Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 498.5 BDBM389770

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))	BDBM389770 (US9951063, 89) Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1cnc2cccnc12)c1cccc2CCN(Cc12)C(=O)c1ccnn1C Show InChI InChI=1S/C27H30N8O2/c1-19-15-32(13-14-35(19)25(36)17-34-18-29-22-6-4-10-28-26(22)34)23-7-3-5-20-9-12-33(16-21(20)23)27(37)24-8-11-30-31(24)2/h3-8,10-11,18-19H,9,12-17H2,1-2H3/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	955	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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