Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 608.7 BDBM50325316

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))	BDBM50325316 (4-nitrobenzyl allyl(1-(((3S,4R)-1-(cyclopentanecar...) Show SMILES O[C@@]1(CN(C[C@@H]1CN1CCC(CC1)N(CC=C)C(=O)OCc1ccc(cc1)[N+]([O-])=O)C(=O)C1CCCC1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C33H41FN4O6/c1-2-17-37(32(40)44-22-24-7-13-30(14-8-24)38(42)43)29-15-18-35(19-16-29)20-27-21-36(31(39)25-5-3-4-6-25)23-33(27,41)26-9-11-28(34)12-10-26/h2,7-14,25,27,29,41H,1,3-6,15-23H2/t27-,33-/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	30	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human CCR5 expressed in CHO cells assessed as inhibition of RANTES-stimulated [35S]GTPgammaS binding				Bioorg Med Chem Lett 20: 5334-6 (2010) Article DOI: 10.1016/j.bmcl.2010.05.046 BindingDB Entry DOI: 10.7270/Q2J67H49
					More data for this Ligand-Target Pair