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BDBM50178288 CHEMBL3813849

SMILES: CCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1ccnn1C

InChI Key: InChIKey=OYAKINHWKRQOQE-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50178288   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM50178288
PNG
(CHEMBL3813849)
Show SMILES CCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1ccnn1C
Show InChI InChI=1S/C17H17N7/c1-3-11-7-14(23-17(18)22-11)13-9-20-16-12(13)6-10(8-19-16)15-4-5-21-24(15)2/h4-9H,3H2,1-2H3,(H,19,20)(H2,18,22,23)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of human His6-tagged PDK1 using biotinylated PDKtide as substrate after 60 mins by topcount method


Bioorg Med Chem Lett 26: 3073-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.005
BindingDB Entry DOI: 10.7270/Q2M61N5R
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM50178288
PNG
(CHEMBL3813849)
Show SMILES CCc1cc(nc(N)n1)-c1c[nH]c2ncc(cc12)-c1ccnn1C
Show InChI InChI=1S/C17H17N7/c1-3-11-7-14(23-17(18)22-11)13-9-20-16-12(13)6-10(8-19-16)15-4-5-21-24(15)2/h4-9H,3H2,1-2H3,(H,19,20)(H2,18,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of PDK1 in human PC3 cells assessed as reduction in AKT Thr308 phosphorylation after 45 mins


Bioorg Med Chem Lett 26: 3073-80 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.005
BindingDB Entry DOI: 10.7270/Q2M61N5R
More data for this
Ligand-Target Pair