Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 490.6 BDBM389808

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))	BDBM389808 (US9951063, 127) Show SMILES CCOc1ncc(cn1)N1CCc2cccc(N3CCN([C@H](C)C3)C(=O)Cn3nc(C)nc3C)c2C1 Show InChI InChI=1S/C26H34N8O2/c1-5-36-26-27-13-22(14-28-26)31-10-9-21-7-6-8-24(23(21)16-31)32-11-12-33(18(2)15-32)25(35)17-34-20(4)29-19(3)30-34/h6-8,13-14,18H,5,9-12,15-17H2,1-4H3/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	33.1	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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