Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 525.0 BDBM50358608

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))	BDBM50358608 (CHEMBL1921896) Show SMILES CC[C@H]1CN([C@H](C)CN1C1CCN(CC1)C(=O)c1ccc(Cl)cc1)c1ncc(nc1C)C(=O)NC1CC1 |r| Show InChI InChI=1S/C28H37ClN6O2/c1-4-23-17-34(26-19(3)31-25(15-30-26)27(36)32-22-9-10-22)18(2)16-35(23)24-11-13-33(14-12-24)28(37)20-5-7-21(29)8-6-20/h5-8,15,18,22-24H,4,9-14,16-17H2,1-3H3,(H,32,36)/t18-,23+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30	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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