Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 358.8 BDBM386006

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits 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
Ribosomal protein S6 kinase beta-1 [T412E] (Homo sapiens (Human))	BDBM386006 (2-(4-Chloro-phenyl)-2-[4-(6,7-dihydro-5H-pyrrolo[2...) Show SMILES NCC(N1CCN(CC1)c1ncnc2NCCc12)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H23ClN6/c19-14-3-1-13(2-4-14)16(11-20)24-7-9-25(10-8-24)18-15-5-6-21-17(15)22-12-23-18/h1-4,12,16H,5-11,20H2,(H,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin at Madison					Assay Description P70S6K inhibitor compounds were diluted and plated in 96 well plates. A reaction mixture including the following components was then added to the com...				J Med Chem 51: 7243-52 (2008) BindingDB Entry DOI: 10.7270/Q26M394B
					More data for this Ligand-Target Pair
Proline-rich AKT1 substrate 1 (Homo sapiens (Human))	BDBM386006 (2-(4-Chloro-phenyl)-2-[4-(6,7-dihydro-5H-pyrrolo[2...) Show SMILES NCC(N1CCN(CC1)c1ncnc2NCCc12)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H23ClN6/c19-14-3-1-13(2-4-14)16(11-20)24-7-9-25(10-8-24)18-15-5-6-21-17(15)22-12-23-18/h1-4,12,16H,5-11,20H2,(H,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin at Madison					Assay Description A TTP Mosquito liquid handling instrument was used to place 125 nl of the appropriate concentration of inhibitor in 100% DMSO (for a dose response cu...				J Med Chem 51: 7243-52 (2008) BindingDB Entry DOI: 10.7270/Q26M394B
					More data for this Ligand-Target Pair