Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 502.4 BDBM50337234

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))	BDBM50337234 ((S)-N-(5-chloro-6-(4-(1-(4-chlorobenzyl)piperidin-...) Show SMILES C[C@H]1CN(CCN1C1CCN(Cc2ccc(Cl)cc2)CC1)c1ncc(NC(=O)C2CC2)cc1Cl |r| Show InChI InChI=1S/C26H33Cl2N5O/c1-18-16-32(25-24(28)14-22(15-29-25)30-26(34)20-4-5-20)12-13-33(18)23-8-10-31(11-9-23)17-19-2-6-21(27)7-3-19/h2-3,6-7,14-15,18,20,23H,4-5,8-13,16-17H2,1H3,(H,30,34)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	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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