BDBM50148689 CHEMBL120513::[1-(5-Benzenesulfonyl-3-phenyl-heptyl)-piperidin-4-yl]-ethyl-carbamic acid benzyl ester

SMILES: CCC(CC(CCN1CCC(CC1)N(CC)C(=O)OCc1ccccc1)c1ccccc1)S(=O)(=O)c1ccccc1

InChI Key: InChIKey=LOLWRZCPZJOLKK-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 = 50148689   

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))	BDBM50148689 (CHEMBL120513 | [1-(5-Benzenesulfonyl-3-phenyl-hept...) Show SMILES CCC(CC(CCN1CCC(CC1)N(CC)C(=O)OCc1ccccc1)c1ccccc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C34H44N2O4S/c1-3-32(41(38,39)33-18-12-7-13-19-33)26-30(29-16-10-6-11-17-29)20-23-35-24-21-31(22-25-35)36(4-2)34(37)40-27-28-14-8-5-9-15-28/h5-19,30-32H,3-4,20-27H2,1-2H3	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	8.80E+4	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