Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 572.6 BDBM389721

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))	BDBM389721 (1-{(R)-4-[2-(6-Fluoro-benzothiazol-2-yl)-5-trifluo...) Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1ccc(C)n1)c1ccc(c2CCN(Cc12)c1nc2ccc(F)cc2s1)C(F)(F)F Show InChI InChI=1S/C28H28F4N6OS/c1-17-7-10-37(34-17)16-26(39)38-12-11-35(14-18(38)2)24-6-4-22(28(30,31)32)20-8-9-36(15-21(20)24)27-33-23-5-3-19(29)13-25(23)40-27/h3-7,10,13,18H,8-9,11-12,14-16H2,1-2H3/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	49	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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