Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 543.6 BDBM50310495

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit 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))	BDBM50310495 ((R)-2-(4-cyanophenyl)-N-(1-(3-(4-ethoxyphenyl)-4-o...) Show SMILES CCOc1ccc(cc1)-n1c(nc2ccccc2c1=O)[C@@H](C)N(Cc1cccnc1)C(=O)Cc1ccc(cc1)C#N |r| Show InChI InChI=1S/C33H29N5O3/c1-3-41-28-16-14-27(15-17-28)38-32(36-30-9-5-4-8-29(30)33(38)40)23(2)37(22-26-7-6-18-35-21-26)31(39)19-24-10-12-25(20-34)13-11-24/h4-18,21,23H,3,19,22H2,1-2H3/t23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Displacement of [125I]-1P10 from human CXCR3 expressed in PBMC after 2 hrs in RPMI buffer by scintillation counting				Bioorg Med Chem Lett 19: 5114-8 (2009) Article DOI: 10.1016/j.bmcl.2009.07.032 BindingDB Entry DOI: 10.7270/Q2FX79KZ
					More data for this Ligand-Target Pair