BDBM50339958 (E)-3-(2-(4-((4-bromophenyl)(ethoxyimino)methyl)piperidin-1-yl)propylcarbamoyl)-2,4-dimethylpyridine 1-oxide::CHEMBL1762303

SMILES: CCO[N-][C+](C1CCN(CC1)C(C)CNC(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(Br)cc1

InChI Key: InChIKey=ZAQPOANHTFMLPP-UHFFFAOYSA-N

Data: 1 IC50

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 1 hit for monomerid = 50339958   

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
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50339958 ((E)-3-(2-(4-((4-bromophenyl)(ethoxyimino)methyl)pi...) Show SMILES CCO[N-][C+](C1CCN(CC1)C(C)CNC(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(Br)cc1 Show InChI InChI=1S/C25H33BrN4O3/c1-5-33-28-24(20-6-8-22(26)9-7-20)21-11-13-29(14-12-21)18(3)16-27-25(31)23-17(2)10-15-30(32)19(23)4/h6-10,15,18,21H,5,11-14,16H2,1-4H3,(H,27,31)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genzyme Corp. Curated by ChEMBL					Assay Description Displacement of [128I]-RANTES from CCR5 expressed in HEK293F cells				Bioorg Med Chem Lett 21: 2450-5 (2011) Article DOI: 10.1016/j.bmcl.2011.02.058 BindingDB Entry DOI: 10.7270/Q2F76CV3
					More data for this Ligand-Target Pair