Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 621.4 BDBM50337224

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))	BDBM50337224 (5-chloro-6-(4-(1-(4-chlorobenzyl)-4-methylpiperidi...) Show SMILES CC1(CCN(Cc2ccc(Cl)cc2)CC1)N1CCN(CC1)c1ncc(cc1Cl)C(=O)NCc1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C30H33Cl4N5O/c1-30(8-10-37(11-9-30)20-21-2-5-24(31)6-3-21)39-14-12-38(13-15-39)28-27(34)17-23(19-35-28)29(40)36-18-22-4-7-25(32)26(33)16-22/h2-7,16-17,19H,8-15,18,20H2,1H3,(H,36,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	27	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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