Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 527.7 BDBM50257688

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))	BDBM50257688 (CHEMBL509179 | N,N-diethyl-4-(2-(3-(2-methyl-1H-be...) Show SMILES CCN(CC)C(=O)N1CCC(CCN2[C@H]3CC[C@@H]2C[C@@H](C3)n2c(C)nc3ccccc23)(CC1)c1ccccc1 |r,THB:21:19:13:15.16| Show InChI InChI=1S/C33H45N5O/c1-4-35(5-2)32(39)36-20-17-33(18-21-36,26-11-7-6-8-12-26)19-22-37-27-15-16-28(37)24-29(23-27)38-25(3)34-30-13-9-10-14-31(30)38/h6-14,27-29H,4-5,15-24H2,1-3H3/t27-,28+,29+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	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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