Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 488.5 BDBM50412601

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))	BDBM50412601 (CHEMBL482370) Show SMILES CC(=O)NC1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCN(CC1)c1ccc(cn1)C(F)(F)F)C2(C)C |r,TLB:3:4:8.7:30| Show InChI InChI=1S/C22H31F3N4O3S/c1-15(30)27-18-12-16-6-7-21(18,20(16,2)3)14-33(31,32)29-10-8-28(9-11-29)19-5-4-17(13-26-19)22(23,24)25/h4-5,13,16,18H,6-12,14H2,1-3H3,(H,27,30)/t16-,18?,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	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