Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 695.8 BDBM50325323

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))	BDBM50325323 (4-((3-allyl-3-((1R,3S,5S)-8-(((3S,4R)-1-(cyclopent...) Show SMILES CN(C)S(=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:26:25:18.24.19:22.21| Show InChI InChI=1S/C37H50FN5O5S/c1-4-18-42(36(45)39-22-26-12-16-34(17-13-26)49(47,48)40(2)3)33-20-31-14-15-32(21-33)43(31)24-29-23-41(35(44)27-8-5-6-9-27)25-37(29,46)28-10-7-11-30(38)19-28/h4,7,10-13,16-17,19,27,29,31-33,46H,1,5-6,8-9,14-15,18,20-25H2,2-3H3,(H,39,45)/t29-,31-,32+,33+,37+/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	11.4	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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