Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 661.2 BDBM50488235

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))	BDBM50488235 (CHEMBL2281959) Show SMILES OC1(CNC(=O)Nc2c(Cl)cc(Cl)cc2Cl)CCC(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 |(25.33,-54.76,;24.58,-53.43,;25.9,-52.65,;25.88,-51.11,;27.21,-50.32,;27.19,-48.78,;28.55,-51.08,;29.88,-50.3,;31.21,-51.06,;31.22,-52.6,;32.54,-50.27,;32.52,-48.73,;33.85,-47.95,;31.17,-47.98,;29.85,-48.76,;28.51,-48.01,;23.24,-54.2,;21.91,-53.43,;21.91,-51.9,;20.57,-51.13,;19.24,-51.91,;17.91,-51.15,;16.58,-51.92,;15.25,-51.15,;16.58,-53.46,;17.91,-54.23,;19.25,-53.46,;20.58,-54.23,;20.59,-55.77,;21.92,-56.54,;21.92,-58.07,;23.25,-58.84,;24.58,-58.07,;25.92,-58.83,;24.58,-56.52,;23.24,-55.76,;23.24,-51.12,;24.57,-51.89,)| Show InChI InChI=1S/C28H27BrCl4N2O3/c29-20-3-6-25(38-15-18-1-4-21(30)5-2-18)19(12-20)11-17-7-9-28(37,10-8-17)16-34-27(36)35-26-23(32)13-22(31)14-24(26)33/h1-6,12-14,17,37H,7-11,15-16H2,(H2,34,35,36)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at Homo sapiens (human) CCR5 receptor				Citation and Details Article DOI: 10.1007/s00044-012-0118-7 BindingDB Entry DOI: 10.7270/Q24J0J1F
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