Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 569.0 BDBM389702

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))	BDBM389702 (US9951063, 21) Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1cnc2cccnc12)c1ccc(c2CCN(Cc12)c1ccc(Cl)cc1)C(F)(F)F Show InChI InChI=1S/C29H28ClF3N6O/c1-19-15-37(13-14-39(19)27(40)17-38-18-35-25-3-2-11-34-28(25)38)26-9-8-24(29(31,32)33)22-10-12-36(16-23(22)26)21-6-4-20(30)5-7-21/h2-9,11,18-19H,10,12-17H2,1H3/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	29.9	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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