Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 462.4 BDBM50337235

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))	BDBM50337235 ((S)-5-chloro-6-(4-(1-(4-chlorobenzyl)piperidin-4-y...) Show SMILES C[C@H]1CN(CCN1C1CCN(Cc2ccc(Cl)cc2)CC1)c1ncc(cc1Cl)C(N)=O |r| Show InChI InChI=1S/C23H29Cl2N5O/c1-16-14-29(23-21(25)12-18(13-27-23)22(26)31)10-11-30(16)20-6-8-28(9-7-20)15-17-2-4-19(24)5-3-17/h2-5,12-13,16,20H,6-11,14-15H2,1H3,(H2,26,31)/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	39	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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