Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 590.7 BDBM50141890

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))	BDBM50141890 ((R)-2-[(2S,3S)-3-{4-[2-Ethyl-5-(3-methoxy-benzyl)-...) Show SMILES CCn1nc(Cc2cccc(OC)c2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@@H](C(O)=O)C(C)(C)C)CC1 Show InChI InChI=1S/C35H47FN4O3/c1-6-40-32(20-29(37-40)17-24-9-7-12-30(18-24)43-5)25-13-15-38(16-14-25)21-27-22-39(33(34(41)42)35(2,3)4)23-31(27)26-10-8-11-28(36)19-26/h7-12,18-20,25,27,31,33H,6,13-17,21-23H2,1-5H3,(H,41,42)/t27-,31+,33-/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	0.700	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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