Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 518.5 BDBM50337243

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))	BDBM50337243 ((S)-5-chloro-6-(4-(1-(4-chlorobenzyl)piperidin-4-y...) Show SMILES CNC(=O)c1cnc(N2CCN([C@@H](CC(C)C)C2)C2CCN(Cc3ccc(Cl)cc3)CC2)c(Cl)c1 |r| Show InChI InChI=1S/C27H37Cl2N5O/c1-19(2)14-24-18-33(26-25(29)15-21(16-31-26)27(35)30-3)12-13-34(24)23-8-10-32(11-9-23)17-20-4-6-22(28)7-5-20/h4-7,15-16,19,23-24H,8-14,17-18H2,1-3H3,(H,30,35)/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	260	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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