Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 581.7 BDBM50313881

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))	BDBM50313881 ((5S)-5-butyl-9-((3aR,6aS)-2-(4,6-dimethylpyrimidin...) Show SMILES CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC11CCN(CC1)C1(C)C[C@@H]2CN(C[C@@H]2C1)C(=O)c1c(C)ncnc1C |r| Show InChI InChI=1S/C33H51N5O4/c1-5-6-7-28-21-37(18-25-8-14-41-15-9-25)31(40)42-33(28)10-12-38(13-11-33)32(4)16-26-19-36(20-27(26)17-32)30(39)29-23(2)34-22-35-24(29)3/h22,25-28H,5-21H2,1-4H3/t26-,27+,28-,32?/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	25	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
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