Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 390.9 BDBM50413569

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))	BDBM50413569 (CHEMBL470839) Show SMILES Fc1cc(Cl)ccc1CN1CCC(CC1)NCC1C2CC3CC(C2)CC1C3 |TLB:23:22:26:19.18.17,23:18:21.22.24:26,THB:16:17:21.22.24:26,17:18:21:24.25.26,17:25:21:19.23.18,(22.53,-11.55,;23.87,-10.79,;25.2,-11.56,;26.54,-10.79,;27.87,-11.56,;26.53,-9.24,;25.2,-8.48,;23.88,-9.25,;22.55,-8.48,;21.21,-9.25,;19.87,-8.47,;18.54,-9.25,;18.54,-10.8,;19.87,-11.57,;21.21,-10.8,;17.2,-11.56,;15.82,-10.88,;14.54,-11.73,;14.52,-13.26,;13.12,-13.6,;11.8,-13.11,;10.6,-14.38,;12.1,-13.97,;13.51,-14.53,;12.1,-12.38,;13.14,-11.15,;11.79,-11.62,)| Show InChI InChI=1S/C23H32ClFN2/c24-20-2-1-17(23(25)12-20)14-27-5-3-21(4-6-27)26-13-22-18-8-15-7-16(10-18)11-19(22)9-15/h1-2,12,15-16,18-19,21-22,26H,3-11,13-14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [125I]CXCL10 from human CXCR3 expressed in HEK293T cells				Bioorg Med Chem Lett 19: 2252-7 (2009) Article DOI: 10.1016/j.bmcl.2009.02.093 BindingDB Entry DOI: 10.7270/Q2DJ5GW6
					More data for this Ligand-Target Pair