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2 similar compounds to monomer 16590

Compile data set for download or QSAR
Wt: 313.1
BDBM103927
Wt: 250.2
BDBM50381095

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 103927,50381095   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM103927
PNG
(US8569511, 11)
Show SMILES Brc1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1
Show InChI InChI=1S/C14H9BrN4/c15-8-5-6-10-9(7-8)13(19-18-10)14-16-11-3-1-2-4-12(11)17-14/h1-7H,(H,16,17)(H,18,19)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.09E+4n/an/an/an/an/an/a



University of Utah Research Foundation

US Patent


Assay Description
The primary assay for compound inhibitory activity was the ATP depletion assay using the PDKtide substrate purchase from Millipore Corporation.


US Patent US8569511 (2013)


BindingDB Entry DOI: 10.7270/Q2T1528Q
More data for this
Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1


(Homo sapiens (Human))
BDBM103927
PNG
(US8569511, 11)
Show SMILES Brc1ccc2[nH]nc(-c3nc4ccccc4[nH]3)c2c1
Show InChI InChI=1S/C14H9BrN4/c15-8-5-6-10-9(7-8)13(19-18-10)14-16-11-3-1-2-4-12(11)17-14/h1-7H,(H,16,17)(H,18,19)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.09E+4n/an/an/an/an/an/a



Brigham Young University

Curated by ChEMBL


Assay Description
Inhibition of PDK1 (unknown origin) after 1 hr in presence of Ser/Thr-07 by fluorometric assay


Bioorg Med Chem Lett 27: 5473-5480 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.041
BindingDB Entry DOI: 10.7270/Q2KD21JC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK


(Homo sapiens (Human))
BDBM50381095
PNG
(CHEMBL2017550)
Show SMILES Oc1ccc2nc([nH]c2c1)-c1n[nH]c2ccccc12
Show InChI InChI=1S/C14H10N4O/c19-8-5-6-11-12(7-8)16-14(15-11)13-9-3-1-2-4-10(9)17-18-13/h1-7,19H,(H,15,16)(H,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminus His6 tagged Itk (357-620) autophosphorylation expressed in insect Sf9 cells using [33P]ATP by scintillation coun...


Bioorg Med Chem Lett 22: 3296-300 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.016
BindingDB Entry DOI: 10.7270/Q2BG2Q00
More data for this
Ligand-Target Pair