Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 567.7 BDBM50313879

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))	BDBM50313879 ((5S)-5-butyl-9-((3aR,6aS)-2-(4,6-dimethylpyrimidin...) Show SMILES CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC11CCN(CC1)C1C[C@H]2CN(C[C@H]2C1)C(=O)c1c(C)ncnc1C |r| Show InChI InChI=1S/C32H49N5O4/c1-4-5-6-27-20-37(17-24-7-13-40-14-8-24)31(39)41-32(27)9-11-35(12-10-32)28-15-25-18-36(19-26(25)16-28)30(38)29-22(2)33-21-34-23(29)3/h21,24-28H,4-20H2,1-3H3/t25-,26+,27-,28?/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	14	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Displacement of [128I]-RANTES from CCR5 receptor receptors expressed in CHO cells				Bioorg Med Chem Lett 20: 1830-3 (2010) Article DOI: 10.1016/j.bmcl.2010.02.004 BindingDB Entry DOI: 10.7270/Q25Q4W7T
					More data for this Ligand-Target Pair