Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 574.7 BDBM389685

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))	BDBM389685 (US9951063, 4) Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1nc(C)cc1C)c1ccc(c2CCN(Cc12)c1nc(cs1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C29H37F3N6OS/c1-18-13-19(2)38(34-18)16-26(39)37-12-11-35(14-20(37)3)24-8-7-23(29(30,31)32)21-9-10-36(15-22(21)24)27-33-25(17-40-27)28(4,5)6/h7-8,13,17,20H,9-12,14-16H2,1-6H3/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20.6	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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