)cc(O)c1

InChI Key: InChIKey=IQFFDUZWXIAVOU-MRXNPFEDSA-N

Data: 8 KI  2 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 10 hits for monomerid = 50213121   

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))	BDBM50213121 ((S)-(+)-5-(1-hydroxy-2-phenethylaminoethyl)-1,3-be...) Show SMILES O[C@H](CNCCc1ccccc1)c1cc(O)cc(O)c1 Show InChI InChI=1S/C16H19NO3/c18-14-8-13(9-15(19)10-14)16(20)11-17-7-6-12-4-2-1-3-5-12/h1-5,8-10,16-20H,6-7,11H2/t16-/m1/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	2.04E+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-2 adrenergic receptor (Homo sapiens (Human))	BDBM50213121 ((S)-(+)-5-(1-hydroxy-2-phenethylaminoethyl)-1,3-be...) Show SMILES O[C@H](CNCCc1ccccc1)c1cc(O)cc(O)c1 Show InChI InChI=1S/C16H19NO3/c18-14-8-13(9-15(19)10-14)16(20)11-17-7-6-12-4-2-1-3-5-12/h1-5,8-10,16-20H,6-7,11H2/t16-/m1/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	2.06E+4	-5.94	n/a	n/a	n/a	n/a	n/a	7.8	4
The United States of America, as represented by the Secretary, Department of Health and Human Services; SRI International US Patent					Assay Description Beta1-AR binding was done on rat cortical membrane following a previously described procedure (Beer et al., Biochem. Pharmacol. 37: 1145-1151, 1988)....				US Patent US9492405 (2016) BindingDB Entry DOI: 10.7270/Q2CJ8CBM
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Rattus norvegicus (Rat))	BDBM50213121 ((S)-(+)-5-(1-hydroxy-2-phenethylaminoethyl)-1,3-be...) Show SMILES O[C@H](CNCCc1ccccc1)c1cc(O)cc(O)c1 Show InChI InChI=1S/C16H19NO3/c18-14-8-13(9-15(19)10-14)16(20)11-17-7-6-12-4-2-1-3-5-12/h1-5,8-10,16-20H,6-7,11H2/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	5.22E+4	-5.43	n/a	n/a	n/a	n/a	n/a	7.8	4
The United States of America, as represented by the Secretary, Department of Health and Human Services; SRI International US Patent					Assay Description Beta1-AR binding was done on rat cortical membrane following a previously described procedure (Beer et al., Biochem. Pharmacol. 37: 1145-1151, 1988)....				US Patent US9492405 (2016) BindingDB Entry DOI: 10.7270/Q2CJ8CBM
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Rattus norvegicus (Rat))	BDBM50213121 ((S)-(+)-5-(1-hydroxy-2-phenethylaminoethyl)-1,3-be...) Show SMILES O[C@H](CNCCc1ccccc1)c1cc(O)cc(O)c1 Show InChI InChI=1S/C16H19NO3/c18-14-8-13(9-15(19)10-14)16(20)11-17-7-6-12-4-2-1-3-5-12/h1-5,8-10,16-20H,6-7,11H2/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.22E+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]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))	BDBM50213121 ((S)-(+)-5-(1-hydroxy-2-phenethylaminoethyl)-1,3-be...) Show SMILES O[C@H](CNCCc1ccccc1)c1cc(O)cc(O)c1 Show InChI InChI=1S/C16H19NO3/c18-14-8-13(9-15(19)10-14)16(20)11-17-7-6-12-4-2-1-3-5-12/h1-5,8-10,16-20H,6-7,11H2/t16-/m1/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	2.06E+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 Twenty-four hours after adenoviral infection with human β2-AR, HEK293 cells were harvested in lysis buffer, Tris-HCl [5 mM, pH 7.4] containing E...				US Patent US10925840 (2021)
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50213121 ((S)-(+)-5-(1-hydroxy-2-phenethylaminoethyl)-1,3-be...) Show SMILES O[C@H](CNCCc1ccccc1)c1cc(O)cc(O)c1 Show InChI InChI=1S/C16H19NO3/c18-14-8-13(9-15(19)10-14)16(20)11-17-7-6-12-4-2-1-3-5-12/h1-5,8-10,16-20H,6-7,11H2/t16-/m1/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	2.06E+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)	BDBM50213121 ((S)-(+)-5-(1-hydroxy-2-phenethylaminoethyl)-1,3-be...) Show SMILES O[C@H](CNCCc1ccccc1)c1cc(O)cc(O)c1 Show InChI InChI=1S/C16H19NO3/c18-14-8-13(9-15(19)10-14)16(20)11-17-7-6-12-4-2-1-3-5-12/h1-5,8-10,16-20H,6-7,11H2/t16-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	5.22E+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 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-1 adrenergic receptor (Homo sapiens (Human))	BDBM50213121 ((S)-(+)-5-(1-hydroxy-2-phenethylaminoethyl)-1,3-be...) Show SMILES O[C@H](CNCCc1ccccc1)c1cc(O)cc(O)c1 Show InChI InChI=1S/C16H19NO3/c18-14-8-13(9-15(19)10-14)16(20)11-17-7-6-12-4-2-1-3-5-12/h1-5,8-10,16-20H,6-7,11H2/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	5.22E+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 Twenty-four hours after adenoviral infection with human β2-AR, HEK293 cells were harvested in lysis buffer, Tris-HCl [5 mM, pH 7.4] containing E...				US Patent US10925840 (2021)
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50213121 ((S)-(+)-5-(1-hydroxy-2-phenethylaminoethyl)-1,3-be...) Show SMILES O[C@H](CNCCc1ccccc1)c1cc(O)cc(O)c1 Show InChI InChI=1S/C16H19NO3/c18-14-8-13(9-15(19)10-14)16(20)11-17-7-6-12-4-2-1-3-5-12/h1-5,8-10,16-20H,6-7,11H2/t16-/m1/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	2.04E+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
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50213121 ((S)-(+)-5-(1-hydroxy-2-phenethylaminoethyl)-1,3-be...) Show SMILES O[C@H](CNCCc1ccccc1)c1cc(O)cc(O)c1 Show InChI InChI=1S/C16H19NO3/c18-14-8-13(9-15(19)10-14)16(20)11-17-7-6-12-4-2-1-3-5-12/h1-5,8-10,16-20H,6-7,11H2/t16-/m1/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	2.04E+4	n/a	n/a	n/a	7.7	n/a
The United States of America, 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 beta2-AR (provided by Dr. Brian Kobilka, Stanford Medical Center, Palo Alto, Calif.) wer...				US Patent US9492405 (2016) BindingDB Entry DOI: 10.7270/Q2CJ8CBM
					More data for this Ligand-Target Pair