Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 376.9 BDBM50413579

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))	BDBM50413579 (CHEMBL470390) Show SMILES Fc1cc(Cl)ccc1CNC1CCN(CC1)C1C2CC3CC(C2)CC1C3 |TLB:22:21:25:18.17.16,22:17:20.21.23:25,THB:16:17:20:23.24.25,16:24:20:18.22.17,13:16:20.21.23:25,(1.61,-27.06,;1.57,-25.52,;2.88,-24.72,;2.84,-23.17,;4.16,-22.36,;1.48,-22.44,;.17,-23.25,;.22,-24.78,;-1.1,-25.58,;-2.45,-24.85,;-3.77,-25.65,;-3.73,-27.19,;-5.03,-28,;-6.39,-27.27,;-6.44,-25.73,;-5.12,-24.92,;-7.7,-28.08,;-7.68,-29.61,;-9.08,-29.98,;-10.41,-29.51,;-11.59,-30.81,;-10.1,-30.37,;-8.68,-30.9,;-10.13,-28.78,;-9.11,-27.53,;-10.45,-28.02,)| Show InChI InChI=1S/C22H30ClFN2/c23-19-2-1-16(21(24)12-19)13-25-20-3-5-26(6-4-20)22-17-8-14-7-15(10-17)11-18(22)9-14/h1-2,12,14-15,17-18,20,22,25H,3-11,13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.98E+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