Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 529.5 BDBM389802

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))	BDBM389802 (1-{(R)-4-[2-(4,6-Dimethoxy-[1,3,5]triazin-2-yl)-1,...) Show SMILES COc1nc(OC)nc(n1)N1CCc2cccc(N3CCN([C@H](C)C3)C(=O)Cn3cnc4cccnc34)c2C1 Show InChI InChI=1S/C27H31N9O3/c1-18-14-33(12-13-36(18)23(37)16-35-17-29-21-7-5-10-28-24(21)35)22-8-4-6-19-9-11-34(15-20(19)22)25-30-26(38-2)32-27(31-25)39-3/h4-8,10,17-18H,9,11-16H2,1-3H3/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.39	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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