Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 580.6 BDBM389701

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))	BDBM389701 (US9951063, 20) Show SMILES CCOc1ncc(cn1)N1CCc2c(C1)c(ccc2C(F)(F)F)N1CCN([C@H](C)C1)C(=O)Cn1cnc2cccnc12 Show InChI InChI=1S/C29H31F3N8O2/c1-3-42-28-34-13-20(14-35-28)37-10-8-21-22(16-37)25(7-6-23(21)29(30,31)32)38-11-12-40(19(2)15-38)26(41)17-39-18-36-24-5-4-9-33-27(24)39/h4-7,9,13-14,18-19H,3,8,10-12,15-17H2,1-2H3/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.77	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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