BDBM50092031 4-[4-(4-Fluoro-phenyl)-[1,2,3]triazol-2-yl]-N-{4-[2-((R)-2-hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-benzenesulfonamide::CHEMBL305558

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

InChI Key: InChIKey=XQALMABJADZMJQ-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 = 50092031   

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))	BDBM50092031 (4-[4-(4-Fluoro-phenyl)-[1,2,3]triazol-2-yl]-N-{4-[...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-n2ncc(n2)-c2ccc(F)cc2)cc1)c1cccnc1 Show InChI InChI=1S/C29H27FN6O3S/c30-24-7-5-22(6-8-24)28-19-33-36(34-28)26-11-13-27(14-12-26)40(38,39)35-25-9-3-21(4-10-25)15-17-32-20-29(37)23-2-1-16-31-18-23/h1-14,16,18-19,29,32,35,37H,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	9.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for 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-1 adrenergic receptor (Homo sapiens (Human))	BDBM50092031 (4-[4-(4-Fluoro-phenyl)-[1,2,3]triazol-2-yl]-N-{4-[...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-n2ncc(n2)-c2ccc(F)cc2)cc1)c1cccnc1 Show InChI InChI=1S/C29H27FN6O3S/c30-24-7-5-22(6-8-24)28-19-33-36(34-28)26-11-13-27(14-12-26)40(38,39)35-25-9-3-21(4-10-25)15-17-32-20-29(37)23-2-1-16-31-18-23/h1-14,16,18-19,29,32,35,37H,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	4.00E+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
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50092031 (4-[4-(4-Fluoro-phenyl)-[1,2,3]triazol-2-yl]-N-{4-[...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-n2ncc(n2)-c2ccc(F)cc2)cc1)c1cccnc1 Show InChI InChI=1S/C29H27FN6O3S/c30-24-7-5-22(6-8-24)28-19-33-36(34-28)26-11-13-27(14-12-26)40(38,39)35-25-9-3-21(4-10-25)15-17-32-20-29(37)23-2-1-16-31-18-23/h1-14,16,18-19,29,32,35,37H,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	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