Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 635.6 BDBM50300898

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))	BDBM50300898 (CHEMBL570858 | N-{(R)-1-[3-(4-Cyano-phenyl)-8-cycl...) Show SMILES C[C@@H](N(CC1CCS(=O)(=O)CC1)C(=O)Cc1ccc(cc1)C(F)(F)F)c1nc2c(nccn2c1-c1ccc(cc1)C#N)C1CC1 |r| Show InChI InChI=1S/C33H32F3N5O3S/c1-21(29-31(26-6-2-23(19-37)3-7-26)40-15-14-38-30(25-8-9-25)32(40)39-29)41(20-24-12-16-45(43,44)17-13-24)28(42)18-22-4-10-27(11-5-22)33(34,35)36/h2-7,10-11,14-15,21,24-25H,8-9,12-13,16-18,20H2,1H3/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	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))	BDBM50300898 (CHEMBL570858 | N-{(R)-1-[3-(4-Cyano-phenyl)-8-cycl...) Show SMILES C[C@@H](N(CC1CCS(=O)(=O)CC1)C(=O)Cc1ccc(cc1)C(F)(F)F)c1nc2c(nccn2c1-c1ccc(cc1)C#N)C1CC1 |r| Show InChI InChI=1S/C33H32F3N5O3S/c1-21(29-31(26-6-2-23(19-37)3-7-26)40-15-14-38-30(25-8-9-25)32(40)39-29)41(20-24-12-16-45(43,44)17-13-24)28(42)18-22-4-10-27(11-5-22)33(34,35)36/h2-7,10-11,14-15,21,24-25H,8-9,12-13,16-18,20H2,1H3/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	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))	BDBM50300898 (CHEMBL570858 | N-{(R)-1-[3-(4-Cyano-phenyl)-8-cycl...) Show SMILES C[C@@H](N(CC1CCS(=O)(=O)CC1)C(=O)Cc1ccc(cc1)C(F)(F)F)c1nc2c(nccn2c1-c1ccc(cc1)C#N)C1CC1 |r| Show InChI InChI=1S/C33H32F3N5O3S/c1-21(29-31(26-6-2-23(19-37)3-7-26)40-15-14-38-30(25-8-9-25)32(40)39-29)41(20-24-12-16-45(43,44)17-13-24)28(42)18-22-4-10-27(11-5-22)33(34,35)36/h2-7,10-11,14-15,21,24-25H,8-9,12-13,16-18,20H2,1H3/t21-/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