Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 608.7 BDBM50325317

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))	BDBM50325317 (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)c1cccc(F)c1 |r| Show InChI InChI=1S/C33H41FN4O6/c1-2-16-37(32(40)44-22-24-10-12-30(13-11-24)38(42)43)29-14-17-35(18-15-29)20-27-21-36(31(39)25-6-3-4-7-25)23-33(27,41)26-8-5-9-28(34)19-26/h2,5,8-13,19,25,27,29,41H,1,3-4,6-7,14-18,20-23H2/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	8.85	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
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