BDBM50092022 CHEMBL302893::N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-4-[4-(4-trifluoromethoxy-phenyl)-[1,2,3]triazol-2-yl]-benzenesulfonamide

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

InChI Key: InChIKey=GZSMHJAFZVYLOV-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 = 50092022   

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))	BDBM50092022 (CHEMBL302893 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-n2ncc(n2)-c2ccc(OC(F)(F)F)cc2)cc1)c1cccnc1 Show InChI InChI=1S/C30H27F3N6O4S/c31-30(32,33)43-26-11-5-22(6-12-26)28-19-36-39(37-28)25-9-13-27(14-10-25)44(41,42)38-24-7-3-21(4-8-24)15-17-35-20-29(40)23-2-1-16-34-18-23/h1-14,16,18-19,29,35,38,40H,15,17,20H2/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	1.60E+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))	BDBM50092022 (CHEMBL302893 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-n2ncc(n2)-c2ccc(OC(F)(F)F)cc2)cc1)c1cccnc1 Show InChI InChI=1S/C30H27F3N6O4S/c31-30(32,33)43-26-11-5-22(6-12-26)28-19-36-39(37-28)25-9-13-27(14-10-25)44(41,42)38-24-7-3-21(4-8-24)15-17-35-20-29(40)23-2-1-16-34-18-23/h1-14,16,18-19,29,35,38,40H,15,17,20H2/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	18	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))	BDBM50092022 (CHEMBL302893 | N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-n2ncc(n2)-c2ccc(OC(F)(F)F)cc2)cc1)c1cccnc1 Show InChI InChI=1S/C30H27F3N6O4S/c31-30(32,33)43-26-11-5-22(6-12-26)28-19-36-39(37-28)25-9-13-27(14-10-25)44(41,42)38-24-7-3-21(4-8-24)15-17-35-20-29(40)23-2-1-16-34-18-23/h1-14,16,18-19,29,35,38,40H,15,17,20H2/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	1.30E+3	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