Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 513.0 BDBM50200714

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))	BDBM50200714 (CHEMBL3911113) Show SMILES C[C@H](N(CC1CCCC1)Cc1ccc(OCCN2C(=O)CCC2=O)c(c1)C(O)=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C28H33ClN2O5/c1-19(22-7-9-23(29)10-8-22)30(17-20-4-2-3-5-20)18-21-6-11-25(24(16-21)28(34)35)36-15-14-31-26(32)12-13-27(31)33/h6-11,16,19-20H,2-5,12-15,17-18H2,1H3,(H,34,35)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60E+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: 5429-5437 (2016) Article DOI: 10.1016/j.bmcl.2016.10.038 BindingDB Entry DOI: 10.7270/Q2514164
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