Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 535.4 BDBM50446655

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))	BDBM50446655 (CHEMBL3116472) Show SMILES CC[C@H]1CN(CCN1C1CCN(Cc2ccc(Cl)cc2F)CC1)c1ncc(cc1Cl)-c1nc(=O)o[nH]1 |r| Show InChI InChI=1S/C25H29Cl2FN6O2/c1-2-19-15-33(24-21(27)11-17(13-29-24)23-30-25(35)36-31-23)9-10-34(19)20-5-7-32(8-6-20)14-16-3-4-18(26)12-22(16)28/h3-4,11-13,19-20H,2,5-10,14-15H2,1H3,(H,30,31,35)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	760	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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