BDBM92402 PDK1 inhibitor, 2

SMILES: CC(Nc1nc2c(c[nH]c(=O)c2c2cc(ccc12)-c1cn[nH]c1)C#CC1CC1)C(C)(C)C

InChI Key: InChIKey=XDVFCQNIWVDULB-UHFFFAOYSA-N

Data: 1 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 92402   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
3-phosphoinositide dependent protein kinase-1 (Homo sapiens (Human))	BDBM92402 (PDK1 inhibitor, 2) Show SMILES CC(Nc1nc2c(c[nH]c(=O)c2c2cc(ccc12)-c1cn[nH]c1)C#CC1CC1)C(C)(C)C Show InChI InChI=1S/C26H27N5O/c1-15(26(2,3)4)30-24-20-10-9-17(19-13-28-29-14-19)11-21(20)22-23(31-24)18(12-27-25(22)32)8-7-16-5-6-16/h9-16H,5-6H2,1-4H3,(H,27,32)(H,28,29)(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description Enzyme potency (PDK1 EC50)was determined using recombinant, purified full-length human PDK1 enzyme and AKT-Thr-308-tide as substrate.				J Biol Chem 286: 6433-48 (2011) Article DOI: 10.1074/jbc.M110.156463 BindingDB Entry DOI: 10.7270/Q21C1VGQ
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