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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 400.5
BDBM35164

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein kinase C theta type


(Homo sapiens (Human))
BDBM35164
PNG
(5-vinyl-3-pyridinecarbonitrile, 47)
Show SMILES Cc1ncc(C#N)c(Nc2ccc3[nH]ccc3c2C)c1\C=C\CCN1CCNCC1
Show InChI InChI=1S/C24H28N6/c1-17-20-8-9-27-23(20)7-6-22(17)29-24-19(15-25)16-28-18(2)21(24)5-3-4-12-30-13-10-26-11-14-30/h3,5-9,16,26-27H,4,10-14H2,1-2H3,(H,28,29)/b5-3+
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Wyeth Research



Assay Description
All IC50s were measured by using a modified IMAP protocol from Molecular Devices. The kinase reaction was carried out in a Corning Costar 384 well pl...


Bioorg Med Chem 17: 7933-48 (2009)


Article DOI: 10.1016/j.bmc.2009.10.020
BindingDB Entry DOI: 10.7270/Q2M043RT
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM35164
PNG
(5-vinyl-3-pyridinecarbonitrile, 47)
Show SMILES Cc1ncc(C#N)c(Nc2ccc3[nH]ccc3c2C)c1\C=C\CCN1CCNCC1
Show InChI InChI=1S/C24H28N6/c1-17-20-8-9-27-23(20)7-6-22(17)29-24-19(15-25)16-28-18(2)21(24)5-3-4-12-30-13-10-26-11-14-30/h3,5-9,16,26-27H,4,10-14H2,1-2H3,(H,28,29)/b5-3+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 120n/an/an/an/an/an/a



Wyeth Research



Assay Description
All IC50s were measured by using a modified IMAP protocol from Molecular Devices. The kinase reaction was carried out in a Corning Costar 384 well pl...


Bioorg Med Chem 17: 7933-48 (2009)


Article DOI: 10.1016/j.bmc.2009.10.020
BindingDB Entry DOI: 10.7270/Q2M043RT
More data for this
Ligand-Target Pair