Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 545.4 BDBM50446650

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))	BDBM50446650 (CHEMBL3116477) Show SMILES CC[C@H]1CN(CCN1C1CCN(CC1)C(=O)c1ccc(Cl)cc1)c1nc(N)c(nc1Cl)-c1nnc(C)o1 |r| Show InChI InChI=1S/C25H30Cl2N8O2/c1-3-18-14-34(23-21(27)29-20(22(28)30-23)24-32-31-15(2)37-24)12-13-35(18)19-8-10-33(11-9-19)25(36)16-4-6-17(26)7-5-16/h4-7,18-19H,3,8-14H2,1-2H3,(H2,28,30)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20	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
					More data for this Ligand-Target Pair