Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 390.9 BDBM50413576

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))	BDBM50413576 (CHEMBL513382) Show SMILES Fc1cc(Cl)ccc1CN1CCC(CNC2C3CC4CC(C3)CC2C4)CC1 |TLB:21:20:24:17.16.15,21:16:19.20.22:24,THB:15:16:19:22.23.24,15:23:19:17.21.16,14:15:19.20.22:24,(1.3,-11.84,;2.63,-11.06,;3.97,-11.82,;5.3,-11.03,;6.64,-11.79,;5.28,-9.48,;3.94,-8.73,;2.62,-9.52,;1.28,-8.77,;-.05,-9.55,;-.04,-11.09,;-1.36,-11.87,;-2.7,-11.12,;-4.02,-11.91,;-5.37,-11.16,;-6.69,-11.95,;-6.7,-13.47,;-8.1,-13.82,;-9.43,-13.33,;-10.63,-14.61,;-9.13,-14.19,;-7.72,-14.75,;-9.13,-12.6,;-8.09,-11.37,;-9.44,-11.84,;-2.73,-9.58,;-1.4,-8.79,)| Show InChI InChI=1S/C23H32ClFN2/c24-21-2-1-18(22(25)12-21)14-27-5-3-15(4-6-27)13-26-23-19-8-16-7-17(10-19)11-20(23)9-16/h1-2,12,15-17,19-20,23,26H,3-11,13-14H2	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