Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 645.6 BDBM50300911

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))	BDBM50300911 ((R)-N-(1-(3-(4-cyanophenyl)-7-methoxy-4-oxo-3,4-di...) Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2nc(OC)ccc2c(=O)n1-c1ccc(cc1)C#N)C(=O)Cc1ccc(F)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C30H27F4N5O5S/c1-4-45(42,43)14-13-38(26(40)16-20-7-11-24(31)23(15-20)30(32,33)34)18(2)28-37-27-22(10-12-25(36-27)44-3)29(41)39(28)21-8-5-19(17-35)6-9-21/h5-12,15,18H,4,13-14,16H2,1-3H3/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	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 CXCR3 receptor expressed in PBMC				Bioorg Med Chem Lett 19: 5200-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.021 BindingDB Entry DOI: 10.7270/Q2W95980
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50300911 ((R)-N-(1-(3-(4-cyanophenyl)-7-methoxy-4-oxo-3,4-di...) Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2nc(OC)ccc2c(=O)n1-c1ccc(cc1)C#N)C(=O)Cc1ccc(F)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C30H27F4N5O5S/c1-4-45(42,43)14-13-38(26(40)16-20-7-11-24(31)23(15-20)30(32,33)34)18(2)28-37-27-22(10-12-25(36-27)44-3)29(41)39(28)21-8-5-19(17-35)6-9-21/h5-12,15,18H,4,13-14,16H2,1-3H3/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	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 CXCR3 receptor expressed in PBMC in presence of human plasma				Bioorg Med Chem Lett 19: 5200-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.021 BindingDB Entry DOI: 10.7270/Q2W95980
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 3 (Homo sapiens (Human))	BDBM50300911 ((R)-N-(1-(3-(4-cyanophenyl)-7-methoxy-4-oxo-3,4-di...) Show SMILES CCS(=O)(=O)CCN([C@H](C)c1nc2nc(OC)ccc2c(=O)n1-c1ccc(cc1)C#N)C(=O)Cc1ccc(F)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C30H27F4N5O5S/c1-4-45(42,43)14-13-38(26(40)16-20-7-11-24(31)23(15-20)30(32,33)34)18(2)28-37-27-22(10-12-25(36-27)44-3)29(41)39(28)21-8-5-19(17-35)6-9-21/h5-12,15,18H,4,13-14,16H2,1-3H3/t18-/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 Antagonistic activity to CXCR3 receptor expressed in PBMC assessed as inhibition of ITAC-mediated cell migration in presence of 100% human plasma				Bioorg Med Chem Lett 19: 5200-4 (2009) Article DOI: 10.1016/j.bmcl.2009.07.021 BindingDB Entry DOI: 10.7270/Q2W95980
					More data for this Ligand-Target Pair