Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 544.6 BDBM50313874

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))	BDBM50313874 ((2,4-dimethylpyridin-3-yl)((3aR,6aS)-5-((S)-4-((R)...) Show SMILES COC[C@H](N1CCN(C[C@@H]1C)C1C[C@H]2CN(C[C@H]2C1)C(=O)c1c(C)ccnc1C)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C30H39F3N4O2/c1-19-9-10-34-21(3)28(19)29(38)36-16-23-13-26(14-24(23)17-36)35-11-12-37(20(2)15-35)27(18-39-4)22-5-7-25(8-6-22)30(31,32)33/h5-10,20,23-24,26-27H,11-18H2,1-4H3/t20-,23-,24+,26?,27-/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	>500	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 CCR5 receptor receptors expressed in CHO cells				Bioorg Med Chem Lett 20: 1830-3 (2010) Article DOI: 10.1016/j.bmcl.2010.02.004 BindingDB Entry DOI: 10.7270/Q25Q4W7T
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