Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 487.9 BDBM50337215

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))	BDBM50337215 ((S)-5-chloro-6-(4-(1-(2-(4-fluorophenyl)-2-oxoethy...) Show SMILES CNC(=O)c1cnc(N2CCN([C@@H](C)C2)C2CCN(CC(=O)c3ccc(F)cc3)CC2)c(Cl)c1 |r| Show InChI InChI=1S/C25H31ClFN5O2/c1-17-15-31(24-22(26)13-19(14-29-24)25(34)28-2)11-12-32(17)21-7-9-30(10-8-21)16-23(33)18-3-5-20(27)6-4-18/h3-6,13-14,17,21H,7-12,15-16H2,1-2H3,(H,28,34)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	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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