Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 476.4 BDBM50337233

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))	BDBM50337233 ((S)-N-(5-chloro-6-(4-(1-(4-chlorobenzyl)piperidin-...) Show SMILES C[C@H]1CN(CCN1C1CCN(Cc2ccc(Cl)cc2)CC1)c1ncc(NC(C)=O)cc1Cl |r| Show InChI InChI=1S/C24H31Cl2N5O/c1-17-15-30(24-23(26)13-21(14-27-24)28-18(2)32)11-12-31(17)22-7-9-29(10-8-22)16-19-3-5-20(25)6-4-19/h3-6,13-14,17,22H,7-12,15-16H2,1-2H3,(H,28,32)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	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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