BDBM50160819 CHEMBL182018::Methanesulfonic acid 3-[(R)-2-((R)-2-hydroxy-2-{3-[((E)-3-phenyl)-allylamino]-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(NC\C=C\c2ccccc2)c1

InChI Key: InChIKey=JAUUNUPMFOCROG-SBZCJJIMSA-N

Data: 2 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 2 hits for monomerid = 50160819   

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-3 adrenergic receptor (Homo sapiens (Human))	BDBM50160819 (CHEMBL182018 | Methanesulfonic acid 3-[(R)-2-((R)-...) Show SMILES C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NC\C=C\c2ccccc2)c1 Show InChI InChI=1S/C29H33N3O4S/c1-21(17-24-19-32-29-26(24)14-7-15-28(29)36-37(2,34)35)31-20-27(33)23-12-6-13-25(18-23)30-16-8-11-22-9-4-3-5-10-22/h3-15,18-19,21,27,30-33H,16-17,20H2,1-2H3/b11-8+/t21-,27+/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	1	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
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM50160819 (CHEMBL182018 | Methanesulfonic acid 3-[(R)-2-((R)-...) Show SMILES C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(NC\C=C\c2ccccc2)c1 Show InChI InChI=1S/C29H33N3O4S/c1-21(17-24-19-32-29-26(24)14-7-15-28(29)36-37(2,34)35)31-20-27(33)23-12-6-13-25(18-23)30-16-8-11-22-9-4-3-5-10-22/h3-15,18-19,21,27,30-33H,16-17,20H2,1-2H3/b11-8+/t21-,27+/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	13	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