Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 446.9 BDBM50413577

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))	BDBM50413577 (CHEMBL470230) Show SMILES CCOC(=O)C1=C(CCN(Cc2ccc(Cl)cc2F)C1)NC1C2CC3CC(C2)CC1C3 |t:5,TLB:27:26:30:23.22.21,27:22:25.26.28:30,THB:21:22:25:28.29.30,21:29:25:23.27.22,20:21:25.26.28:30,(14.87,-6.27,;16.23,-7,;16.28,-8.53,;17.64,-9.26,;18.95,-8.45,;17.69,-10.8,;16.38,-11.62,;16.42,-13.16,;17.77,-13.88,;19.09,-13.08,;20.44,-13.81,;20.48,-15.35,;21.83,-16.08,;21.88,-17.61,;20.56,-18.42,;20.6,-19.96,;19.2,-17.69,;19.16,-16.15,;17.81,-15.41,;19.04,-11.54,;15.03,-10.89,;13.72,-11.7,;13.73,-13.23,;12.34,-13.6,;11.01,-13.13,;9.83,-14.43,;11.32,-13.98,;12.74,-14.52,;11.29,-12.4,;12.31,-11.15,;10.97,-11.64,)| Show InChI InChI=1S/C25H32ClFN2O2/c1-2-31-25(30)21-14-29(13-17-3-4-20(26)12-22(17)27)6-5-23(21)28-24-18-8-15-7-16(10-18)11-19(24)9-15/h3-4,12,15-16,18-19,24,28H,2,5-11,13-14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	5.01E+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