Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 543.5 BDBM389710

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))	BDBM389710 (US9951063, 29) Show SMILES CCOc1ncc(cn1)N1CCc2c(C1)c(ccc2C(F)(F)F)N1CCN(CC1)C(=O)Cn1nc(C)cc1C Show InChI InChI=1S/C27H32F3N7O2/c1-4-39-26-31-14-20(15-32-26)36-8-7-21-22(16-36)24(6-5-23(21)27(28,29)30)34-9-11-35(12-10-34)25(38)17-37-19(3)13-18(2)33-37/h5-6,13-15H,4,7-12,16-17H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30.5	n/a	n/a	n/a	n/a	n/a	n/a
Tanabe Research Laboratories USA					Assay Description The bioactivity of compounds is tested in a fluorometric imaging plate reader (FLIPR: Molecular Devices) using engineered CHO-K1 cells expressing the...				Bioorg Med Chem Lett 17: 3473-9 (2007) BindingDB Entry DOI: 10.7270/Q20R9RRK
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