Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 564.7 BDBM50141897

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))	BDBM50141897 ((R)-2-[(2S,3S)-3-{4-[2-Ethyl-5-(2-fluoro-benzyl)-2...) Show SMILES CCn1nc(Cc2ccccc2F)cc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C(C)C)C(O)=O)CC1 Show InChI InChI=1S/C33H42F2N4O2/c1-4-39-31(18-28(36-39)17-25-8-5-6-11-30(25)35)23-12-14-37(15-13-23)19-26-20-38(32(22(2)3)33(40)41)21-29(26)24-9-7-10-27(34)16-24/h5-11,16,18,22-23,26,29,32H,4,12-15,17,19-21H2,1-3H3,(H,40,41)/t26-,29+,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	2.20	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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