Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 476.5 BDBM392892

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))	BDBM392892 (US10301306, Example 90) Show SMILES CCC(=O)Nc1cc(ccn1)-c1c(c2c(CCNC2=O)n1CC1CCOCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C27H29FN4O3/c1-2-23(33)31-22-15-19(7-11-29-22)26-24(18-3-5-20(28)6-4-18)25-21(8-12-30-27(25)34)32(26)16-17-9-13-35-14-10-17/h3-7,11,15,17H,2,8-10,12-14,16H2,1H3,(H,30,34)(H,29,31,33)	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