Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 582.6 BDBM389690

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))	BDBM389690 (US9951063, 9) Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1nc(C)cc1C)c1ccc(c2CCN(Cc12)c1nc2ccc(C)cc2s1)C(F)(F)F Show InChI InChI=1S/C30H33F3N6OS/c1-18-5-7-25-27(13-18)41-29(34-25)37-10-9-22-23(16-37)26(8-6-24(22)30(31,32)33)36-11-12-38(21(4)15-36)28(40)17-39-20(3)14-19(2)35-39/h5-8,13-14,21H,9-12,15-17H2,1-4H3/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13.7	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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