Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 609.4 BDBM50301333

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))	BDBM50301333 (5-chloro-6-((2-((1-(4-chlorobenzyl)piperidin-4-yl)...) Show SMILES CN(CCN(C)c1ncc(cc1Cl)C(=O)NCc1ccc(Cl)c(Cl)c1)C1CCN(Cc2ccc(Cl)cc2)CC1 Show InChI InChI=1S/C29H33Cl4N5O/c1-36(24-9-11-38(12-10-24)19-20-3-6-23(30)7-4-20)13-14-37(2)28-27(33)16-22(18-34-28)29(39)35-17-21-5-8-25(31)26(32)15-21/h3-8,15-16,18,24H,9-14,17,19H2,1-2H3,(H,35,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30E+4	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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