BDBM117050 US8664236, A30::US9238651, A30

SMILES: Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCC#N)c3ccccc3)c2c1

InChI Key: InChIKey=GQJGAHNOKPIITD-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 = 117050   

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))	BDBM117050 (US8664236, A30 | US9238651, A30) Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCC#N)c3ccccc3)c2c1 Show InChI InChI=1S/C24H21N9/c1-32-15-17(13-29-32)16-10-19-20(14-28-23(19)27-12-16)21-11-22(31-24(26)30-21)33(9-5-8-25)18-6-3-2-4-7-18/h2-4,6-7,10-15H,5,9H2,1H3,(H,27,28)(H2,26,30,31)	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	7.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description The compound inhibits the target protein in the enzymatic PDK1 inhibition assay.				US Patent US8664236 (2014) BindingDB Entry DOI: 10.7270/Q2RX99RR
					More data for this Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1 (Homo sapiens (Human))	BDBM117050 (US8664236, A30 | US9238651, A30) Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCC#N)c3ccccc3)c2c1 Show InChI InChI=1S/C24H21N9/c1-32-15-17(13-29-32)16-10-19-20(14-28-23(19)27-12-16)21-11-22(31-24(26)30-21)33(9-5-8-25)18-6-3-2-4-7-18/h2-4,6-7,10-15H,5,9H2,1H3,(H,27,28)(H2,26,30,31)	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	7.10	n/a	n/a	n/a	n/a	8.0	4
MERCK PATENT GMBH US Patent					Assay Description The cellular assay for the determination of the PDK1 kinase activity is carried out as a Luminex assay in the 96-well format. PC3 cells are sown at...				US Patent US9238651 (2016) BindingDB Entry DOI: 10.7270/Q2DV1HQZ
					More data for this Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1 (Homo sapiens (Human))	BDBM117050 (US8664236, A30 | US9238651, A30) Show SMILES Cn1cc(cn1)-c1cnc2[nH]cc(-c3cc(nc(N)n3)N(CCC#N)c3ccccc3)c2c1 Show InChI InChI=1S/C24H21N9/c1-32-15-17(13-29-32)16-10-19-20(14-28-23(19)27-12-16)21-11-22(31-24(26)30-21)33(9-5-8-25)18-6-3-2-4-7-18/h2-4,6-7,10-15H,5,9H2,1H3,(H,27,28)(H2,26,30,31)	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	7.90	n/a	n/a	n/a	n/a	n/a	30
MERCK PATENT GMBH US Patent					Assay Description The experimental batches are carried out in a flashplate system with 384 wells/microtitration plate.In each case, the PDK1 sample His6-PDK1(Δ1-...				US Patent US9238651 (2016) BindingDB Entry DOI: 10.7270/Q2DV1HQZ
					More data for this Ligand-Target Pair