Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 577.1 BDBM50301345

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))	BDBM50301345 (5-chloro-6-(4-(1-(4-(dimethylamino)benzyl)piperidi...) Show SMILES CN(C)c1ccc(CN2CCC(CC2)N2CCN(CC2)c2ncc(cc2Cl)C(=O)NCCOc2ccccc2)cc1 Show InChI InChI=1S/C32H41ClN6O2/c1-36(2)27-10-8-25(9-11-27)24-37-15-12-28(13-16-37)38-17-19-39(20-18-38)31-30(33)22-26(23-35-31)32(40)34-14-21-41-29-6-4-3-5-7-29/h3-11,22-23,28H,12-21,24H2,1-2H3,(H,34,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90E+3	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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