Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 442.9 BDBM50337258

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))	BDBM50337258 ((S)-5-chloro-N-methyl-6-(3-methyl-4-(1-(pyridin-2-...) Show SMILES CNC(=O)c1cnc(N2CCN([C@@H](C)C2)C2CCN(Cc3ccccn3)CC2)c(Cl)c1 |r| Show InChI InChI=1S/C23H31ClN6O/c1-17-15-29(22-21(24)13-18(14-27-22)23(31)25-2)11-12-30(17)20-6-9-28(10-7-20)16-19-5-3-4-8-26-19/h3-5,8,13-14,17,20H,6-7,9-12,15-16H2,1-2H3,(H,25,31)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.99E+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
					More data for this Ligand-Target Pair