Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 522.6 BDBM389760

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))	BDBM389760 (US9951063, 79) Show SMILES C[C@@H](C(=O)N1CCc2cccc(N3CCN([C@H](C)C3)C(=O)Cn3cnc4cccnc34)c2C1)c1ccccc1 Show InChI InChI=1S/C31H34N6O2/c1-22-18-34(16-17-37(22)29(38)20-36-21-33-27-11-7-14-32-30(27)36)28-12-6-10-25-13-15-35(19-26(25)28)31(39)23(2)24-8-4-3-5-9-24/h3-12,14,21-23H,13,15-20H2,1-2H3/t22-,23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	570	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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