Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 612.7 BDBM50200707

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))	BDBM50200707 (CHEMBL3900040) Show SMILES COc1cc(CN(Cc2ccc(cc2)C(O)=O)C(C2CCCC2)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CCC1=O Show InChI InChI=1S/C36H40N2O7/c1-43-32-20-25(8-12-31(32)45-19-17-38-33(39)14-15-34(38)40)23-37(22-24-6-9-27(10-7-24)36(41)42)35(26-4-2-3-5-26)29-11-13-30-28(21-29)16-18-44-30/h6-13,20-21,26,35H,2-5,14-19,22-23H2,1H3,(H,41,42)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Co. Ltd Curated by ChEMBL					Assay Description Displacement of [125I]-CXCL10 from human recombinant CXCR3 transfected in Flp-In-CHO cell membranes after 60 mins by gamma counting method				Bioorg Med Chem Lett 26: 5418-5428 (2016) Article DOI: 10.1016/j.bmcl.2016.10.035 BindingDB Entry DOI: 10.7270/Q28S4RW9
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