Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 542.5 BDBM50211142

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))	BDBM50211142 ((R)-N-(1-(4-oxo-3-phenyl-3,4-dihydroquinazolin-2-y...) Show SMILES C[C@@H](N(Cc1cccnc1)C(=O)Cc1ccc(cc1)C(F)(F)F)c1nc2ccccc2c(=O)n1-c1ccccc1 Show InChI InChI=1S/C31H25F3N4O2/c1-21(29-36-27-12-6-5-11-26(27)30(40)38(29)25-9-3-2-4-10-25)37(20-23-8-7-17-35-19-23)28(39)18-22-13-15-24(16-14-22)31(32,33)34/h2-17,19,21H,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	299	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 17: 3339-43 (2007) Article DOI: 10.1016/j.bmcl.2007.03.106 BindingDB Entry DOI: 10.7270/Q2VT1SXN
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