Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 658.8 BDBM50142004

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))	BDBM50142004 ((R)-[(2S,3S)-3-{4-[5-(4-tert-Butoxy-benzyl)-2-ethy...) Show SMILES CCn1nc(Cc2ccc(OC(C)(C)C)cc2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C2CCCCC2)C(O)=O)CC1 Show InChI InChI=1S/C40H55FN4O3/c1-5-45-37(24-34(42-45)22-28-14-16-35(17-15-28)48-40(2,3)4)29-18-20-43(21-19-29)25-32-26-44(27-36(32)31-12-9-13-33(41)23-31)38(39(46)47)30-10-7-6-8-11-30/h9,12-17,23-24,29-30,32,36,38H,5-8,10-11,18-22,25-27H2,1-4H3,(H,46,47)/t32-,36+,38+/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	0.5	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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