Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 565.5 BDBM389734

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))	BDBM389734 (US9951063, 53) Show SMILES CNc1ncc(cn1)N1CCc2c(C1)c(ccc2C(F)(F)F)N1CCN([C@H](C)C1)C(=O)Cn1ncc2cccnc12 Show InChI InChI=1S/C28H30F3N9O/c1-18-15-38(10-11-39(18)25(41)17-40-26-19(12-36-40)4-3-8-33-26)24-6-5-23(28(29,30)31)21-7-9-37(16-22(21)24)20-13-34-27(32-2)35-14-20/h3-6,8,12-14,18H,7,9-11,15-17H2,1-2H3,(H,32,34,35)/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.15	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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