Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 594.6 BDBM50371498

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))	BDBM50371498 (CHEMBL401662) Show SMILES CCOc1ccc(cc1)-n1cc(nc1[C@@H](C)N(C[C@@H]1CCCN1)C(=O)Cc1ccc(F)c(c1)C(F)(F)F)-c1ccccc1 Show InChI InChI=1S/C33H34F4N4O2/c1-3-43-27-14-12-26(13-15-27)41-21-30(24-8-5-4-6-9-24)39-32(41)22(2)40(20-25-10-7-17-38-25)31(42)19-23-11-16-29(34)28(18-23)33(35,36)37/h4-6,8-9,11-16,18,21-22,25,38H,3,7,10,17,19-20H2,1-2H3/t22-,25+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	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))	BDBM50371498 (CHEMBL401662) Show SMILES CCOc1ccc(cc1)-n1cc(nc1[C@@H](C)N(C[C@@H]1CCCN1)C(=O)Cc1ccc(F)c(c1)C(F)(F)F)-c1ccccc1 Show InChI InChI=1S/C33H34F4N4O2/c1-3-43-27-14-12-26(13-15-27)41-21-30(24-8-5-4-6-9-24)39-32(41)22(2)40(20-25-10-7-17-38-25)31(42)19-23-11-16-29(34)28(18-23)33(35,36)37/h4-6,8-9,11-16,18,21-22,25,38H,3,7,10,17,19-20H2,1-2H3/t22-,25+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	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