Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 580.6 BDBM389714

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))	BDBM389714 (US9951063, 33) Show SMILES CCOc1ncc(cn1)N1CCc2c(C1)c(ccc2C(F)(F)F)N1CCN(CC1)C(=O)CN1C(=O)Cc2ccccc12 Show InChI InChI=1S/C30H31F3N6O3/c1-2-42-29-34-16-21(17-35-29)38-10-9-22-23(18-38)26(8-7-24(22)30(31,32)33)36-11-13-37(14-12-36)28(41)19-39-25-6-4-3-5-20(25)15-27(39)40/h3-8,16-17H,2,9-15,18-19H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.9	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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