BDBM50213096 (S,R)-(+)-5-{1-hydroxy-2-[1-methyl-2-(1-naphthyl)ethylamino]ethyl}-1,3-benzenediol::CHEMBL388177::US10617654, Compound (S,R)-5::US9492405, (S,R)-5::US9492405, 38

SMILES: C[C@H](Cc1cccc2ccccc12)NC[C@@H](O)c1cc(O)cc(O)c1

InChI Key: InChIKey=QGUPDXLZKDANGO-SPLOXXLWSA-N

Data: 6 KI  1 IC50  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 9 hits for monomerid = 50213096   

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))	BDBM50213096 ((S,R)-(+)-5-{1-hydroxy-2-[1-methyl-2-(1-naphthyl)e...) Show SMILES C[C@H](Cc1cccc2ccccc12)NC[C@@H](O)c1cc(O)cc(O)c1 Show InChI InChI=1S/C21H23NO3/c1-14(9-16-7-4-6-15-5-2-3-8-20(15)16)22-13-21(25)17-10-18(23)12-19(24)11-17/h2-8,10-12,14,21-25H,9,13H2,1H3/t14-,21-/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	1.78E+3	-7.28	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-2 adrenergic receptor (Homo sapiens (Human))	BDBM50213096 ((S,R)-(+)-5-{1-hydroxy-2-[1-methyl-2-(1-naphthyl)e...) Show SMILES C[C@H](Cc1cccc2ccccc12)NC[C@@H](O)c1cc(O)cc(O)c1 Show InChI InChI=1S/C21H23NO3/c1-14(9-16-7-4-6-15-5-2-3-8-20(15)16)22-13-21(25)17-10-18(23)12-19(24)11-17/h2-8,10-12,14,21-25H,9,13H2,1H3/t14-,21-/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	1.80E+3	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))	BDBM50213096 ((S,R)-(+)-5-{1-hydroxy-2-[1-methyl-2-(1-naphthyl)e...) Show SMILES C[C@H](Cc1cccc2ccccc12)NC[C@@H](O)c1cc(O)cc(O)c1 Show InChI InChI=1S/C21H23NO3/c1-14(9-16-7-4-6-15-5-2-3-8-20(15)16)22-13-21(25)17-10-18(23)12-19(24)11-17/h2-8,10-12,14,21-25H,9,13H2,1H3/t14-,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.47E+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-1 adrenergic receptor (Rattus norvegicus (Rat))	BDBM50213096 ((S,R)-(+)-5-{1-hydroxy-2-[1-methyl-2-(1-naphthyl)e...) Show SMILES C[C@H](Cc1cccc2ccccc12)NC[C@@H](O)c1cc(O)cc(O)c1 Show InChI InChI=1S/C21H23NO3/c1-14(9-16-7-4-6-15-5-2-3-8-20(15)16)22-13-21(25)17-10-18(23)12-19(24)11-17/h2-8,10-12,14,21-25H,9,13H2,1H3/t14-,21-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	3.47E+4	-5.65	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-2 adrenergic receptor (Homo sapiens (Human))	BDBM50213096 ((S,R)-(+)-5-{1-hydroxy-2-[1-methyl-2-(1-naphthyl)e...) Show SMILES C[C@H](Cc1cccc2ccccc12)NC[C@@H](O)c1cc(O)cc(O)c1 Show InChI InChI=1S/C21H23NO3/c1-14(9-16-7-4-6-15-5-2-3-8-20(15)16)22-13-21(25)17-10-18(23)12-19(24)11-17/h2-8,10-12,14,21-25H,9,13H2,1H3/t14-,21-/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	1.78E+6	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)	BDBM50213096 ((S,R)-(+)-5-{1-hydroxy-2-[1-methyl-2-(1-naphthyl)e...) Show SMILES C[C@H](Cc1cccc2ccccc12)NC[C@@H](O)c1cc(O)cc(O)c1 Show InChI InChI=1S/C21H23NO3/c1-14(9-16-7-4-6-15-5-2-3-8-20(15)16)22-13-21(25)17-10-18(23)12-19(24)11-17/h2-8,10-12,14,21-25H,9,13H2,1H3/t14-,21-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	3.47E+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-2 adrenergic receptor (Homo sapiens (Human))	BDBM50213096 ((S,R)-(+)-5-{1-hydroxy-2-[1-methyl-2-(1-naphthyl)e...) Show SMILES C[C@H](Cc1cccc2ccccc12)NC[C@@H](O)c1cc(O)cc(O)c1 Show InChI InChI=1S/C21H23NO3/c1-14(9-16-7-4-6-15-5-2-3-8-20(15)16)22-13-21(25)17-10-18(23)12-19(24)11-17/h2-8,10-12,14,21-25H,9,13H2,1H3/t14-,21-/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	1.78E+3	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
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50213096 ((S,R)-(+)-5-{1-hydroxy-2-[1-methyl-2-(1-naphthyl)e...) Show SMILES C[C@H](Cc1cccc2ccccc12)NC[C@@H](O)c1cc(O)cc(O)c1 Show InChI InChI=1S/C21H23NO3/c1-14(9-16-7-4-6-15-5-2-3-8-20(15)16)22-13-21(25)17-10-18(23)12-19(24)11-17/h2-8,10-12,14,21-25H,9,13H2,1H3/t14-,21-/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	14.8	n/a	n/a	n/a	n/a	n/a	37
The United States of America, as represented by the Secretary, Department of Health and Human Services; SRI International US Patent					Assay Description To measure beta2-AR mediated inhibition of mitogenesis, HEK-beta2-AR, 1321N1 or U87MG cells were seeded in a 96-well plate at approximately 5,000 c...				US Patent US9492405 (2016) BindingDB Entry DOI: 10.7270/Q2CJ8CBM
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50213096 ((S,R)-(+)-5-{1-hydroxy-2-[1-methyl-2-(1-naphthyl)e...) Show SMILES C[C@H](Cc1cccc2ccccc12)NC[C@@H](O)c1cc(O)cc(O)c1 Show InChI InChI=1S/C21H23NO3/c1-14(9-16-7-4-6-15-5-2-3-8-20(15)16)22-13-21(25)17-10-18(23)12-19(24)11-17/h2-8,10-12,14,21-25H,9,13H2,1H3/t14-,21-/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	1.78E+3	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