Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 417.5 BDBM392906

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
Receptor-interacting serine/threonine-protein kinase 3 (Homo sapiens (Human))	BDBM392906 (US10301306, Example 104) Show SMILES COc1ccc(cc1)-c1c2c(CCNC2=O)n(CC2CCOCC2)c1-c1ccncc1 Show InChI InChI=1S/C25H27N3O3/c1-30-20-4-2-18(3-5-20)22-23-21(8-13-27-25(23)29)28(16-17-9-14-31-15-10-17)24(22)19-6-11-26-12-7-19/h2-7,11-12,17H,8-10,13-16H2,1H3,(H,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description The assays were performed in black 1536-well plates. The final assay volume of 2 μl contained a mixture of a fluorescently labeled HTRF probe, T...				Bioorg Med Chem Lett 18: 5018-22 (2008) BindingDB Entry DOI: 10.7270/Q2M90C19
					More data for this Ligand-Target Pair