Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 622.6 BDBM50310489

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))	BDBM50310489 ((R)-N-(1-(3-(4-ethoxyphenyl)-4-oxo-3,4-dihydroquin...) Show SMILES CCOc1ccc(cc1)-n1c(nc2ccccc2c1=O)[C@@H](C)N(Cc1cccnc1)C(=O)CN1CCN(CCC(F)(F)F)CC1 |r| Show InChI InChI=1S/C33H37F3N6O3/c1-3-45-27-12-10-26(11-13-27)42-31(38-29-9-5-4-8-28(29)32(42)44)24(2)41(22-25-7-6-15-37-21-25)30(43)23-40-19-17-39(18-20-40)16-14-33(34,35)36/h4-13,15,21,24H,3,14,16-20,22-23H2,1-2H3/t24-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	690	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
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