Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 610.8 BDBM50418546

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))	BDBM50418546 (CHEMBL1784399) Show SMILES Cc1nc2cc(ccc2n1C1CC2CCC(C1)N2CCC1(CCN(CC1)C(=O)c1ccccc1)c1ccccc1)S(C)(=O)=O Show InChI InChI=1S/C36H42N4O3S/c1-26-37-33-25-32(44(2,42)43)15-16-34(33)40(26)31-23-29-13-14-30(24-31)39(29)22-19-36(28-11-7-4-8-12-28)17-20-38(21-18-36)35(41)27-9-5-3-6-10-27/h3-12,15-16,25,29-31H,13-14,17-24H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Displacement of 125I-MIP-1beta from human CCR5 receptor after 4 hrs by scintillation counting				J Med Chem 54: 3756-67 (2011) Article DOI: 10.1021/jm200279v BindingDB Entry DOI: 10.7270/Q26111K7
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