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BDBM50316350 2-(5-{[(2R)-2-Amino-3-phenylpropyl]oxy}pyridin-3-yl)-8,9-dimethoxybenzo[c]-2,7-naphthyridin-4-amine::2-(5-{[(2R)-2-amino-3-phenylpropyl]oxy}pyridin-3-yl)-8,9-dimethoxybenzo[c][2,7]naphthyridin-4-amine::CHEMBL1095294

SMILES: COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(OC[C@H](N)Cc2ccccc2)c1

InChI Key: InChIKey=XNXUJUXYVTYIGP-TWYLJJHKNA-N

Data: 3 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50316350   
Target
(Institution)
LigandTarget
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))
BDBM50316350
PNG
(2-(5-{[(2R)-2-Amino-3-phenylpropyl]oxy}pyridin-3-y...)
Show SMILES COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(OC[C@H](N)Cc2ccccc2)c1 |r|
Show InChI InChI=1/C28H27N5O3/c1-34-26-11-22-21-10-24(33-28(30)23(21)15-32-25(22)12-27(26)35-2)18-9-20(14-31-13-18)36-16-19(29)8-17-6-4-3-5-7-17/h3-7,9-15,19H,8,16,29H2,1-2H3,(H2,30,33)/t19-/s2
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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CHEMBL
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PC cid
PC sid
PDB
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Similars

AffyNet 
MMDB
PDB
Article
PubMed
n/an/a 17n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Ribosomal protein S6 kinase (P70S6K)


(Homo sapiens (human))
BDBM50316350
PNG
(2-(5-{[(2R)-2-Amino-3-phenylpropyl]oxy}pyridin-3-y...)
Show SMILES COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(OC[C@H](N)Cc2ccccc2)c1 |r|
Show InChI InChI=1/C28H27N5O3/c1-34-26-11-22-21-10-24(33-28(30)23(21)15-32-25(22)12-27(26)35-2)18-9-20(14-31-13-18)36-16-19(29)8-17-6-4-3-5-7-17/h3-7,9-15,19H,8,16,29H2,1-2H3,(H2,30,33)/t19-/s2
PDB
MMDB

NCI pathway
Reactome pathway
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KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
n/an/a 88n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of p70S6K


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

More data for this
Ligand-Target Pair
AKT/p21CIP1


(Homo sapiens (human))
BDBM50316350
PNG
(2-(5-{[(2R)-2-Amino-3-phenylpropyl]oxy}pyridin-3-y...)
Show SMILES COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(OC[C@H](N)Cc2ccccc2)c1 |r|
Show InChI InChI=1/C28H27N5O3/c1-34-26-11-22-21-10-24(33-28(30)23(21)15-32-25(22)12-27(26)35-2)18-9-20(14-31-13-18)36-16-19(29)8-17-6-4-3-5-7-17/h3-7,9-15,19H,8,16,29H2,1-2H3,(H2,30,33)/t19-/s2
PDB
MMDB

NCI pathway
Reactome pathway
SMPDB pathway
KEGG

UniProtKB/SwissProt

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

Similars

AffyNet 
Article
PubMed
n/an/a 259n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of AKT


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

More data for this
Ligand-Target Pair