Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 597.5 BDBM389700

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))	BDBM389700 (US9951063, 19) Show SMILES COc1nc(OC)nc(n1)N1CCc2c(C1)c(ccc2C(F)(F)F)N1CCN([C@H](C)C1)C(=O)Cn1cnc2cccnc12 Show InChI InChI=1S/C28H30F3N9O3/c1-17-13-37(11-12-40(17)23(41)15-39-16-33-21-5-4-9-32-24(21)39)22-7-6-20(28(29,30)31)18-8-10-38(14-19(18)22)25-34-26(42-2)36-27(35-25)43-3/h4-7,9,16-17H,8,10-15H2,1-3H3/t17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11.7	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
					More data for this Ligand-Target Pair