Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 517.6 BDBM50412553

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))	BDBM50412553 (CHEMBL479824) Show SMILES CCNC(=O)NC1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C2(C)C |r,TLB:5:6:10.9:32| Show InChI InChI=1S/C23H34F3N5O3S/c1-4-27-20(32)29-18-13-16-7-8-22(18,21(16,2)3)15-35(33,34)31-11-9-30(10-12-31)19-6-5-17(14-28-19)23(24,25)26/h5-6,14,16,18H,4,7-13,15H2,1-3H3,(H2,27,29,32)/t16-,18?,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	794	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Antagonist activity at human recombinant CXCR3 receptor expressed in CHO-K1 cells assessed as human IP10-induced calcium flux by FLIPR assay				Bioorg Med Chem Lett 19: 114-8 (2008) Article DOI: 10.1016/j.bmcl.2008.11.008 BindingDB Entry DOI: 10.7270/Q29Z94R0
					More data for this Ligand-Target Pair