Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 582.6 BDBM50141919

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))	BDBM50141919 ((R)-2-[(2S,3S)-3-{4-[5-(3,5-Difluoro-benzyl)-2-eth...) Show SMILES CCn1nc(Cc2cc(F)cc(F)c2)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C(C)C)C(O)=O)CC1 Show InChI InChI=1S/C33H41F3N4O2/c1-4-40-31(17-29(37-40)14-22-12-27(35)16-28(36)13-22)23-8-10-38(11-9-23)18-25-19-39(32(21(2)3)33(41)42)20-30(25)24-6-5-7-26(34)15-24/h5-7,12-13,15-17,21,23,25,30,32H,4,8-11,14,18-20H2,1-3H3,(H,41,42)/t25-,30+,32+/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	2.60	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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