Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 615.6 BDBM50300902

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))	BDBM50300902 ((R)-N-(1-(3-(4-cyanophenyl)-8-ethylimidazo[1,2-a]p...) Show SMILES CCc1nccn2c(c(nc12)[C@@H](C)N(CCS(=O)(=O)CC)C(=O)Cc1ccc(c(F)c1)C(F)(F)F)-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C30H29F4N5O3S/c1-4-25-29-37-27(28(39(29)13-12-36-25)22-9-6-20(18-35)7-10-22)19(3)38(14-15-43(41,42)5-2)26(40)17-21-8-11-23(24(31)16-21)30(32,33)34/h6-13,16,19H,4-5,14-15,17H2,1-3H3/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	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				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))	BDBM50300902 ((R)-N-(1-(3-(4-cyanophenyl)-8-ethylimidazo[1,2-a]p...) Show SMILES CCc1nccn2c(c(nc12)[C@@H](C)N(CCS(=O)(=O)CC)C(=O)Cc1ccc(c(F)c1)C(F)(F)F)-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C30H29F4N5O3S/c1-4-25-29-37-27(28(39(29)13-12-36-25)22-9-6-20(18-35)7-10-22)19(3)38(14-15-43(41,42)5-2)26(40)17-21-8-11-23(24(31)16-21)30(32,33)34/h6-13,16,19H,4-5,14-15,17H2,1-3H3/t19-/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 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))	BDBM50300902 ((R)-N-(1-(3-(4-cyanophenyl)-8-ethylimidazo[1,2-a]p...) Show SMILES CCc1nccn2c(c(nc12)[C@@H](C)N(CCS(=O)(=O)CC)C(=O)Cc1ccc(c(F)c1)C(F)(F)F)-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C30H29F4N5O3S/c1-4-25-29-37-27(28(39(29)13-12-36-25)22-9-6-20(18-35)7-10-22)19(3)38(14-15-43(41,42)5-2)26(40)17-21-8-11-23(24(31)16-21)30(32,33)34/h6-13,16,19H,4-5,14-15,17H2,1-3H3/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	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