Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 640.5 BDBM50446645

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))	BDBM50446645 (CHEMBL3116482) Show SMILES CC[C@H]1CN(CCN1C1CCN(CC1)C(=O)c1ccc(Cl)nc1N)c1nc(N)c(nc1Cl)-c1nnc(NS(C)(=O)=O)o1 |r| Show InChI InChI=1S/C24H31Cl2N11O4S/c1-3-13-12-36(21-18(26)30-17(20(28)31-21)22-32-33-24(41-22)34-42(2,39)40)10-11-37(13)14-6-8-35(9-7-14)23(38)15-4-5-16(25)29-19(15)27/h4-5,13-14H,3,6-12H2,1-2H3,(H2,27,29)(H2,28,31)(H,33,34)/t13-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	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