Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 540.9 BDBM50358633

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))	BDBM50358633 (CHEMBL1921882) Show SMILES CC[C@H]1CN(CCN1C1CCN(CC1)C(=O)c1ccc(Cl)nc1N)c1ncc(nc1C(F)(F)F)C(N)=O |r| Show InChI InChI=1S/C23H28ClF3N8O2/c1-2-13-12-34(21-18(23(25,26)27)31-16(11-30-21)20(29)36)9-10-35(13)14-5-7-33(8-6-14)22(37)15-3-4-17(24)32-19(15)28/h3-4,11,13-14H,2,5-10,12H2,1H3,(H2,28,32)(H2,29,36)/t13-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.90	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
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