BDBM50487723 CHEMBL2260988

SMILES: COc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)cn(Cc3ccccc3)c12

InChI Key: InChIKey=WDBAGEJAANHUNF-DFHRPNOPSA-N

Data: 3 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 3 hits for monomerid = 50487723   

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 and beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50487723 (CHEMBL2260988) Show SMILES COc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)cn(Cc3ccccc3)c12 |r| Show InChI InChI=1S/C31H33N3O4S2/c1-22(32-19-28(35)24-11-6-12-26(18-24)33-40(36,37)30-15-8-16-39-30)17-25-21-34(20-23-9-4-3-5-10-23)31-27(25)13-7-14-29(31)38-2/h3-16,18,21-22,28,32-33,35H,17,19-20H2,1-2H3/t22-,28+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.40	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-2 adrenergic receptor (Homo sapiens (Human))	BDBM50487723 (CHEMBL2260988) Show SMILES COc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)cn(Cc3ccccc3)c12 |r| Show InChI InChI=1S/C31H33N3O4S2/c1-22(32-19-28(35)24-11-6-12-26(18-24)33-40(36,37)30-15-8-16-39-30)17-25-21-34(20-23-9-4-3-5-10-23)31-27(25)13-7-14-29(31)38-2/h3-16,18,21-22,28,32-33,35H,17,19-20H2,1-2H3/t22-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	32	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-1 adrenergic receptor (Homo sapiens (Human))	BDBM50487723 (CHEMBL2260988) Show SMILES COc1cccc2c(C[C@@H](C)NC[C@H](O)c3cccc(NS(=O)(=O)c4cccs4)c3)cn(Cc3ccccc3)c12 |r| Show InChI InChI=1S/C31H33N3O4S2/c1-22(32-19-28(35)24-11-6-12-26(18-24)33-40(36,37)30-15-8-16-39-30)17-25-21-34(20-23-9-4-3-5-10-23)31-27(25)13-7-14-29(31)38-2/h3-16,18,21-22,28,32-33,35H,17,19-20H2,1-2H3/t22-,28+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	22	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