Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 604.5 BDBM50211147

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))	BDBM50211147 ((R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydropter...) Show SMILES CCOc1ccc(cc1)-n1c(nc2nccnc2c1=O)[C@@H](C)N(Cc1cccnc1)C(=O)Cc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C31H27F3N6O4/c1-3-43-24-12-8-23(9-13-24)40-29(38-28-27(30(40)42)36-15-16-37-28)20(2)39(19-22-5-4-14-35-18-22)26(41)17-21-6-10-25(11-7-21)44-31(32,33)34/h4-16,18,20H,3,17,19H2,1-2H3/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Displacement of [125I ]IP10 from CXCR3 receptor expressed in PBMC				Bioorg Med Chem Lett 17: 3339-43 (2007) Article DOI: 10.1016/j.bmcl.2007.03.106 BindingDB Entry DOI: 10.7270/Q2VT1SXN
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