BDBM50092648 CHEMBL338794::N-{4-[2-(2-Hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-4-[4-(3-trifluoromethyl-phenyl)-thiazol-2-yl]-benzenesulfonamide

SMILES: O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(cs2)-c2cccc(c2)C(F)(F)F)cc1)c1cccnc1

InChI Key: InChIKey=PXQITGQLJXJUBG-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 = 50092648   

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))	BDBM50092648 (CHEMBL338794 | N-{4-[2-(2-Hydroxy-2-pyridin-3-yl-e...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(cs2)-c2cccc(c2)C(F)(F)F)cc1)c1cccnc1 Show InChI InChI=1S/C31H27F3N4O3S2/c32-31(33,34)25-5-1-3-23(17-25)28-20-42-30(37-28)22-8-12-27(13-9-22)43(40,41)38-26-10-6-21(7-11-26)14-16-36-19-29(39)24-4-2-15-35-18-24/h1-13,15,17-18,20,29,36,38-39H,14,16,19H2/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	980	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity was evaluated on chinese hamster ovary (CHO) cells expressing the cloned human beta-2 adrenergic receptor in the presence of [125I]-...				J Med Chem 43: 3832-6 (2000) BindingDB Entry DOI: 10.7270/Q2057F5M
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50092648 (CHEMBL338794 | N-{4-[2-(2-Hydroxy-2-pyridin-3-yl-e...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(cs2)-c2cccc(c2)C(F)(F)F)cc1)c1cccnc1 Show InChI InChI=1S/C31H27F3N4O3S2/c32-31(33,34)25-5-1-3-23(17-25)28-20-42-30(37-28)22-8-12-27(13-9-22)43(40,41)38-26-10-6-21(7-11-26)14-16-36-19-29(39)24-4-2-15-35-18-24/h1-13,15,17-18,20,29,36,38-39H,14,16,19H2/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	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro functional efficacy in stimulating increase in cAMP in chinese hamster ovary (CHO) cells expressing the cloned human beta-1 receptor.				J Med Chem 43: 3832-6 (2000) BindingDB Entry DOI: 10.7270/Q2057F5M
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50092648 (CHEMBL338794 | N-{4-[2-(2-Hydroxy-2-pyridin-3-yl-e...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(cs2)-c2cccc(c2)C(F)(F)F)cc1)c1cccnc1 Show InChI InChI=1S/C31H27F3N4O3S2/c32-31(33,34)25-5-1-3-23(17-25)28-20-42-30(37-28)22-8-12-27(13-9-22)43(40,41)38-26-10-6-21(7-11-26)14-16-36-19-29(39)24-4-2-15-35-18-24/h1-13,15,17-18,20,29,36,38-39H,14,16,19H2/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	6.90	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro functional efficacy as increased cAMP in chinese hamster ovary (CHO) cells expressing human beta3 receptor				J Med Chem 43: 3832-6 (2000) BindingDB Entry DOI: 10.7270/Q2057F5M
					More data for this Ligand-Target Pair