Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 458.5 BDBM389742

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))	BDBM389742 (US9951063, 61) Show SMILES C[C@@H]1CN(CCN1C(=O)Cn1cnc2cccnc12)c1cccc2CCN(Cc12)C(=O)C1CC1 Show InChI InChI=1S/C26H30N6O2/c1-18-14-29(12-13-32(18)24(33)16-31-17-28-22-5-3-10-27-25(22)31)23-6-2-4-19-9-11-30(15-21(19)23)26(34)20-7-8-20/h2-6,10,17-18,20H,7-9,11-16H2,1H3/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	223	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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