Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 656.7 BDBM50325326

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))	BDBM50325326 (1-allyl-1-((1R,3R,5S)-8-(((3S,4R)-1-(cyclopentanec...) Show SMILES O[C@@]1(CN(C[C@@H]1CN1[C@H]2CC[C@@H]1C[C@H](C2)N(CC=C)C(=O)NCc1ccc(cc1)C(F)(F)F)C(=O)C1CCCC1)c1cccc(F)c1 |r,THB:6:7:13.12.14:10.9| Show InChI InChI=1S/C36H44F4N4O3/c1-2-16-43(34(46)41-20-24-10-12-26(13-11-24)36(38,39)40)32-18-30-14-15-31(19-32)44(30)22-28-21-42(33(45)25-6-3-4-7-25)23-35(28,47)27-8-5-9-29(37)17-27/h2,5,8-13,17,25,28,30-32,47H,1,3-4,6-7,14-16,18-23H2,(H,41,46)/t28-,30-,31+,32-,35+/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	14.3	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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