Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 463.6 BDBM50374077

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))	BDBM50374077 (CHEMBL255535) Show SMILES CC(C)c1nnc(C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CCN(C(=O)C1CCCCC1)c1ccccc1 |THB:17:16:10.9.15:13.12| Show InChI InChI=1S/C28H41N5O/c1-20(2)27-30-29-21(3)33(27)26-18-24-14-15-25(19-26)31(24)16-17-32(23-12-8-5-9-13-23)28(34)22-10-6-4-7-11-22/h5,8-9,12-13,20,22,24-26H,4,6-7,10-11,14-19H2,1-3H3/t24-,25+,26+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	970	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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