BDBM50319446 (R)-4,6-dimethyl-5-(4'-methyl-4-(2-oxo-5-phenyl-3-(tetrahydro-2H-pyran-4-yl)imidazolidin-1-yl)-1,4'-bipiperidine-1'-carbonyl)picolinonitrile::CHEMBL1085231

SMILES: Cc1cc(nc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N1[C@@H](CN(C2CCOCC2)C1=O)c1ccccc1)C#N

InChI Key: InChIKey=CAWUSVSAJWVLIE-PMERELPUSA-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 = 50319446   

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))	BDBM50319446 ((R)-4,6-dimethyl-5-(4'-methyl-4-(2-oxo-5-phenyl-3-...) Show SMILES Cc1cc(nc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N1[C@@H](CN(C2CCOCC2)C1=O)c1ccccc1)C#N |r| Show InChI InChI=1S/C34H44N6O3/c1-24-21-27(22-35)36-25(2)31(24)32(41)37-17-13-34(3,14-18-37)38-15-9-29(10-16-38)40-30(26-7-5-4-6-8-26)23-39(33(40)42)28-11-19-43-20-12-28/h4-8,21,28-30H,9-20,23H2,1-3H3/t30-/m0/s1	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	21	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Binding affinity at CCR5 receptor by radiolabelled RANTES binding assay				Bioorg Med Chem Lett 20: 3219-22 (2010) Article DOI: 10.1016/j.bmcl.2010.04.077 BindingDB Entry DOI: 10.7270/Q2FT8M63
					More data for this Ligand-Target Pair