BDBM50338815 CHEMBL1684577::N-(4-(((5R)-5-((R)-hydroxy(phenyl)methyl)pyrrolidin-2-yl)methyl)phenyl)-4-(4-(4-(trifluoromethyl)phenyl)thiazol-2-yl)benzenesulfonamide

SMILES: O[C@@H]([C@H]1CCC(Cc2ccc(NS(=O)(=O)c3ccc(cc3)-c3nc(cs3)-c3ccc(cc3)C(F)(F)F)cc2)N1)c1ccccc1

InChI Key: InChIKey=CVNUDPVQPWCUGZ-BVTIKDNYSA-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 = 50338815   

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))	BDBM50338815 (CHEMBL1684577 | N-(4-(((5R)-5-((R)-hydroxy(phenyl)...) Show SMILES O[C@@H]([C@H]1CCC(Cc2ccc(NS(=O)(=O)c3ccc(cc3)-c3nc(cs3)-c3ccc(cc3)C(F)(F)F)cc2)N1)c1ccccc1 |r| Show InChI InChI=1S/C34H30F3N3O3S2/c35-34(36,37)26-12-8-23(9-13-26)31-21-44-33(39-31)25-10-17-29(18-11-25)45(42,43)40-27-14-6-22(7-15-27)20-28-16-19-30(38-28)32(41)24-4-2-1-3-5-24/h1-15,17-18,21,28,30,32,38,40-41H,16,19-20H2/t28?,30-,32-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human beta2 adrenergic receptor				Bioorg Med Chem Lett 21: 1865-70 (2011) Article DOI: 10.1016/j.bmcl.2010.12.087 BindingDB Entry DOI: 10.7270/Q27081R3
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50338815 (CHEMBL1684577 | N-(4-(((5R)-5-((R)-hydroxy(phenyl)...) Show SMILES O[C@@H]([C@H]1CCC(Cc2ccc(NS(=O)(=O)c3ccc(cc3)-c3nc(cs3)-c3ccc(cc3)C(F)(F)F)cc2)N1)c1ccccc1 |r| Show InChI InChI=1S/C34H30F3N3O3S2/c35-34(36,37)26-12-8-23(9-13-26)31-21-44-33(39-31)25-10-17-29(18-11-25)45(42,43)40-27-14-6-22(7-15-27)20-28-16-19-30(38-28)32(41)24-4-2-1-3-5-24/h1-15,17-18,21,28,30,32,38,40-41H,16,19-20H2/t28?,30-,32-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.93E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human beta1 adrenergic receptor				Bioorg Med Chem Lett 21: 1865-70 (2011) Article DOI: 10.1016/j.bmcl.2010.12.087 BindingDB Entry DOI: 10.7270/Q27081R3
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50338815 (CHEMBL1684577 | N-(4-(((5R)-5-((R)-hydroxy(phenyl)...) Show SMILES O[C@@H]([C@H]1CCC(Cc2ccc(NS(=O)(=O)c3ccc(cc3)-c3nc(cs3)-c3ccc(cc3)C(F)(F)F)cc2)N1)c1ccccc1 |r| Show InChI InChI=1S/C34H30F3N3O3S2/c35-34(36,37)26-12-8-23(9-13-26)31-21-44-33(39-31)25-10-17-29(18-11-25)45(42,43)40-27-14-6-22(7-15-27)20-28-16-19-30(38-28)32(41)24-4-2-1-3-5-24/h1-15,17-18,21,28,30,32,38,40-41H,16,19-20H2/t28?,30-,32-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	15	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human beta3 adrenergic receptor				Bioorg Med Chem Lett 21: 1865-70 (2011) Article DOI: 10.1016/j.bmcl.2010.12.087 BindingDB Entry DOI: 10.7270/Q27081R3
					More data for this Ligand-Target Pair