Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 499.6 BDBM50257687

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))	BDBM50257687 (CHEMBL492544 | N,N-dimethyl-4-(2-(3-(2-methyl-1H-b...) Show SMILES CN(C)C(=O)N1CCC(CCN2[C@H]3CC[C@@H]2C[C@@H](C3)n2c(C)nc3ccccc23)(CC1)c1ccccc1 |r,THB:19:17:11:13.14| Show InChI InChI=1S/C31H41N5O/c1-23-32-28-11-7-8-12-29(28)36(23)27-21-25-13-14-26(22-27)35(25)20-17-31(24-9-5-4-6-10-24)15-18-34(19-16-31)30(37)33(2)3/h4-12,25-27H,13-22H2,1-3H3/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	21	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1beta from CCR5 (unknown origin) expressed in CHO cell membrane				Bioorg Med Chem Lett 19: 1610-3 (2009) Article DOI: 10.1016/j.bmcl.2009.02.014 BindingDB Entry DOI: 10.7270/Q2VQ32JR
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