Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 455.5 BDBM50312849

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))	BDBM50312849 (CHEMBL1081486 | Endo-N-((S)-3-(5-(3,5-dimethyl-4H-...) Show SMILES Cc1nnc(C)n1[C@H]1C[C@H]2CN(CC[C@H](NC(=O)C3CCOC3)c3cccc(F)c3)C[C@H]2C1 |r| Show InChI InChI=1S/C25H34FN5O2/c1-16-28-29-17(2)31(16)23-11-20-13-30(14-21(20)12-23)8-6-24(18-4-3-5-22(26)10-18)27-25(32)19-7-9-33-15-19/h3-5,10,19-21,23-24H,6-9,11-15H2,1-2H3,(H,27,32)/t19?,20-,21+,23-,24-/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	18	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto Curated by ChEMBL					Assay Description Displacement of [128I]RANTES from human CCR5 receptor coexpressed with Galphai6 in CHO cells after 2 hrs by scintillation counting				Bioorg Med Chem Lett 20: 1674-6 (2010) Article DOI: 10.1016/j.bmcl.2010.01.080 BindingDB Entry DOI: 10.7270/Q23B6131
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