Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 492.4 BDBM50337246

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))	BDBM50337246 (5-chloro-6-(4-(1-(4-chlorobenzyl)piperidin-4-yl)-3...) Show SMILES CNC(=O)c1cnc(N2CCN(C(CO)C2)C2CCN(Cc3ccc(Cl)cc3)CC2)c(Cl)c1 Show InChI InChI=1S/C24H31Cl2N5O2/c1-27-24(33)18-12-22(26)23(28-13-18)30-10-11-31(21(15-30)16-32)20-6-8-29(9-7-20)14-17-2-4-19(25)5-3-17/h2-5,12-13,20-21,32H,6-11,14-16H2,1H3,(H,27,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	910	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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