Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 566.5 BDBM389709

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))	BDBM389709 (US9951063, 28) Show SMILES CCOc1ncc(cn1)N1CCc2c(C1)c(ccc2C(F)(F)F)N1CCN(CC1)C(=O)Cn1cnc2cccnc12 Show InChI InChI=1S/C28H29F3N8O2/c1-2-41-27-33-14-19(15-34-27)38-9-7-20-21(16-38)24(6-5-22(20)28(29,30)31)36-10-12-37(13-11-36)25(40)17-39-18-35-23-4-3-8-32-26(23)39/h3-6,8,14-15,18H,2,7,9-13,16-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	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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