Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 625.0 BDBM50361990

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

Found 3 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))	BDBM50361990 (CHEMBL1939557) Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2ncccc2c(=O)n1-c1ccc(Cl)cc1)C(=O)Cc1ccc(F)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C28H25ClF4N4O4S/c1-3-42(40,41)14-13-36(24(38)16-18-6-11-23(30)22(15-18)28(31,32)33)17(2)26-35-25-21(5-4-12-34-25)27(39)37(26)20-9-7-19(29)8-10-20/h4-12,15,17H,3,13-14,16H2,1-2H3/t17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-IP-10 from CXCR3				Bioorg Med Chem Lett 22: 357-62 (2011) Article DOI: 10.1016/j.bmcl.2011.10.120 BindingDB Entry DOI: 10.7270/Q2S75GS5
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50361990 (CHEMBL1939557) Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2ncccc2c(=O)n1-c1ccc(Cl)cc1)C(=O)Cc1ccc(F)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C28H25ClF4N4O4S/c1-3-42(40,41)14-13-36(24(38)16-18-6-11-23(30)22(15-18)28(31,32)33)17(2)26-35-25-21(5-4-12-34-25)27(39)37(26)20-9-7-19(29)8-10-20/h4-12,15,17H,3,13-14,16H2,1-2H3/t17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-IP-10 from CXCR3 in presence of 100% human serum				Bioorg Med Chem Lett 22: 357-62 (2011) Article DOI: 10.1016/j.bmcl.2011.10.120 BindingDB Entry DOI: 10.7270/Q2S75GS5
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50361990 (CHEMBL1939557) Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2ncccc2c(=O)n1-c1ccc(Cl)cc1)C(=O)Cc1ccc(F)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C28H25ClF4N4O4S/c1-3-42(40,41)14-13-36(24(38)16-18-6-11-23(30)22(15-18)28(31,32)33)17(2)26-35-25-21(5-4-12-34-25)27(39)37(26)20-9-7-19(29)8-10-20/h4-12,15,17H,3,13-14,16H2,1-2H3/t17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	102	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Antagonist activity at CXCR3 assessed as inhibition of ITAC-mediated cell migration in presence of 100% human serum				Bioorg Med Chem Lett 22: 357-62 (2011) Article DOI: 10.1016/j.bmcl.2011.10.120 BindingDB Entry DOI: 10.7270/Q2S75GS5
					More data for this Ligand-Target Pair