Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '3-phosphoinositide-dependent protein kinase 1 [51-359]' and Ligand = 'BDBM282442'   

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
3-phosphoinositide-dependent protein kinase 1 [51-359] (Homo sapiens (Human))	BDBM282442 (2-(4-(4-amino-7-(3- hydroxypropyl)-7H-pyrrolo [2,3...) Show SMILES Nc1ncnc2n(CCCO)cc(-c3ccc(CNc4ncc(cc4C(=O)Nc4ccc(F)cc4)C(F)(F)F)cc3)c12 Show InChI InChI=1S/C29H25F4N7O2/c30-20-6-8-21(9-7-20)39-28(42)22-12-19(29(31,32)33)14-36-26(22)35-13-17-2-4-18(5-3-17)23-15-40(10-1-11-41)27-24(23)25(34)37-16-38-27/h2-9,12,14-16,41H,1,10-11,13H2,(H,35,36)(H,39,42)(H2,34,37,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Sunesis Pharmaceuticals, Inc.; Millenium Pharmaceuticals, Inc. US Patent					Assay Description PDK1 (amino acids 51-359) and AKT2 (amino acids 140-467 fused to PIFtide, amino acids EEQEMFRDFDYIADW) were expressed as N-terminally tagged GST fusi...				US Patent US10030016 (2018) BindingDB Entry DOI: 10.7270/Q2S46V16
					More data for this Ligand-Target Pair