Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 566.4 BDBM50358626

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))	BDBM50358626 (CHEMBL1921875) Show SMILES CC[C@H]1CN(CCN1C1CCN(CC1)C(=O)c1ccc(Cl)nc1N)c1nc(N)c(nc1Cl)C(=O)NCCO |r| Show InChI InChI=1S/C24H33Cl2N9O3/c1-2-14-13-34(22-19(26)31-18(21(28)32-22)23(37)29-7-12-36)10-11-35(14)15-5-8-33(9-6-15)24(38)16-3-4-17(25)30-20(16)27/h3-4,14-15,36H,2,5-13H2,1H3,(H2,27,30)(H2,28,32)(H,29,37)/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]CXCL10 from human CXCR3 expressed in mouse BA/F3 cells				Bioorg Med Chem Lett 21: 6982-6 (2011) Article DOI: 10.1016/j.bmcl.2011.09.120 BindingDB Entry DOI: 10.7270/Q2T72HVN
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