Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 587.5 BDBM50446648

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))	BDBM50446648 (CHEMBL3116479) Show SMILES CC[C@H]1CN(CCN1C1CCN(CC1)C(=O)c1ccc(Cl)nc1N)c1nc(N)c(nc1Cl)-c1nnc(o1)C1CC1 |r| Show InChI InChI=1S/C26H32Cl2N10O2/c1-2-15-13-37(23-20(28)32-19(22(30)33-23)25-35-34-24(40-25)14-3-4-14)11-12-38(15)16-7-9-36(10-8-16)26(39)17-5-6-18(27)31-21(17)29/h5-6,14-16H,2-4,7-13H2,1H3,(H2,29,31)(H2,30,33)/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	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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