Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 404.9 BDBM50413572

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))	BDBM50413572 (CHEMBL470430) Show SMILES CN(CC1C2CC3CC(C2)CC1C3)C1CCN(Cc2ccc(Cl)cc2F)CC1 |TLB:9:8:12:5.4.3,9:4:7.8.10:12,THB:2:3:7.8.10:12,3:4:7:10.11.12,3:11:7:5.9.4,(-2.92,-37.52,;-2.97,-35.98,;-4.34,-35.3,;-5.63,-36.15,;-5.64,-37.67,;-7.04,-38.02,;-8.36,-37.53,;-9.56,-38.8,;-8.06,-38.38,;-6.66,-38.95,;-8.07,-36.8,;-7.03,-35.57,;-8.37,-36.04,;-1.63,-35.21,;-1.63,-33.67,;-.3,-32.89,;1.05,-33.67,;2.38,-32.9,;3.71,-33.67,;5.03,-32.9,;6.37,-33.66,;6.37,-35.21,;7.7,-35.98,;5.03,-35.98,;3.7,-35.21,;2.37,-35.97,;1.05,-35.21,;-.3,-35.98,)| Show InChI InChI=1S/C24H34ClFN2/c1-27(15-23-19-9-16-8-17(11-19)12-20(23)10-16)22-4-6-28(7-5-22)14-18-2-3-21(25)13-24(18)26/h2-3,13,16-17,19-20,22-23H,4-12,14-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.51E+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