Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 593.4 BDBM50301354

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))	BDBM50301354 (1-(5-chloro-6-(4-(1-(4-chlorobenzyl)piperidin-4-yl...) Show SMILES Clc1ccc(CN2CCC(CC2)N2CCN(CC2)c2ncc(CNCc3ccc(Cl)c(Cl)c3)cc2Cl)cc1 Show InChI InChI=1S/C29H33Cl4N5/c30-24-4-1-21(2-5-24)20-36-9-7-25(8-10-36)37-11-13-38(14-12-37)29-28(33)16-23(19-35-29)18-34-17-22-3-6-26(31)27(32)15-22/h1-6,15-16,19,25,34H,7-14,17-18,20H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	870	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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