BDBM50148686 Allyl-[1-(5-benzenesulfonyl-3-methyl-3-phenyl-hexyl)-piperidin-4-yl]-carbamic acid 4-nitro-benzyl ester::CHEMBL324284

SMILES: CC(CC(C)(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccc(cc1)[N+]([O-])=O)c1ccccc1)S(=O)(=O)c1ccccc1

InChI Key: InChIKey=CZYNCIXDZFOXDH-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 = 50148686   

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))	BDBM50148686 (Allyl-[1-(5-benzenesulfonyl-3-methyl-3-phenyl-hexy...) Show SMILES CC(CC(C)(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccc(cc1)[N+]([O-])=O)c1ccccc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C35H43N3O6S/c1-4-22-37(34(39)44-27-29-15-17-32(18-16-29)38(40)41)31-19-23-36(24-20-31)25-21-35(3,30-11-7-5-8-12-30)26-28(2)45(42,43)33-13-9-6-10-14-33/h4-18,28,31H,1,19-27H2,2-3H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Concentration required to inhibit [125I]-MIP-1 alpha binding to C-C chemokine receptor type 5				Bioorg Med Chem Lett 14: 3589-93 (2004) Article DOI: 10.1016/j.bmcl.2004.03.112 BindingDB Entry DOI: 10.7270/Q20001KN
					More data for this Ligand-Target Pair