Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 590.7 BDBM50488252

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))	BDBM50488252 (CHEMBL2282503) Show SMILES CN(CC(CCN1CCC(CC1)N(CC=C)C(=O)c1ccc(cc1)[N+]([O-])=O)c1ccccc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C32H38N4O5S/c1-3-21-35(32(37)27-14-16-30(17-15-27)36(38)39)29-19-23-34(24-20-29)22-18-28(26-10-6-4-7-11-26)25-33(2)42(40,41)31-12-8-5-9-13-31/h3-17,28-29H,1,18-25H2,2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article	n/a	n/a	2	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/s00044-012-0138-3 BindingDB Entry DOI: 10.7270/Q2W3807W
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