Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 614.9 BDBM50339973

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))	BDBM50339973 (3,5-dichloro-N-(3-(4-((2-chlorophenoxy)(4-(trifluo...) Show SMILES CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)C(Oc1ccccc1Cl)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C29H29Cl3F3N3O2/c1-18(10-13-37-28(39)26-23(31)16-36-17-24(26)32)38-14-11-20(12-15-38)27(40-25-5-3-2-4-22(25)30)19-6-8-21(9-7-19)29(33,34)35/h2-9,16-18,20,27H,10-15H2,1H3,(H,37,39)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Genzyme Corp. Curated by ChEMBL					Assay Description Displacement of [128I]-RANTES from CCR5 expressed in HEK293F cells				Bioorg Med Chem Lett 21: 2450-5 (2011) Article DOI: 10.1016/j.bmcl.2011.02.058 BindingDB Entry DOI: 10.7270/Q2F76CV3
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