Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 604.7 BDBM50141998

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))	BDBM50141998 ((2R,4R)-2-[(2S,3S)-3-{4-[5-(3-Ethoxy-benzyl)-2-eth...) Show SMILES CCOc1cccc(Cc2cc(C3CCN(C[C@H]4CN(C[C@@H]4c4cccc(F)c4)[C@H]([C@H](C)CC)C(O)=O)CC3)n(CC)n2)c1 Show InChI InChI=1S/C36H49FN4O3/c1-5-25(4)35(36(42)43)40-23-29(33(24-40)28-11-9-12-30(37)20-28)22-39-16-14-27(15-17-39)34-21-31(38-41(34)6-2)18-26-10-8-13-32(19-26)44-7-3/h8-13,19-21,25,27,29,33,35H,5-7,14-18,22-24H2,1-4H3,(H,42,43)/t25-,29+,33-,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	0.800	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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