Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 604.4 BDBM50359467

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))	BDBM50359467 (CHEMBL1926884) Show SMILES CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)N(Cc1cccc(c1)C#N)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C30H30Cl2F3N5O/c1-20(9-12-38-29(41)28-26(31)17-37-18-27(28)32)39-13-10-25(11-14-39)40(19-22-4-2-3-21(15-22)16-36)24-7-5-23(6-8-24)30(33,34)35/h2-8,15,17-18,20,25H,9-14,19H2,1H3,(H,38,41)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Genzyme Corp. Curated by ChEMBL					Assay Description Antagonist activity against human CCR5 assessed as inhibition of HIV1 gp120-induced cell-cell fusion between human HeLa P4/R5 cells and CHO-tat10 cel...				Bioorg Med Chem Lett 21: 6950-4 (2011) Article DOI: 10.1016/j.bmcl.2011.09.133 BindingDB Entry DOI: 10.7270/Q2GM87RZ
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