Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 681.7 BDBM50371513

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))	BDBM50371513 (CHEMBL402375) Show SMILES CCOc1ccc(cc1)-n1cc(nc1[C@@H](C)N(CCS(=O)(=O)CC)C(=O)Cn1nnc(n1)-c1ccc(cc1)C(F)(F)F)-c1ccccc1 Show InChI InChI=1S/C33H34F3N7O4S/c1-4-47-28-17-15-27(16-18-28)42-21-29(24-9-7-6-8-10-24)37-32(42)23(3)41(19-20-48(45,46)5-2)30(44)22-43-39-31(38-40-43)25-11-13-26(14-12-25)33(34,35)36/h6-18,21,23H,4-5,19-20,22H2,1-3H3/t23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Displacement of [125I]IP10 from human recombinant CXCR3 receptor expressed in IL2-activated human PBMC				Bioorg Med Chem Lett 18: 608-13 (2008) Article DOI: 10.1016/j.bmcl.2007.11.072 BindingDB Entry DOI: 10.7270/Q2668F1D
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50371513 (CHEMBL402375) Show SMILES CCOc1ccc(cc1)-n1cc(nc1[C@@H](C)N(CCS(=O)(=O)CC)C(=O)Cn1nnc(n1)-c1ccc(cc1)C(F)(F)F)-c1ccccc1 Show InChI InChI=1S/C33H34F3N7O4S/c1-4-47-28-17-15-27(16-18-28)42-21-29(24-9-7-6-8-10-24)37-32(42)23(3)41(19-20-48(45,46)5-2)30(44)22-43-39-31(38-40-43)25-11-13-26(14-12-25)33(34,35)36/h6-18,21,23H,4-5,19-20,22H2,1-3H3/t23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Displacement of [125I]IP10 from human recombinant CXCR3 receptor expressed in IL2-activated human PBMC in presence of plasma				Bioorg Med Chem Lett 18: 608-13 (2008) Article DOI: 10.1016/j.bmcl.2007.11.072 BindingDB Entry DOI: 10.7270/Q2668F1D
					More data for this Ligand-Target Pair