Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 618.8 BDBM50142000

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))	BDBM50142000 ((2R,4R)-2-[(2S,3S)-3-{4-[2-Ethyl-5-(4-propoxy-benz...) Show SMILES CCCOc1ccc(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)cc1 Show InChI InChI=1S/C37H51FN4O3/c1-5-19-45-33-13-11-27(12-14-33)20-32-22-35(42(7-3)39-32)28-15-17-40(18-16-28)23-30-24-41(36(37(43)44)26(4)6-2)25-34(30)29-9-8-10-31(38)21-29/h8-14,21-22,26,28,30,34,36H,5-7,15-20,23-25H2,1-4H3,(H,43,44)/t26-,30+,34-,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	1.20	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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