BDBM50160821 CHEMBL182770::Methanesulfonic acid 3-((R)-2-{(R)-2-hydroxy-2-[3-(3-methyl-but-2-enylamino)-phenyl]-ethylamino}-propyl)-1H-indol-7-yl ester

SMILES: C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NCC=C(C)C)c1

InChI Key: InChIKey=TZVFBJSCZAMNOI-JPYJTQIMSA-N

Data: 6 EC50

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 = 50160821   

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))	BDBM50160821 (CHEMBL182770 | Methanesulfonic acid 3-((R)-2-{(R)-...) Show SMILES C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NCC=C(C)C)c1 |wU:19.21,1.0,(1.08,-.52,;1.1,1.02,;2.42,1.8,;3.76,1.02,;3.76,-.52,;5.08,-1.3,;6.43,-.52,;7.75,-1.28,;7.72,-2.83,;9.06,-3.6,;10.38,-2.83,;9.06,-5.15,;7.72,-4.37,;9.08,-.52,;9.08,1.02,;7.75,1.77,;6.43,1.02,;-.24,1.8,;-1.56,1.02,;-2.9,1.77,;-2.92,3.32,;-4.24,1,;-4.24,-.55,;-5.58,-1.32,;-6.92,-.55,;-6.92,1,;-8.24,1.77,;-9.58,1,;-10.9,1.76,;-12.23,.98,;-13.57,1.75,;-12.23,-.56,;-5.58,1.77,)| Show InChI InChI=1S/C25H33N3O4S/c1-17(2)11-12-26-21-8-5-7-19(14-21)23(29)16-27-18(3)13-20-15-28-25-22(20)9-6-10-24(25)32-33(4,30)31/h5-11,14-15,18,23,26-29H,12-13,16H2,1-4H3/t18-,23+/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	n/a	n/a	n/a	n/a	36	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Agonistic activity was assessed by measuring cAMP accumulation in CHO cells expressing human beta-2 adrenergic receptor				Bioorg Med Chem Lett 15: 1061-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.033 BindingDB Entry DOI: 10.7270/Q2TD9WVK
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50160821 (CHEMBL182770 | Methanesulfonic acid 3-((R)-2-{(R)-...) Show SMILES C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NCC=C(C)C)c1 |wU:19.21,1.0,(1.08,-.52,;1.1,1.02,;2.42,1.8,;3.76,1.02,;3.76,-.52,;5.08,-1.3,;6.43,-.52,;7.75,-1.28,;7.72,-2.83,;9.06,-3.6,;10.38,-2.83,;9.06,-5.15,;7.72,-4.37,;9.08,-.52,;9.08,1.02,;7.75,1.77,;6.43,1.02,;-.24,1.8,;-1.56,1.02,;-2.9,1.77,;-2.92,3.32,;-4.24,1,;-4.24,-.55,;-5.58,-1.32,;-6.92,-.55,;-6.92,1,;-8.24,1.77,;-9.58,1,;-10.9,1.76,;-12.23,.98,;-13.57,1.75,;-12.23,-.56,;-5.58,1.77,)| Show InChI InChI=1S/C25H33N3O4S/c1-17(2)11-12-26-21-8-5-7-19(14-21)23(29)16-27-18(3)13-20-15-28-25-22(20)9-6-10-24(25)32-33(4,30)31/h5-11,14-15,18,23,26-29H,12-13,16H2,1-4H3/t18-,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	160	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Agonistic activity was assessed by measuring cAMP accumulation in CHO cells expressing human beta-1 adrenergic receptor				Bioorg Med Chem Lett 15: 1061-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.033 BindingDB Entry DOI: 10.7270/Q2TD9WVK
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50160821 (CHEMBL182770 | Methanesulfonic acid 3-((R)-2-{(R)-...) Show SMILES C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NCC=C(C)C)c1 |wU:19.21,1.0,(1.08,-.52,;1.1,1.02,;2.42,1.8,;3.76,1.02,;3.76,-.52,;5.08,-1.3,;6.43,-.52,;7.75,-1.28,;7.72,-2.83,;9.06,-3.6,;10.38,-2.83,;9.06,-5.15,;7.72,-4.37,;9.08,-.52,;9.08,1.02,;7.75,1.77,;6.43,1.02,;-.24,1.8,;-1.56,1.02,;-2.9,1.77,;-2.92,3.32,;-4.24,1,;-4.24,-.55,;-5.58,-1.32,;-6.92,-.55,;-6.92,1,;-8.24,1.77,;-9.58,1,;-10.9,1.76,;-12.23,.98,;-13.57,1.75,;-12.23,-.56,;-5.58,1.77,)| Show InChI InChI=1S/C25H33N3O4S/c1-17(2)11-12-26-21-8-5-7-19(14-21)23(29)16-27-18(3)13-20-15-28-25-22(20)9-6-10-24(25)32-33(4,30)31/h5-11,14-15,18,23,26-29H,12-13,16H2,1-4H3/t18-,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	36	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Agonist activity at Homo sapiens (human) beta3 adrenoreceptor				Med Chem Res 19: 1121-1140 (2010) Article DOI: 10.1007/s00044-009-9257-x BindingDB Entry DOI: 10.7270/Q2057JTC
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50160821 (CHEMBL182770 | Methanesulfonic acid 3-((R)-2-{(R)-...) Show SMILES C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NCC=C(C)C)c1 |wU:19.21,1.0,(1.08,-.52,;1.1,1.02,;2.42,1.8,;3.76,1.02,;3.76,-.52,;5.08,-1.3,;6.43,-.52,;7.75,-1.28,;7.72,-2.83,;9.06,-3.6,;10.38,-2.83,;9.06,-5.15,;7.72,-4.37,;9.08,-.52,;9.08,1.02,;7.75,1.77,;6.43,1.02,;-.24,1.8,;-1.56,1.02,;-2.9,1.77,;-2.92,3.32,;-4.24,1,;-4.24,-.55,;-5.58,-1.32,;-6.92,-.55,;-6.92,1,;-8.24,1.77,;-9.58,1,;-10.9,1.76,;-12.23,.98,;-13.57,1.75,;-12.23,-.56,;-5.58,1.77,)| Show InChI InChI=1S/C25H33N3O4S/c1-17(2)11-12-26-21-8-5-7-19(14-21)23(29)16-27-18(3)13-20-15-28-25-22(20)9-6-10-24(25)32-33(4,30)31/h5-11,14-15,18,23,26-29H,12-13,16H2,1-4H3/t18-,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	36	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Agonist activity at Homo sapiens (human) beta1 adrenoreceptor				Med Chem Res 19: 1121-1140 (2010) Article DOI: 10.1007/s00044-009-9257-x BindingDB Entry DOI: 10.7270/Q2057JTC
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50160821 (CHEMBL182770 | Methanesulfonic acid 3-((R)-2-{(R)-...) Show SMILES C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NCC=C(C)C)c1 |wU:19.21,1.0,(1.08,-.52,;1.1,1.02,;2.42,1.8,;3.76,1.02,;3.76,-.52,;5.08,-1.3,;6.43,-.52,;7.75,-1.28,;7.72,-2.83,;9.06,-3.6,;10.38,-2.83,;9.06,-5.15,;7.72,-4.37,;9.08,-.52,;9.08,1.02,;7.75,1.77,;6.43,1.02,;-.24,1.8,;-1.56,1.02,;-2.9,1.77,;-2.92,3.32,;-4.24,1,;-4.24,-.55,;-5.58,-1.32,;-6.92,-.55,;-6.92,1,;-8.24,1.77,;-9.58,1,;-10.9,1.76,;-12.23,.98,;-13.57,1.75,;-12.23,-.56,;-5.58,1.77,)| Show InChI InChI=1S/C25H33N3O4S/c1-17(2)11-12-26-21-8-5-7-19(14-21)23(29)16-27-18(3)13-20-15-28-25-22(20)9-6-10-24(25)32-33(4,30)31/h5-11,14-15,18,23,26-29H,12-13,16H2,1-4H3/t18-,23+/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	n/a	n/a	n/a	n/a	160	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Agonist activity at Homo sapiens (human) beta2 adrenoreceptor				Med Chem Res 19: 1121-1140 (2010) Article DOI: 10.1007/s00044-009-9257-x BindingDB Entry DOI: 10.7270/Q2057JTC
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50160821 (CHEMBL182770 | Methanesulfonic acid 3-((R)-2-{(R)-...) Show SMILES C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NCC=C(C)C)c1 |wU:19.21,1.0,(1.08,-.52,;1.1,1.02,;2.42,1.8,;3.76,1.02,;3.76,-.52,;5.08,-1.3,;6.43,-.52,;7.75,-1.28,;7.72,-2.83,;9.06,-3.6,;10.38,-2.83,;9.06,-5.15,;7.72,-4.37,;9.08,-.52,;9.08,1.02,;7.75,1.77,;6.43,1.02,;-.24,1.8,;-1.56,1.02,;-2.9,1.77,;-2.92,3.32,;-4.24,1,;-4.24,-.55,;-5.58,-1.32,;-6.92,-.55,;-6.92,1,;-8.24,1.77,;-9.58,1,;-10.9,1.76,;-12.23,.98,;-13.57,1.75,;-12.23,-.56,;-5.58,1.77,)| Show InChI InChI=1S/C25H33N3O4S/c1-17(2)11-12-26-21-8-5-7-19(14-21)23(29)16-27-18(3)13-20-15-28-25-22(20)9-6-10-24(25)32-33(4,30)31/h5-11,14-15,18,23,26-29H,12-13,16H2,1-4H3/t18-,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	36	n/a	n/a	n/a	n/a
Dainippon Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Agonistic activity was assessed by measuring cAMP accumulation in CHO cells expressing human beta-3 adrenergic receptor				Bioorg Med Chem Lett 15: 1061-4 (2005) Article DOI: 10.1016/j.bmcl.2004.12.033 BindingDB Entry DOI: 10.7270/Q2TD9WVK
					More data for this Ligand-Target Pair