Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 489.6 BDBM389809

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))	BDBM389809 (US9951063, 128) Show SMILES CCOc1ncc(cn1)N1CCc2cccc(N3CCN([C@H](C)C3)C(=O)Cn3nc(C)cc3C)c2C1 Show InChI InChI=1S/C27H35N7O2/c1-5-36-27-28-14-23(15-29-27)31-10-9-22-7-6-8-25(24(22)17-31)32-11-12-33(21(4)16-32)26(35)18-34-20(3)13-19(2)30-34/h6-8,13-15,21H,5,9-12,16-18H2,1-4H3/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.94	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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