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BDBM35160 5-vinyl-3-pyridinecarbonitrile, 42

SMILES: CC(C)S(=O)(=O)N1CCN(CC\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1

InChI Key: InChIKey=HAYBNIARWRGYIC-GQCTYLIASA-N

Data: 2 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 2 hits for monomerid = 35160   
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
Protein kinase C delta type


(Homo sapiens (Human))
BDBM35160
PNG
(5-vinyl-3-pyridinecarbonitrile, 42)
Show SMILES CC(C)S(=O)(=O)N1CCN(CC\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
Show InChI InChI=1S/C26H32N6O2S/c1-19(2)35(33,34)32-14-12-31(13-15-32)11-5-4-6-21-17-28-18-22(16-27)26(21)30-24-7-8-25-23(20(24)3)9-10-29-25/h4,6-10,17-19,29H,5,11-15H2,1-3H3,(H,28,30)/b6-4+
PDB
MMDB

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KEGG

UniProtKB/SwissProt
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B.MOAD
DrugBank
antibodypedia
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AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 81n/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 theta type


(Homo sapiens (Human))
BDBM35160
PNG
(5-vinyl-3-pyridinecarbonitrile, 42)
Show SMILES CC(C)S(=O)(=O)N1CCN(CC\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)CC1
Show InChI InChI=1S/C26H32N6O2S/c1-19(2)35(33,34)32-14-12-31(13-15-32)11-5-4-6-21-17-28-18-22(16-27)26(21)30-24-7-8-25-23(20(24)3)9-10-29-25/h4,6-10,17-19,29H,5,11-15H2,1-3H3,(H,28,30)/b6-4+
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 11n/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