Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 681.8 BDBM50325325

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))	BDBM50325325 (4-((3-allyl-3-((1R,3S,5S)-8-(((3S,4R)-1-(cyclopent...) Show SMILES CNS(=O)(=O)c1ccc(CNC(=O)N(CC=C)[C@@H]2C[C@@H]3CC[C@H](C2)N3C[C@H]2CN(C[C@]2(O)c2cccc(F)c2)C(=O)C2CCCC2)cc1 |r,THB:25:24:17.23.18:21.20| Show InChI InChI=1S/C36H48FN5O5S/c1-3-17-41(35(44)39-21-25-11-15-33(16-12-25)48(46,47)38-2)32-19-30-13-14-31(20-32)42(30)23-28-22-40(34(43)26-7-4-5-8-26)24-36(28,45)27-9-6-10-29(37)18-27/h3,6,9-12,15-16,18,26,28,30-32,38,45H,1,4-5,7-8,13-14,17,19-24H2,2H3,(H,39,44)/t28-,30-,31+,32+,36+/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	3.98	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