BDBM139782 US8895581, II-3

SMILES: CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O

InChI Key: InChIKey=LIPQQIIFVLNDNR-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 = 139782   

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))	BDBM139782 (US8895581, II-3) Show SMILES CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O Show InChI InChI=1S/C30H25F2N5O2/c1-18(2)37-19(3)35-27-16-34-26-11-9-20(14-23(26)28(27)37)6-4-12-33-29(38)22-7-5-13-36(30(22)39)17-21-8-10-24(31)25(32)15-21/h5,7-11,13-16,18H,12,17H2,1-3H3,(H,33,38)	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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