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BDBM50316348 2-(5-{[(2R)-2-Amino-4-methylpentyl]oxy}pyridin-3-yl)-8,9-dimethoxybenzo[c]-2,7-naphthyridin-4-amine::CHEMBL1094637

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

InChI Key: InChIKey=YPVWKNICBVIRFI-MRXNPFEDSA-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 = 50316348   
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))
BDBM50316348
PNG
(2-(5-{[(2R)-2-Amino-4-methylpentyl]oxy}pyridin-3-y...)
Show SMILES COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(OC[C@H](N)CC(C)C)c1 |r|
Show InChI InChI=1S/C25H29N5O3/c1-14(2)5-16(26)13-33-17-6-15(10-28-11-17)21-7-18-19-8-23(31-3)24(32-4)9-22(19)29-12-20(18)25(27)30-21/h6-12,14,16H,5,13,26H2,1-4H3,(H2,27,30)/t16-/m1/s1
PDB
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 18n/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))
BDBM50316348
PNG
(2-(5-{[(2R)-2-Amino-4-methylpentyl]oxy}pyridin-3-y...)
Show SMILES COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(OC[C@H](N)CC(C)C)c1 |r|
Show InChI InChI=1S/C25H29N5O3/c1-14(2)5-16(26)13-33-17-6-15(10-28-11-17)21-7-18-19-8-23(31-3)24(32-4)9-22(19)29-12-20(18)25(27)30-21/h6-12,14,16H,5,13,26H2,1-4H3,(H2,27,30)/t16-/m1/s1
PDB
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NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 443n/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))
BDBM50316348
PNG
(2-(5-{[(2R)-2-Amino-4-methylpentyl]oxy}pyridin-3-y...)
Show SMILES COc1cc2ncc3c(N)nc(cc3c2cc1OC)-c1cncc(OC[C@H](N)CC(C)C)c1 |r|
Show InChI InChI=1S/C25H29N5O3/c1-14(2)5-16(26)13-33-17-6-15(10-28-11-17)21-7-18-19-8-23(31-3)24(32-4)9-22(19)29-12-20(18)25(27)30-21/h6-12,14,16H,5,13,26H2,1-4H3,(H2,27,30)/t16-/m1/s1
PDB

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UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40E+3n/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