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BDBM50316351 2-(5-{[(2S)-2-Amino-3-(4-fluorophenyl)propyl]oxy}pyridin-3-yl)-8,9-dimethoxybenzo[c]-2,7-naphthyridin-4-amine::CHEMBL1095621

SMILES: COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(OC[C@@H](N)Cc2ccc(F)cc2)c1

InChI Key: InChIKey=OBAJYVJLNXGBOG-IBGZPJMESA-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 = 50316351   
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))
BDBM50316351
PNG
(2-(5-{[(2S)-2-Amino-3-(4-fluorophenyl)propyl]oxy}p...)
Show SMILES COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(OC[C@@H](N)Cc2ccc(F)cc2)c1 |r|
Show InChI InChI=1S/C28H26FN5O3/c1-35-26-10-22-21-9-24(34-28(31)23(21)14-33-25(22)11-27(26)36-2)17-8-20(13-32-12-17)37-15-19(30)7-16-3-5-18(29)6-4-16/h3-6,8-14,19H,7,15,30H2,1-2H3,(H2,31,34)/t19-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3n/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))
BDBM50316351
PNG
(2-(5-{[(2S)-2-Amino-3-(4-fluorophenyl)propyl]oxy}p...)
Show SMILES COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(OC[C@@H](N)Cc2ccc(F)cc2)c1 |r|
Show InChI InChI=1S/C28H26FN5O3/c1-35-26-10-22-21-9-24(34-28(31)23(21)14-33-25(22)11-27(26)36-2)17-8-20(13-32-12-17)37-15-19(30)7-16-3-5-18(29)6-4-16/h3-6,8-14,19H,7,15,30H2,1-2H3,(H2,31,34)/t19-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 21n/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 AKT1


(Homo sapiens (Human))
BDBM50316351
PNG
(2-(5-{[(2S)-2-Amino-3-(4-fluorophenyl)propyl]oxy}p...)
Show SMILES COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(OC[C@@H](N)Cc2ccc(F)cc2)c1 |r|
Show InChI InChI=1S/C28H26FN5O3/c1-35-26-10-22-21-9-24(34-28(31)23(21)14-33-25(22)11-27(26)36-2)17-8-20(13-32-12-17)37-15-19(30)7-16-3-5-18(29)6-4-16/h3-6,8-14,19H,7,15,30H2,1-2H3,(H2,31,34)/t19-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 183n/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