Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 313.7 BDBM50371838

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits 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))	BDBM50371838 (CHEMBL256226) Show SMILES Cc1cccc2n(CC(=O)c3ccc(Cl)cc3)c(=N)n(C)c12 Show InChI InChI=1S/C17H16ClN3O/c1-11-4-3-5-14-16(11)20(2)17(19)21(14)10-15(22)12-6-8-13(18)9-7-12/h3-9,19H,10H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Antagonist activity at human CXCR3 expressed in CHO cells by FLIPR-based calcium mobilization assay				Bioorg Med Chem Lett 18: 1573-6 (2008) Article DOI: 10.1016/j.bmcl.2008.01.074 BindingDB Entry DOI: 10.7270/Q2QZ2BTF
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50371838 (CHEMBL256226) Show SMILES Cc1cccc2n(CC(=O)c3ccc(Cl)cc3)c(=N)n(C)c12 Show InChI InChI=1S/C17H16ClN3O/c1-11-4-3-5-14-16(11)20(2)17(19)21(14)10-15(22)12-6-8-13(18)9-7-12/h3-9,19H,10H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Bioresearch Center Curated by ChEMBL					Assay Description Displacement of [125]CXCL10 from human CXCR3 expressed in CHO cells				Bioorg Med Chem Lett 18: 1573-6 (2008) Article DOI: 10.1016/j.bmcl.2008.01.074 BindingDB Entry DOI: 10.7270/Q2QZ2BTF
					More data for this Ligand-Target Pair