Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 564.6 BDBM50200676

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))	BDBM50200676 (CHEMBL3962863) Show SMILES COc1cc(CN(CCCC(O)=O)C(C2CCCC2)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CCC1=O Show InChI InChI=1S/C32H40N2O7/c1-39-28-19-22(8-10-27(28)41-18-16-34-29(35)12-13-30(34)36)21-33(15-4-7-31(37)38)32(23-5-2-3-6-23)25-9-11-26-24(20-25)14-17-40-26/h8-11,19-20,23,32H,2-7,12-18,21H2,1H3,(H,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	382	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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