Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 554.7 BDBM50319440

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50319440 (CHEMBL1083437 | rac-4-butyl-3-(1'-(4,6-dimethylpyr...) Show SMILES CCCCC1CN(CC2CCOCC2)C(=O)N1C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C Show InChI InChI=1S/C31H50N6O3/c1-5-6-7-27-21-35(20-25-10-18-40-19-11-25)30(39)37(27)26-8-14-36(15-9-26)31(4)12-16-34(17-13-31)29(38)28-23(2)32-22-33-24(28)3/h22,25-27H,5-21H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43	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