Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 485.0 BDBM50358640

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))	BDBM50358640 (CHEMBL1921889) Show SMILES CC[C@H]1CN(CCN1C1CCN(CC1)C(=O)c1ccc(Cl)cc1)c1ncc(nc1C)C(=O)NC |r| Show InChI InChI=1S/C25H33ClN6O2/c1-4-20-16-31(23-17(2)29-22(15-28-23)24(33)27-3)13-14-32(20)21-9-11-30(12-10-21)25(34)18-5-7-19(26)8-6-18/h5-8,15,20-21H,4,9-14,16H2,1-3H3,(H,27,33)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.60	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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