Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 569.5 BDBM50359473

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))	BDBM50359473 (CHEMBL1926876) Show SMILES COC(=O)c1ccc(cc1)N(Cc1ccccc1)C1CCN(CC1)C(C)CCNC(=O)c1c(Cl)cncc1Cl Show InChI InChI=1S/C30H34Cl2N4O3/c1-21(12-15-34-29(37)28-26(31)18-33-19-27(28)32)35-16-13-25(14-17-35)36(20-22-6-4-3-5-7-22)24-10-8-23(9-11-24)30(38)39-2/h3-11,18-19,21,25H,12-17,20H2,1-2H3,(H,34,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	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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