Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 452.6 BDBM50374088

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))	BDBM50374088 (CHEMBL411640) Show SMILES CCCNC(=O)N(CCCN1[C@H]2CC[C@@H]1C[C@@H](C2)n1c(C)nnc1C(C)C)c1ccccc1 |THB:9:10:17.16.15:13.12| Show InChI InChI=1S/C26H40N6O/c1-5-14-27-26(33)31(21-10-7-6-8-11-21)16-9-15-30-22-12-13-23(30)18-24(17-22)32-20(4)28-29-25(32)19(2)3/h6-8,10-11,19,22-24H,5,9,12-18H2,1-4H3,(H,27,33)/t22-,23+,24+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	271	n/a	n/a	n/a	n/a	n/a	n/a
K£mia, Inc. Curated by ChEMBL					Assay Description Displacement of [125I]MIP1beta from human recombinant CCR5 receptor expressed in CHOK1 cells				Bioorg Med Chem Lett 18: 1498-501 (2008) Article DOI: 10.1016/j.bmcl.2007.12.058 BindingDB Entry DOI: 10.7270/Q2V125PH
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