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BDBM25008 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(piperidin-4-ylmethoxy)-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol::GSK screening, 27::oxadiazole-containing compound, 3b

SMILES: CCn1c(nc2c(ncc(OCC3CCNCC3)c12)C#CC(C)(C)O)-c1nonc1N

InChI Key: InChIKey=NTPAYIOIMIUCMN-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 25008   
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
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM25008
PNG
(4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(pip...)
Show SMILES CCn1c(nc2c(ncc(OCC3CCNCC3)c12)C#CC(C)(C)O)-c1nonc1N
Show InChI InChI=1S/C21H27N7O3/c1-4-28-18-15(30-12-13-6-9-23-10-7-13)11-24-14(5-8-21(2,3)29)16(18)25-20(28)17-19(22)27-31-26-17/h11,13,23,29H,4,6-7,9-10,12H2,1-3H3,(H2,22,27)
PDB

UniProtKB/SwissProt

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UniChem

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Article
PubMed
n/an/a 10n/an/an/an/a7.522



GlaxoSmithKline



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...


J Med Chem 51: 5663-79 (2008)


Article DOI: 10.1021/jm8004527
BindingDB Entry DOI: 10.7270/Q29G5K3H
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase TBK1


(Homo sapiens (Human))
BDBM25008
PNG
(4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(pip...)
Show SMILES CCn1c(nc2c(ncc(OCC3CCNCC3)c12)C#CC(C)(C)O)-c1nonc1N
Show InChI InChI=1S/C21H27N7O3/c1-4-28-18-15(30-12-13-6-9-23-10-7-13)11-24-14(5-8-21(2,3)29)16(18)25-20(28)17-19(22)27-31-26-17/h11,13,23,29H,4,6-7,9-10,12H2,1-3H3,(H2,22,27)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 718n/an/an/an/an/an/a



Technical University of Dortmund



Assay Description
IC50 determinations for TBK1 were performed with the KinEASE-STK assay from Cisbio according to the manufacturer's instructions. A biotinylated s...


ACS Chem Biol 10: 289-98 (2015)


Article DOI: 10.1021/cb500908d
BindingDB Entry DOI: 10.7270/Q2WH2NRB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT


(Homo sapiens (Human))
BDBM25008
PNG
(4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(pip...)
Show SMILES CCn1c(nc2c(ncc(OCC3CCNCC3)c12)C#CC(C)(C)O)-c1nonc1N
Show InChI InChI=1S/C21H27N7O3/c1-4-28-18-15(30-12-13-6-9-23-10-7-13)11-24-14(5-8-21(2,3)29)16(18)25-20(28)17-19(22)27-31-26-17/h11,13,23,29H,4,6-7,9-10,12H2,1-3H3,(H2,22,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 40n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...


J Med Chem 51: 5663-79 (2008)


Article DOI: 10.1021/jm8004527
BindingDB Entry DOI: 10.7270/Q29G5K3H
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase AKT2


(Homo sapiens (Human))
BDBM25008
PNG
(4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(pip...)
Show SMILES CCn1c(nc2c(ncc(OCC3CCNCC3)c12)C#CC(C)(C)O)-c1nonc1N
Show InChI InChI=1S/C21H27N7O3/c1-4-28-18-15(30-12-13-6-9-23-10-7-13)11-24-14(5-8-21(2,3)29)16(18)25-20(28)17-19(22)27-31-26-17/h11,13,23,29H,4,6-7,9-10,12H2,1-3H3,(H2,22,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 8n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from radiolabeled AT...


J Med Chem 51: 5663-79 (2008)


Article DOI: 10.1021/jm8004527
BindingDB Entry DOI: 10.7270/Q29G5K3H
More data for this
Ligand-Target Pair