Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 506.4 BDBM50337247

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))	BDBM50337247 (5-chloro-6-(4-(1-(4-chlorobenzyl)piperidin-4-yl)-3...) Show SMILES CNC(=O)c1cnc(N2CCN(C(COC)C2)C2CCN(Cc3ccc(Cl)cc3)CC2)c(Cl)c1 Show InChI InChI=1S/C25H33Cl2N5O2/c1-28-25(33)19-13-23(27)24(29-14-19)31-11-12-32(22(16-31)17-34-2)21-7-9-30(10-8-21)15-18-3-5-20(26)6-4-18/h3-6,13-14,21-22H,7-12,15-17H2,1-2H3,(H,28,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3				Bioorg Med Chem Lett 21: 1527-31 (2011) Article DOI: 10.1016/j.bmcl.2010.12.114 BindingDB Entry DOI: 10.7270/Q2CZ37FJ
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