Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 829.3 BDBM50331663

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))	BDBM50331663 (CHEMBL1288875 | methyl 4-((allyl(1-(2-(1-(5-(N-ter...) Show SMILES COC(=O)c1ccc(COC(=O)N(CC=C)C2CCN(CCC3(CCN(CC3)C(=O)c3cc(c(F)cc3Cl)S(=O)(=O)NC(C)(C)C)c3cccc(F)c3)CC2)cc1 Show InChI InChI=1S/C42H51ClF2N4O7S/c1-6-19-49(40(52)56-28-29-10-12-30(13-11-29)39(51)55-5)33-14-20-47(21-15-33)22-16-42(31-8-7-9-32(44)25-31)17-23-48(24-18-42)38(50)34-26-37(36(45)27-35(34)43)57(53,54)46-41(2,3)4/h6-13,25-27,33,46H,1,14-24,28H2,2-5H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at CCR5 in HOS cells assessed as inhibition of HIV-1 Ba-L infection				Bioorg Med Chem Lett 20: 7397-400 (2010) Article DOI: 10.1016/j.bmcl.2010.10.033 BindingDB Entry DOI: 10.7270/Q27081P6
					More data for this Ligand-Target Pair