BDBM50072385 CHEMBL320138::N-(4-{4-[2-((R)-2-Hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenylsulfamoyl}-phenyl)-4-phenyl-butyramide

SMILES: O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCCc3ccccc3)cc2)cc1)c1cccnc1

InChI Key: InChIKey=XGJADJYYZHOOAY-PMERELPUSA-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 = 50072385   

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))	BDBM50072385 (CHEMBL320138 | N-(4-{4-[2-((R)-2-Hydroxy-2-pyridin...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCCc3ccccc3)cc2)cc1)c1cccnc1 Show InChI InChI=1S/C31H34N4O4S/c36-30(26-9-5-20-32-22-26)23-33-21-19-25-11-13-28(14-12-25)35-40(38,39)29-17-15-27(16-18-29)34-31(37)10-4-8-24-6-2-1-3-7-24/h1-3,5-7,9,11-18,20,22,30,33,35-36H,4,8,10,19,21,23H2,(H,34,37)/t30-/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	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Beta-2 adrenergic receptor binding affinity in CHO cells expressing cloned human receptor in the presence of 125 I-iodocyanopindolol				Bioorg Med Chem Lett 8: 3087-92 (1999) BindingDB Entry DOI: 10.7270/Q25H7FF6
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50072385 (CHEMBL320138 | N-(4-{4-[2-((R)-2-Hydroxy-2-pyridin...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCCc3ccccc3)cc2)cc1)c1cccnc1 Show InChI InChI=1S/C31H34N4O4S/c36-30(26-9-5-20-32-22-26)23-33-21-19-25-11-13-28(14-12-25)35-40(38,39)29-17-15-27(16-18-29)34-31(37)10-4-8-24-6-2-1-3-7-24/h1-3,5-7,9,11-18,20,22,30,33,35-36H,4,8,10,19,21,23H2,(H,34,37)/t30-/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 Agonism against Beta-3 adrenergic receptor				Bioorg Med Chem Lett 8: 3087-92 (1999) BindingDB Entry DOI: 10.7270/Q25H7FF6
					More data for this Ligand-Target Pair
Beta-1 adrenergic receptor (Homo sapiens (Human))	BDBM50072385 (CHEMBL320138 | N-(4-{4-[2-((R)-2-Hydroxy-2-pyridin...) Show SMILES O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCCc3ccccc3)cc2)cc1)c1cccnc1 Show InChI InChI=1S/C31H34N4O4S/c36-30(26-9-5-20-32-22-26)23-33-21-19-25-11-13-28(14-12-25)35-40(38,39)29-17-15-27(16-18-29)34-31(37)10-4-8-24-6-2-1-3-7-24/h1-3,5-7,9,11-18,20,22,30,33,35-36H,4,8,10,19,21,23H2,(H,34,37)/t30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Beta-1 adrenergic receptor binding affinity in CHO cells expressing cloned human receptor in the presence of 125 I-iodocyanopindolol				Bioorg Med Chem Lett 8: 3087-92 (1999) BindingDB Entry DOI: 10.7270/Q25H7FF6
					More data for this Ligand-Target Pair