BDBM139789 US8895581, II-10::US8895581, II-13::US8895581, II-20

SMILES: CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O

InChI Key: InChIKey=XEIHPFBOCFEJJZ-UHFFFAOYSA-N

Data: 3 IC50

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 3 hits for monomerid = 139789   

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))	BDBM139789 (US8895581, II-10 | US8895581, II-13 | US8895581, I...) Show SMILES CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O Show InChI InChI=1S/C29H24F2N6O2/c1-17(2)37-18(3)35-26-14-34-25-9-7-19(11-21(25)27(26)37)5-4-10-33-28(38)22-13-32-16-36(29(22)39)15-20-6-8-23(30)24(31)12-20/h6-9,11-14,16-17H,10,15H2,1-3H3,(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
					More data for this Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1 (Homo sapiens (Human))	BDBM139789 (US8895581, II-10 | US8895581, II-13 | US8895581, I...) Show SMILES CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O Show InChI InChI=1S/C29H24F2N6O2/c1-17(2)37-18(3)35-26-14-34-25-9-7-19(11-21(25)27(26)37)5-4-10-33-28(38)22-13-32-16-36(29(22)39)15-20-6-8-23(30)24(31)12-20/h6-9,11-14,16-17H,10,15H2,1-3H3,(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
					More data for this Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1 (Homo sapiens (Human))	BDBM139789 (US8895581, II-10 | US8895581, II-13 | US8895581, I...) Show SMILES CC(C)n1c(C)nc2cnc3ccc(cc3c12)C#CCNC(=O)c1cncn(Cc2ccc(F)c(F)c2)c1=O Show InChI InChI=1S/C29H24F2N6O2/c1-17(2)37-18(3)35-26-14-34-25-9-7-19(11-21(25)27(26)37)5-4-10-33-28(38)22-13-32-16-36(29(22)39)15-20-6-8-23(30)24(31)12-20/h6-9,11-14,16-17H,10,15H2,1-3H3,(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
					More data for this Ligand-Target Pair