Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 490.4 BDBM50337226

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))	BDBM50337226 (5-chloro-6-((3S)-4-(1-(4-chlorobenzyl)-2-oxopiperi...) Show SMILES CNC(=O)c1cnc(N2CCN([C@@H](C)C2)C2CCN(Cc3ccc(Cl)cc3)C(=O)C2)c(Cl)c1 |r| Show InChI InChI=1S/C24H29Cl2N5O2/c1-16-14-30(23-21(26)11-18(13-28-23)24(33)27-2)9-10-31(16)20-7-8-29(22(32)12-20)15-17-3-5-19(25)6-4-17/h3-6,11,13,16,20H,7-10,12,14-15H2,1-2H3,(H,27,33)/t16-,20?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+3	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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