Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 578.6 BDBM389703

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))	BDBM389703 (US9951063, 22) Show SMILES CCCc1ncc(cn1)N1CCc2c(C1)c(ccc2C(F)(F)F)N1CCN([C@H](C)C1)C(=O)Cn1cnc2cccnc12 Show InChI InChI=1S/C30H33F3N8O/c1-3-5-27-35-14-21(15-36-27)38-11-9-22-23(17-38)26(8-7-24(22)30(31,32)33)39-12-13-41(20(2)16-39)28(42)18-40-19-37-25-6-4-10-34-29(25)40/h4,6-8,10,14-15,19-20H,3,5,9,11-13,16-18H2,1-2H3/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.7	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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