Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 626.8 BDBM50185682

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))	BDBM50185682 ((S)-N-ethyl-N-(1-(3-(4-methoxyphenyl)-3-(4-(methyl...) Show SMILES CCN(C1CCN(CC[C@@H](c2ccc(OC)cc2)c2ccc(cc2)S(C)(=O)=O)CC1)C(=O)Cc1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C33H42N2O6S2/c1-5-35(33(36)24-25-6-14-30(15-7-25)42(3,37)38)28-18-21-34(22-19-28)23-20-32(26-8-12-29(41-2)13-9-26)27-10-16-31(17-11-27)43(4,39)40/h6-17,28,32H,5,18-24H2,1-4H3/t32-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	132	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