Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 602.0 BDBM50301343

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))	BDBM50301343 (5-chloro-N-(2-phenoxyethyl)-6-(4-(1-(4-(trifluorom...) Show SMILES FC(F)(F)c1ccc(CN2CCC(CC2)N2CCN(CC2)c2ncc(cc2Cl)C(=O)NCCOc2ccccc2)cc1 Show InChI InChI=1S/C31H35ClF3N5O2/c32-28-20-24(30(41)36-12-19-42-27-4-2-1-3-5-27)21-37-29(28)40-17-15-39(16-18-40)26-10-13-38(14-11-26)22-23-6-8-25(9-7-23)31(33,34)35/h1-9,20-21,26H,10-19,22H2,(H,36,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of 125I-IP10 from recombinant human CXCR3 receptor expressed in Ba/F3 cell membrane after 1 to 4 hrs by scintillation counting				Bioorg Med Chem Lett 19: 5205-8 (2009) Article DOI: 10.1016/j.bmcl.2009.07.020 BindingDB Entry DOI: 10.7270/Q21V5F18
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