BDBM50089495 CHEMBL34406::N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-4-[5-(4-methoxy-phenoxymethyl)-[1,2,4]oxadiazol-3-yl]-benzenesulfonamide

SMILES: COc1ccc(OCc2nc(no2)-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1

InChI Key: InChIKey=ALVGVJBOROIAIW-LJAQVGFWSA-N

Data: 2 IC50  1 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 = 50089495   

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))	BDBM50089495 (CHEMBL34406 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...) Show SMILES COc1ccc(OCc2nc(no2)-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 Show InChI InChI=1S/C31H31N5O6S/c1-40-26-10-12-27(13-11-26)41-21-30-34-31(35-42-30)23-6-14-28(15-7-23)43(38,39)36-25-8-4-22(5-9-25)16-18-33-20-29(37)24-3-2-17-32-19-24/h2-15,17,19,29,33,36-37H,16,18,20-21H2,1H3/t29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to recombinant human beta-2 adrenergic receptor prepared from CHO cells in the presence of [125I]-iodocyanopindolol				Bioorg Med Chem Lett 10: 1431-4 (2000) BindingDB Entry DOI: 10.7270/Q24B30JM
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50089495 (CHEMBL34406 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...) Show SMILES COc1ccc(OCc2nc(no2)-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 Show InChI InChI=1S/C31H31N5O6S/c1-40-26-10-12-27(13-11-26)41-21-30-34-31(35-42-30)23-6-14-28(15-7-23)43(38,39)36-25-8-4-22(5-9-25)16-18-33-20-29(37)24-3-2-17-32-19-24/h2-15,17,19,29,33,36-37H,16,18,20-21H2,1H3/t29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Stimulation of cAMP levels in CHO cells expressing the recombinant human beta-3 adrenergic receptor				Bioorg Med Chem Lett 10: 1431-4 (2000) BindingDB Entry DOI: 10.7270/Q24B30JM
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50089495 (CHEMBL34406 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-y...) Show SMILES COc1ccc(OCc2nc(no2)-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1 Show InChI InChI=1S/C31H31N5O6S/c1-40-26-10-12-27(13-11-26)41-21-30-34-31(35-42-30)23-6-14-28(15-7-23)43(38,39)36-25-8-4-22(5-9-25)16-18-33-20-29(37)24-3-2-17-32-19-24/h2-15,17,19,29,33,36-37H,16,18,20-21H2,1H3/t29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to recombinant human beta-1 adrenergic receptor expressed in CHO cells in the presence of [125I]-iodocyanopindolol				Bioorg Med Chem Lett 10: 1431-4 (2000) BindingDB Entry DOI: 10.7270/Q24B30JM
					More data for this Ligand-Target Pair