Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 652.7 BDBM50371502

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))	BDBM50371502 (CHEMBL401888) Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc(C2CC2)c(-c2ccccc2)n1-c1ccc(cc1)C#N)C(=O)Cc1ccc(F)c(c1)C(F)(F)F Show InChI InChI=1S/C34H32F4N4O3S/c1-3-46(44,45)18-17-41(30(43)20-24-11-16-29(35)28(19-24)34(36,37)38)22(2)33-40-31(25-12-13-25)32(26-7-5-4-6-8-26)42(33)27-14-9-23(21-39)10-15-27/h4-11,14-16,19,22,25H,3,12-13,17-18,20H2,1-2H3/t22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	752	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))	BDBM50371502 (CHEMBL401888) Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc(C2CC2)c(-c2ccccc2)n1-c1ccc(cc1)C#N)C(=O)Cc1ccc(F)c(c1)C(F)(F)F Show InChI InChI=1S/C34H32F4N4O3S/c1-3-46(44,45)18-17-41(30(43)20-24-11-16-29(35)28(19-24)34(36,37)38)22(2)33-40-31(25-12-13-25)32(26-7-5-4-6-8-26)42(33)27-14-9-23(21-39)10-15-27/h4-11,14-16,19,22,25H,3,12-13,17-18,20H2,1-2H3/t22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	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