BDBM50319435 (R)-3-(1'-(4,6-dimethylpyrimidine-5-carbonyl)-4'-methyl-1,4'-bipiperidin-4-yl)-1-((trans-4-methoxycyclohexyl)methyl)-4-phenylimidazolidin-2-one::CHEMBL1085222

SMILES: CO[C@H]1CC[C@H](CN2C[C@H](N(C3CCN(CC3)C3(C)CCN(CC3)C(=O)c3c(C)ncnc3C)C2=O)c2ccccc2)CC1

InChI Key: InChIKey=NJZLCVZALWTNEZ-NAYUSWPISA-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 = 50319435   

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))	BDBM50319435 ((R)-3-(1'-(4,6-dimethylpyrimidine-5-carbonyl)-4'-m...) Show SMILES CO[C@H]1CC[C@H](CN2C[C@H](N(C3CCN(CC3)C3(C)CCN(CC3)C(=O)c3c(C)ncnc3C)C2=O)c2ccccc2)CC1 |r,wU:9.39,5.5,wD:2.1,(-10.68,-6.97,;-9.34,-6.21,;-9.33,-4.68,;-7.98,-3.91,;-7.97,-2.37,;-9.3,-1.6,;-9.29,-.06,;-7.96,.71,;-8.02,2.24,;-6.58,2.78,;-5.62,1.59,;-4.08,1.65,;-3.37,3.03,;-1.83,3.1,;-1,1.79,;-1.71,.42,;-3.26,.36,;.54,1.86,;-.25,3.2,;1.36,.56,;2.89,.62,;3.61,1.98,;2.79,3.29,;1.24,3.23,;5.15,2.04,;5.87,3.4,;5.97,.74,;7.5,.81,;8.22,2.17,;8.33,-.49,;7.61,-1.86,;6.07,-1.92,;5.25,-.62,;3.71,-.68,;-6.47,.29,;-5.93,-1.15,;-5.81,4.11,;-4.26,4.1,;-3.49,5.43,;-4.25,6.77,;-5.8,6.77,;-6.57,5.44,;-10.64,-2.36,;-10.65,-3.89,)| Show InChI InChI=1S/C35H50N6O3/c1-25-32(26(2)37-24-36-25)33(42)38-20-16-35(3,17-21-38)40-18-14-29(15-19-40)41-31(28-8-6-5-7-9-28)23-39(34(41)43)22-27-10-12-30(44-4)13-11-27/h5-9,24,27,29-31H,10-23H2,1-4H3/t27-,30-,31-/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	62	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