Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 481.5 BDBM389773

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))	BDBM389773 (US9951063, 92) Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1cnc2cccnc12)c1cccc2CCN(Cc12)c1ccc(C)nc1 Show InChI InChI=1S/C28H31N7O/c1-20-8-9-23(15-30-20)32-12-10-22-5-3-7-26(24(22)17-32)33-13-14-35(21(2)16-33)27(36)18-34-19-31-25-6-4-11-29-28(25)34/h3-9,11,15,19,21H,10,12-14,16-18H2,1-2H3/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.970	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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