Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 598.6 BDBM389639

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))	BDBM389639 (US9951063, 1) Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1nc(C)cc1C)c1ccc(c2CCN(Cc12)c1ncc(Cn2cccn2)s1)C(F)(F)F Show InChI InChI=1S/C29H33F3N8OS/c1-19-13-20(2)40(35-19)18-27(41)39-12-11-36(15-21(39)3)26-6-5-25(29(30,31)32)23-7-10-37(17-24(23)26)28-33-14-22(42-28)16-38-9-4-8-34-38/h4-6,8-9,13-14,21H,7,10-12,15-18H2,1-3H3/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.47	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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