Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 604.7 BDBM50142003

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))	BDBM50142003 ((R)-2-[(2S,3S)-3-{4-[5-(3-Ethoxy-benzyl)-2-ethyl-2...) Show SMILES CCOc1cccc(Cc2cc(C3CCN(C[C@H]4CN(C[C@@H]4c4cccc(F)c4)[C@@H](C(O)=O)C(C)(C)C)CC3)n(CC)n2)c1 Show InChI InChI=1S/C36H49FN4O3/c1-6-41-33(21-30(38-41)18-25-10-8-13-31(19-25)44-7-2)26-14-16-39(17-15-26)22-28-23-40(34(35(42)43)36(3,4)5)24-32(28)27-11-9-12-29(37)20-27/h8-13,19-21,26,28,32,34H,6-7,14-18,22-24H2,1-5H3,(H,42,43)/t28-,32+,34-/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	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration for displacement of [125I]-MIP-1 alpha from recombinant human CC chemokine receptor 5 (CCR5) expressed in CHO cell				Bioorg Med Chem Lett 14: 947-52 (2004) Article DOI: 10.1016/j.bmcl.2003.12.006 BindingDB Entry DOI: 10.7270/Q2F18Z5V
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