Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 582.6 BDBM50200692

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))	BDBM50200692 (CHEMBL3981260) Show SMILES COc1cc(CN(Cc2ccc(cc2)-c2nnn[nH]2)C(C)c2ccc3OCCc3c2)ccc1OCCN1C(=O)CCC1=O Show InChI InChI=1S/C32H34N6O5/c1-21(25-8-10-27-26(18-25)13-15-42-27)37(19-22-3-6-24(7-4-22)32-33-35-36-34-32)20-23-5-9-28(29(17-23)41-2)43-16-14-38-30(39)11-12-31(38)40/h3-10,17-18,21H,11-16,19-20H2,1-2H3,(H,33,34,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	126	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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