Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 623.7 BDBM50310745

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))	BDBM50310745 ((S)-5-butyl-9-(1-(4,6-dimethyl-2-(trifluoromethyl)...) Show SMILES CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)nc(nc1C)C(F)(F)F |r| Show InChI InChI=1S/C32H48F3N5O4/c1-5-6-7-25-21-39(20-24-8-18-43-19-9-24)29(42)44-31(25)12-16-40(17-13-31)30(4)10-14-38(15-11-30)27(41)26-22(2)36-28(32(33,34)35)37-23(26)3/h24-25H,5-21H2,1-4H3/t25-/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	97	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Displacement of [125I]RANTES from human CCR5 receptor cotransfected with Galphai6 in CHO cells				Bioorg Med Chem Lett 19: 5401-6 (2009) Article DOI: 10.1016/j.bmcl.2009.07.122 BindingDB Entry DOI: 10.7270/Q25H7GD5
					More data for this Ligand-Target Pair