BDBM50092026 4-[4-(3,4-Difluoro-phenoxymethyl)-[1,2,3]triazol-2-yl]-N-{4-[2-((R)-2-hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-benzenesulfonamide::CHEMBL68301

SMILES: O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-n2ncc(COc3ccc(F)c(F)c3)n2)cc1)c1cccnc1

InChI Key: InChIKey=YMJNZSRXRGBYCR-PMERELPUSA-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 = 50092026   

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))	BDBM50092026 (4-[4-(3,4-Difluoro-phenoxymethyl)-[1,2,3]triazol-2...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-n2ncc(COc3ccc(F)c(F)c3)n2)cc1)c1cccnc1 Show InChI InChI=1S/C30H28F2N6O4S/c31-28-12-9-26(16-29(28)32)42-20-24-18-35-38(36-24)25-7-10-27(11-8-25)43(40,41)37-23-5-3-21(4-6-23)13-15-34-19-30(39)22-2-1-14-33-17-22/h1-12,14,16-18,30,34,37,39H,13,15,19-20H2/t30-/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	690	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for clone human Beta-2 adrenergic receptor from CHO cell membranes in the presence of I-iodocyanopindolol				Bioorg Med Chem Lett 10: 2111-4 (2000) BindingDB Entry DOI: 10.7270/Q2X929JR
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50092026 (4-[4-(3,4-Difluoro-phenoxymethyl)-[1,2,3]triazol-2...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-n2ncc(COc3ccc(F)c(F)c3)n2)cc1)c1cccnc1 Show InChI InChI=1S/C30H28F2N6O4S/c31-28-12-9-26(16-29(28)32)42-20-24-18-35-38(36-24)25-7-10-27(11-8-25)43(40,41)37-23-5-3-21(4-6-23)13-15-34-19-30(39)22-2-1-14-33-17-22/h1-12,14,16-18,30,34,37,39H,13,15,19-20H2/t30-/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	10	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Tested in vitro for its ability to stimulate increase in cAMP in CHO cellsexpressing the cloned human beta-3 adrenergic receptor				Bioorg Med Chem Lett 10: 2111-4 (2000) BindingDB Entry DOI: 10.7270/Q2X929JR
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50092026 (4-[4-(3,4-Difluoro-phenoxymethyl)-[1,2,3]triazol-2...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-n2ncc(COc3ccc(F)c(F)c3)n2)cc1)c1cccnc1 Show InChI InChI=1S/C30H28F2N6O4S/c31-28-12-9-26(16-29(28)32)42-20-24-18-35-38(36-24)25-7-10-27(11-8-25)43(40,41)37-23-5-3-21(4-6-23)13-15-34-19-30(39)22-2-1-14-33-17-22/h1-12,14,16-18,30,34,37,39H,13,15,19-20H2/t30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	930	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for cloned human Beta-1 adrenergic receptor expressed in CHO cells, tested in the presence of I-iodocyanopindolol.				Bioorg Med Chem Lett 10: 2111-4 (2000) BindingDB Entry DOI: 10.7270/Q2X929JR
					More data for this Ligand-Target Pair