Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 486.6 BDBM50374087

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))	BDBM50374087 (CHEMBL272490) Show SMILES CC(C)c1nnc(C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCCN(C(=O)Nc1ccccc1)c1ccccc1 |THB:17:16:10.9.15:13.12| Show InChI InChI=1S/C29H38N6O/c1-21(2)28-32-31-22(3)35(28)27-19-25-15-16-26(20-27)33(25)17-10-18-34(24-13-8-5-9-14-24)29(36)30-23-11-6-4-7-12-23/h4-9,11-14,21,25-27H,10,15-20H2,1-3H3,(H,30,36)/t25-,26+,27+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	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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