Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 641.6 BDBM50361982

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))	BDBM50361982 (CHEMBL1939554) Show SMILES C[C@@H](N(CC1CCS(=O)(=O)CC1)C(=O)Cc1ccc(c(F)c1)C(F)(F)F)c1nc2ncccc2c(=O)n1-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C31H27F4N5O4S/c1-19(29-38-28-24(3-2-12-37-28)30(42)40(29)23-7-4-20(17-36)5-8-23)39(18-21-10-13-45(43,44)14-11-21)27(41)16-22-6-9-25(26(32)15-22)31(33,34)35/h2-9,12,15,19,21H,10-11,13-14,16,18H2,1H3/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	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))	BDBM50361982 (CHEMBL1939554) Show SMILES C[C@@H](N(CC1CCS(=O)(=O)CC1)C(=O)Cc1ccc(c(F)c1)C(F)(F)F)c1nc2ncccc2c(=O)n1-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C31H27F4N5O4S/c1-19(29-38-28-24(3-2-12-37-28)30(42)40(29)23-7-4-20(17-36)5-8-23)39(18-21-10-13-45(43,44)14-11-21)27(41)16-22-6-9-25(26(32)15-22)31(33,34)35/h2-9,12,15,19,21H,10-11,13-14,16,18H2,1H3/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	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))	BDBM50361982 (CHEMBL1939554) Show SMILES C[C@@H](N(CC1CCS(=O)(=O)CC1)C(=O)Cc1ccc(c(F)c1)C(F)(F)F)c1nc2ncccc2c(=O)n1-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C31H27F4N5O4S/c1-19(29-38-28-24(3-2-12-37-28)30(42)40(29)23-7-4-20(17-36)5-8-23)39(18-21-10-13-45(43,44)14-11-21)27(41)16-22-6-9-25(26(32)15-22)31(33,34)35/h2-9,12,15,19,21H,10-11,13-14,16,18H2,1H3/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	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