Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 586.5 BDBM50106957

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))	BDBM50106957 (Allyl-{1-[4-(4,5-dichloro-imidazol-1-yl)-3-phenyl-...) Show SMILES [O-][N+](=O)c1ccc(COC(=O)N(CC=C)C2CCN(CCC(Cn3cnc(Cl)c3Cl)c3ccccc3)CC2)cc1 Show InChI InChI=1S/C29H33Cl2N5O4/c1-2-15-35(29(37)40-20-22-8-10-26(11-9-22)36(38)39)25-13-17-33(18-14-25)16-12-24(23-6-4-3-5-7-23)19-34-21-32-27(30)28(34)31/h2-11,21,24-25H,1,12-20H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against C-C chemokine receptor type 5 stably expressed in Chinese hamster ovary (CHO) cells using [125I]-MIP-1 alpha as the radiolig...				Bioorg Med Chem Lett 11: 3103-6 (2001) BindingDB Entry DOI: 10.7270/Q2FT8K91
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