BDBM50321719 CHEMBL1172070::Methyl-4-benzyl-1-((S)-3-(cyclobutanecarboxamido)-3-(naphthalen-4-yl)propyl)piperidine-4-carboxylate

SMILES: COC(=O)C1(Cc2ccccc2)CCN(CC[C@H](NC(=O)C2CCC2)c2cccc3ccccc23)CC1

InChI Key: InChIKey=VUJNAFHGPRIXFY-LJAQVGFWSA-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 = 50321719   

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))	BDBM50321719 (CHEMBL1172070 | Methyl-4-benzyl-1-((S)-3-(cyclobut...) Show SMILES COC(=O)C1(Cc2ccccc2)CCN(CC[C@H](NC(=O)C2CCC2)c2cccc3ccccc23)CC1 |r| Show InChI InChI=1S/C32H38N2O3/c1-37-31(36)32(23-24-9-3-2-4-10-24)18-21-34(22-19-32)20-17-29(33-30(35)26-13-7-14-26)28-16-8-12-25-11-5-6-15-27(25)28/h2-6,8-12,15-16,26,29H,7,13-14,17-23H2,1H3,(H,33,35)/t29-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Materia Medica Curated by ChEMBL					Assay Description Antagonist activity at CCR5 expressed in CHO cells assessed as inhibition of RANTES-stimulated GTPgammaS binding by scintillation proximity assay				Eur J Med Chem 45: 2827-40 (2010) Article DOI: 10.1016/j.ejmech.2010.03.003 BindingDB Entry DOI: 10.7270/Q2FB5341
					More data for this Ligand-Target Pair