Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 629.8 BDBM50173382

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))	BDBM50173382 (CHEMBL373214 | N-Ethyl-N-{1-[3-(3-fluoro-phenyl)-3...) Show SMILES CCN(C1CCN(CCC(c2ccc(NS(C)(=O)=O)cc2)c2cccc(F)c2)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C32H40FN3O5S2/c1-4-36(32(37)22-24-8-14-30(15-9-24)42(2,38)39)29-16-19-35(20-17-29)21-18-31(26-6-5-7-27(33)23-26)25-10-12-28(13-11-25)34-43(3,40)41/h5-15,23,29,31,34H,4,16-22H2,1-3H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]-MIP-1 alpha from human C-C chemokine receptor type 5 expressed in CHO cells				Bioorg Med Chem Lett 15: 5012-5 (2005) Article DOI: 10.1016/j.bmcl.2005.08.014 BindingDB Entry DOI: 10.7270/Q23R0SFG
					More data for this Ligand-Target Pair