Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 419.8 BDBM50337261

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-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50337261 ((S)-5-chloro-N-methyl-6-(3-methyl-4-(1-(trifluorom...) Show SMILES CNC(=O)c1cnc(N2CCN([C@@H](C)C2)C2CCN(CC2)C(F)(F)F)c(Cl)c1 |r| Show InChI InChI=1S/C18H25ClF3N5O/c1-12-11-25(16-15(19)9-13(10-24-16)17(28)23-2)7-8-27(12)14-3-5-26(6-4-14)18(20,21)22/h9-10,12,14H,3-8,11H2,1-2H3,(H,23,28)/t12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3				Bioorg Med Chem Lett 21: 1527-31 (2011) Article DOI: 10.1016/j.bmcl.2010.12.114 BindingDB Entry DOI: 10.7270/Q2CZ37FJ
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