Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 590.5 BDBM50446641

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))	BDBM50446641 (CHEMBL3116486) Show SMILES CCNc1nnc(o1)-c1nc(Cl)c(nc1N)N1CCN([C@@H](CC)C1)C1CCN(CC1)C(=O)c1ccc(Cl)nc1N |r| Show InChI InChI=1S/C25H33Cl2N11O2/c1-3-14-13-37(22-19(27)32-18(21(29)33-22)23-34-35-25(40-23)30-4-2)11-12-38(14)15-7-9-36(10-8-15)24(39)16-5-6-17(26)31-20(16)28/h5-6,14-15H,3-4,7-13H2,1-2H3,(H2,28,31)(H2,29,33)(H,30,35)/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human CXCR3 receptor				Bioorg Med Chem Lett 24: 1085-8 (2014) Article DOI: 10.1016/j.bmcl.2014.01.009 BindingDB Entry DOI: 10.7270/Q2BZ67JQ
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