Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 581.0 BDBM50358635

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))	BDBM50358635 (CHEMBL1921884) Show SMILES CC[C@H]1CN(CCN1C1CCN(CC1)C(=O)c1ccc(Cl)nc1N)c1ncc(nc1C(F)(F)F)C(=O)NC1CC1 |r| Show InChI InChI=1S/C26H32ClF3N8O2/c1-2-16-14-37(23-21(26(28,29)30)34-19(13-32-23)24(39)33-15-3-4-15)11-12-38(16)17-7-9-36(10-8-17)25(40)18-5-6-20(27)35-22(18)31/h5-6,13,15-17H,2-4,7-12,14H2,1H3,(H2,31,35)(H,33,39)/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.80	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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