Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 510.5 BDBM389818

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))	BDBM389818 (US9951063, 137) Show SMILES O=C(Cn1cnc2cccnc12)N1CCN(CC1)c1cccc2CCN(Cc12)C(=O)OCc1ccccc1 Show InChI InChI=1S/C29H30N6O3/c36-27(19-35-21-31-25-9-5-12-30-28(25)35)33-16-14-32(15-17-33)26-10-4-8-23-11-13-34(18-24(23)26)29(37)38-20-22-6-2-1-3-7-22/h1-10,12,21H,11,13-20H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.10	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
					More data for this Ligand-Target Pair