BDBM50160814 CHEMBL183552::Methanesulfonic acid 3-[(R)-2-((R)-2-hydroxy-2-{3-[(naphthalen-2-ylmethyl)-amino]-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(NCc2ccc3ccccc3c2)c1

InChI Key: InChIKey=YQMMWNSOEMZESN-PBBNMVCDSA-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 = 50160814   

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))	BDBM50160814 (CHEMBL183552 | Methanesulfonic acid 3-[(R)-2-((R)-...) Show SMILES C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NCc2ccc3ccccc3c2)c1 Show InChI InChI=1S/C31H33N3O4S/c1-21(15-26-19-34-31-28(26)11-6-12-30(31)38-39(2,36)37)32-20-29(35)25-9-5-10-27(17-25)33-18-22-13-14-23-7-3-4-8-24(23)16-22/h3-14,16-17,19,21,29,32-35H,15,18,20H2,1-2H3/t21-,29+/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	7.60	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))	BDBM50160814 (CHEMBL183552 | Methanesulfonic acid 3-[(R)-2-((R)-...) Show SMILES C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NCc2ccc3ccccc3c2)c1 Show InChI InChI=1S/C31H33N3O4S/c1-21(15-26-19-34-31-28(26)11-6-12-30(31)38-39(2,36)37)32-20-29(35)25-9-5-10-27(17-25)33-18-22-13-14-23-7-3-4-8-24(23)16-22/h3-14,16-17,19,21,29,32-35H,15,18,20H2,1-2H3/t21-,29+/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	44	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-2 adrenergic receptor (Homo sapiens (Human))	BDBM50160814 (CHEMBL183552 | Methanesulfonic acid 3-[(R)-2-((R)-...) Show SMILES C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NCc2ccc3ccccc3c2)c1 Show InChI InChI=1S/C31H33N3O4S/c1-21(15-26-19-34-31-28(26)11-6-12-30(31)38-39(2,36)37)32-20-29(35)25-9-5-10-27(17-25)33-18-22-13-14-23-7-3-4-8-24(23)16-22/h3-14,16-17,19,21,29,32-35H,15,18,20H2,1-2H3/t21-,29+/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	44	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-2 adrenergic receptor and beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50160814 (CHEMBL183552 | Methanesulfonic acid 3-[(R)-2-((R)-...) Show SMILES C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NCc2ccc3ccccc3c2)c1 Show InChI InChI=1S/C31H33N3O4S/c1-21(15-26-19-34-31-28(26)11-6-12-30(31)38-39(2,36)37)32-20-29(35)25-9-5-10-27(17-25)33-18-22-13-14-23-7-3-4-8-24(23)16-22/h3-14,16-17,19,21,29,32-35H,15,18,20H2,1-2H3/t21-,29+/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	2.90	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))	BDBM50160814 (CHEMBL183552 | Methanesulfonic acid 3-[(R)-2-((R)-...) Show SMILES C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NCc2ccc3ccccc3c2)c1 Show InChI InChI=1S/C31H33N3O4S/c1-21(15-26-19-34-31-28(26)11-6-12-30(31)38-39(2,36)37)32-20-29(35)25-9-5-10-27(17-25)33-18-22-13-14-23-7-3-4-8-24(23)16-22/h3-14,16-17,19,21,29,32-35H,15,18,20H2,1-2H3/t21-,29+/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	7.60	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-3 adrenergic receptor (Homo sapiens (Human))	BDBM50160814 (CHEMBL183552 | Methanesulfonic acid 3-[(R)-2-((R)-...) Show SMILES C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NCc2ccc3ccccc3c2)c1 Show InChI InChI=1S/C31H33N3O4S/c1-21(15-26-19-34-31-28(26)11-6-12-30(31)38-39(2,36)37)32-20-29(35)25-9-5-10-27(17-25)33-18-22-13-14-23-7-3-4-8-24(23)16-22/h3-14,16-17,19,21,29,32-35H,15,18,20H2,1-2H3/t21-,29+/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	2.90	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