BDBM139847 US8895581, III-33

SMILES: CCn1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O

InChI Key: InChIKey=KNWXHDNUAXAZBV-UHFFFAOYSA-N

Data: 1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 139847   

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))	BDBM139847 (US8895581, III-33) Show SMILES CCn1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O Show InChI InChI=1S/C28H22F2N6O2/c1-3-36-17(2)34-25-14-33-24-9-7-18(11-20(24)26(25)36)5-4-10-32-27(37)21-13-31-16-35(28(21)38)15-19-6-8-22(29)23(30)12-19/h6-9,11-14,16H,3,10,15H2,1-2H3,(H,32,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Recombinant human PDK1 enzyme (aa 52-556) linked at its N-terminal end to His6 is isolated from baculovirus-infected insect cells. Purified enzyme ma...				US Patent US8895581 (2014) BindingDB Entry DOI: 10.7270/Q2HM5742
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