Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 521.5 BDBM50412591

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))	BDBM50412591 (CHEMBL479814) Show SMILES CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCN(C(C1)c1ccccc1)c1ccc(cn1)C(F)(F)F)C(=O)C2 |r,THB:34:33:5.4:1| Show InChI InChI=1S/C26H30F3N3O3S/c1-24(2)19-10-11-25(24,22(33)14-19)17-36(34,35)31-12-13-32(21(16-31)18-6-4-3-5-7-18)23-9-8-20(15-30-23)26(27,28)29/h3-9,15,19,21H,10-14,16-17H2,1-2H3/t19-,21?,25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.16E+4	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