BDBM50092021 4-[4-(3-Fluoro-4-methoxy-phenyl)-[1,2,3]triazol-2-yl]-N-{4-[2-((R)-2-hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-benzenesulfonamide::CHEMBL63357

SMILES: COc1ccc(cc1F)-c1cnn(n1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1

InChI Key: InChIKey=TYRWFUXOSSJFMQ-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 = 50092021   

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))	BDBM50092021 (4-[4-(3-Fluoro-4-methoxy-phenyl)-[1,2,3]triazol-2-...) Show SMILES COc1ccc(cc1F)-c1cnn(n1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 Show InChI InChI=1S/C30H29FN6O4S/c1-41-30-13-6-22(17-27(30)31)28-19-34-37(35-28)25-9-11-26(12-10-25)42(39,40)36-24-7-4-21(5-8-24)14-16-33-20-29(38)23-3-2-15-32-18-23/h2-13,15,17-19,29,33,36,38H,14,16,20H2,1H3/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	2.50E+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))	BDBM50092021 (4-[4-(3-Fluoro-4-methoxy-phenyl)-[1,2,3]triazol-2-...) Show SMILES COc1ccc(cc1F)-c1cnn(n1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 Show InChI InChI=1S/C30H29FN6O4S/c1-41-30-13-6-22(17-27(30)31)28-19-34-37(35-28)25-9-11-26(12-10-25)42(39,40)36-24-7-4-21(5-8-24)14-16-33-20-29(38)23-3-2-15-32-18-23/h2-13,15,17-19,29,33,36,38H,14,16,20H2,1H3/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	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity for 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))	BDBM50092021 (4-[4-(3-Fluoro-4-methoxy-phenyl)-[1,2,3]triazol-2-...) Show SMILES COc1ccc(cc1F)-c1cnn(n1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 Show InChI InChI=1S/C30H29FN6O4S/c1-41-30-13-6-22(17-27(30)31)28-19-34-37(35-28)25-9-11-26(12-10-25)42(39,40)36-24-7-4-21(5-8-24)14-16-33-20-29(38)23-3-2-15-32-18-23/h2-13,15,17-19,29,33,36,38H,14,16,20H2,1H3/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	22	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