Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 617.8 BDBM50364766

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))	BDBM50364766 (CHEMBL1951907) Show SMILES CCN(C1CCN(CCC(C2CCN(CC2)S(=O)(=O)CC)c2ccccc2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C32H47N3O5S2/c1-4-35(32(36)25-26-11-13-30(14-12-26)41(3,37)38)29-17-20-33(21-18-29)22-19-31(27-9-7-6-8-10-27)28-15-23-34(24-16-28)42(39,40)5-2/h6-14,28-29,31H,4-5,15-25H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1alpha from human recombinant CCR5 expressed in CHO cells				Bioorg Med Chem Lett 22: 1655-9 (2012) Article DOI: 10.1016/j.bmcl.2011.12.117 BindingDB Entry DOI: 10.7270/Q25H7GQ6
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