Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 509.5 BDBM389819

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))	BDBM389819 (US9951063, 138) Show SMILES O=C(Cn1ccc2cccnc12)N1CCN(CC1)c1cccc2CCN(Cc12)C(=O)OCc1ccccc1 Show InChI InChI=1S/C30H31N5O3/c36-28(21-34-14-12-25-9-5-13-31-29(25)34)33-18-16-32(17-19-33)27-10-4-8-24-11-15-35(20-26(24)27)30(37)38-22-23-6-2-1-3-7-23/h1-10,12-14H,11,15-22H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12.4	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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