BDBM50092034 4-[4-(2,6-Difluoro-benzyl)-[1,2,3]triazol-2-yl]-N-{4-[2-((R)-2-hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-benzenesulfonamide::CHEMBL66789

SMILES: O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-n2ncc(Cc3c(F)cccc3F)n2)cc1)c1cccnc1

InChI Key: InChIKey=CJKJKGXQVYGNAU-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 = 50092034   

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))	BDBM50092034 (4-[4-(2,6-Difluoro-benzyl)-[1,2,3]triazol-2-yl]-N-...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-n2ncc(Cc3c(F)cccc3F)n2)cc1)c1cccnc1 Show InChI InChI=1S/C30H28F2N6O3S/c31-28-4-1-5-29(32)27(28)17-24-19-35-38(36-24)25-10-12-26(13-11-25)42(40,41)37-23-8-6-21(7-9-23)14-16-34-20-30(39)22-3-2-15-33-18-22/h1-13,15,18-19,30,34,37,39H,14,16-17,20H2/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	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 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))	BDBM50092034 (4-[4-(2,6-Difluoro-benzyl)-[1,2,3]triazol-2-yl]-N-...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-n2ncc(Cc3c(F)cccc3F)n2)cc1)c1cccnc1 Show InChI InChI=1S/C30H28F2N6O3S/c31-28-4-1-5-29(32)27(28)17-24-19-35-38(36-24)25-10-12-26(13-11-25)42(40,41)37-23-8-6-21(7-9-23)14-16-34-20-30(39)22-3-2-15-33-18-22/h1-13,15,18-19,30,34,37,39H,14,16-17,20H2/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	24	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))	BDBM50092034 (4-[4-(2,6-Difluoro-benzyl)-[1,2,3]triazol-2-yl]-N-...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-n2ncc(Cc3c(F)cccc3F)n2)cc1)c1cccnc1 Show InChI InChI=1S/C30H28F2N6O3S/c31-28-4-1-5-29(32)27(28)17-24-19-35-38(36-24)25-10-12-26(13-11-25)42(40,41)37-23-8-6-21(7-9-23)14-16-34-20-30(39)22-3-2-15-33-18-22/h1-13,15,18-19,30,34,37,39H,14,16-17,20H2/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	2.80E+4	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