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BDBM50316342 2-[5-(2-Aminoethoxy)pyridin-3-yl]-8,9-dimethoxybenzo[c]-2,7-naphthyridin-4-amine::CHEMBL1095278

SMILES: COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(OCCN)c1

InChI Key: InChIKey=KKXKMMGAGIUIAK-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 = 50316342   
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))
BDBM50316342
PNG
(2-[5-(2-Aminoethoxy)pyridin-3-yl]-8,9-dimethoxyben...)
Show SMILES COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(OCCN)c1
Show InChI InChI=1S/C21H21N5O3/c1-27-19-7-15-14-6-17(12-5-13(10-24-9-12)29-4-3-22)26-21(23)16(14)11-25-18(15)8-20(19)28-2/h5-11H,3-4,22H2,1-2H3,(H2,23,26)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged-PDK1 expressed in HEK293 cells


Eur J Med Chem 45: 1379-86 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.036
BindingDB Entry DOI: 10.7270/Q2HD7VT5
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (Human))
BDBM50316342
PNG
(2-[5-(2-Aminoethoxy)pyridin-3-yl]-8,9-dimethoxyben...)
Show SMILES COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(OCCN)c1
Show InChI InChI=1S/C21H21N5O3/c1-27-19-7-15-14-6-17(12-5-13(10-24-9-12)29-4-3-22)26-21(23)16(14)11-25-18(15)8-20(19)28-2/h5-11H,3-4,22H2,1-2H3,(H2,23,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 80n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of p70S6K


Eur J Med Chem 45: 1379-86 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.036
BindingDB Entry DOI: 10.7270/Q2HD7VT5
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50316342
PNG
(2-[5-(2-Aminoethoxy)pyridin-3-yl]-8,9-dimethoxyben...)
Show SMILES COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(OCCN)c1
Show InChI InChI=1S/C21H21N5O3/c1-27-19-7-15-14-6-17(12-5-13(10-24-9-12)29-4-3-22)26-21(23)16(14)11-25-18(15)8-20(19)28-2/h5-11H,3-4,22H2,1-2H3,(H2,23,26)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 402n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of AKT


Eur J Med Chem 45: 1379-86 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.036
BindingDB Entry DOI: 10.7270/Q2HD7VT5
More data for this
Ligand-Target Pair