Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 582.5 BDBM389740

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))	BDBM389740 (US9951063, 59) Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1nc(C)nc1C)c1ccc(c2CCN(Cc12)c1cnc(nc1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C26H28F6N8O/c1-15-12-38(8-9-39(15)23(41)14-40-17(3)35-16(2)36-40)22-5-4-21(25(27,28)29)19-6-7-37(13-20(19)22)18-10-33-24(34-11-18)26(30,31)32/h4-5,10-11,15H,6-9,12-14H2,1-3H3/t15-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12.3	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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