Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 500.6 BDBM389751

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))	BDBM389751 (US9951063, 70) Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1cnc2cccnc12)c1cccc2CCN(Cc12)C(=O)C1CCCCC1 Show InChI InChI=1S/C29H36N6O2/c1-21-17-32(15-16-35(21)27(36)19-34-20-31-25-10-6-13-30-28(25)34)26-11-5-9-22-12-14-33(18-24(22)26)29(37)23-7-3-2-4-8-23/h5-6,9-11,13,20-21,23H,2-4,7-8,12,14-19H2,1H3/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55.5	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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