Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 383.5 BDBM50318442

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))	BDBM50318442 (CHEMBL1096101 | N-((S)-3-((3aR,6aS)-5-acetylhexahy...) Show SMILES CC(=O)N1C[C@@H]2CN(CC[C@H](NC(=O)C3CCCC3)c3ccccc3)C[C@@H]2C1 |r| Show InChI InChI=1S/C23H33N3O2/c1-17(27)26-15-20-13-25(14-21(20)16-26)12-11-22(18-7-3-2-4-8-18)24-23(28)19-9-5-6-10-19/h2-4,7-8,19-22H,5-6,9-16H2,1H3,(H,24,28)/t20-,21+,22-/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	465	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 radiolabeled RANTES binding assay				Bioorg Med Chem Lett 20: 3116-9 (2010) Article DOI: 10.1016/j.bmcl.2010.03.095 BindingDB Entry DOI: 10.7270/Q27S7PQ2
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