Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 696.7 BDBM50141964

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))	BDBM50141964 ((2R,4S)-2-[(2S,3S)-3-{4-[5-(3,5-Bis-trifluoromethy...) Show SMILES CC[C@H](C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cc(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)nn2CC)[C@H](C1)c1cccc(F)c1)C(O)=O Show InChI InChI=1S/C36H43F7N4O2/c1-4-22(3)33(34(48)49)46-20-26(31(21-46)25-7-6-8-29(37)16-25)19-45-11-9-24(10-12-45)32-18-30(44-47(32)5-2)15-23-13-27(35(38,39)40)17-28(14-23)36(41,42)43/h6-8,13-14,16-18,22,24,26,31,33H,4-5,9-12,15,19-21H2,1-3H3,(H,48,49)/t22-,26-,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	2.10	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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