Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 621.8 BDBM50185678

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))	BDBM50185678 ((R)-N-(1-(3-(3-cyanophenyl)-3-(4-(methylsulfonyl)p...) Show SMILES CCN(C1CCN(CC[C@H](c2ccc(cc2)S(C)(=O)=O)c2cccc(c2)C#N)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C33H39N3O5S2/c1-4-36(33(37)23-25-8-12-30(13-9-25)42(2,38)39)29-16-19-35(20-17-29)21-18-32(28-7-5-6-26(22-28)24-34)27-10-14-31(15-11-27)43(3,40)41/h5-15,22,29,32H,4,16-21,23H2,1-3H3/t32-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]MIP-1alpha to human recombinant CCR5 expressed in CHO cells				Bioorg Med Chem Lett 16: 3533-6 (2006) Article DOI: 10.1016/j.bmcl.2006.03.089 BindingDB Entry DOI: 10.7270/Q24B30XJ
					More data for this Ligand-Target Pair