Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 577.4 BDBM50446647

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))	BDBM50446647 (CHEMBL3116480) Show SMILES CC[C@H]1CN(CCN1C1CCN(CC1)C(=O)c1ccc(Cl)nc1N)c1nc(N)c(nc1Cl)-c1nnc(CO)o1 |r| Show InChI InChI=1S/C24H30Cl2N10O3/c1-2-13-11-35(22-19(26)30-18(21(28)31-22)23-33-32-17(12-37)39-23)9-10-36(13)14-5-7-34(8-6-14)24(38)15-3-4-16(25)29-20(15)27/h3-4,13-14,37H,2,5-12H2,1H3,(H2,27,29)(H2,28,31)/t13-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	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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