Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 616.1 BDBM50358623

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))	BDBM50358623 (CHEMBL1921872) Show SMILES CC[C@H]1CN(CCN1C1CCN(Cc2ccc(F)c(F)c2)CC1)c1nc(N)c(nc1Cl)C(=O)NCCNS(N)(=O)=O |r| Show InChI InChI=1S/C25H36ClF2N9O3S/c1-2-17-15-36(24-22(26)33-21(23(29)34-24)25(38)31-7-8-32-41(30,39)40)11-12-37(17)18-5-9-35(10-6-18)14-16-3-4-19(27)20(28)13-16/h3-4,13,17-18,32H,2,5-12,14-15H2,1H3,(H2,29,34)(H,31,38)(H2,30,39,40)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]CXCL10 from human CXCR3 expressed in mouse BA/F3 cells				Bioorg Med Chem Lett 21: 6982-6 (2011) Article DOI: 10.1016/j.bmcl.2011.09.120 BindingDB Entry DOI: 10.7270/Q2T72HVN
					More data for this Ligand-Target Pair