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BDBM50049435 CHEMBL1968515

SMILES: O=C1CN2C(COc3ccccc23)=NN1

InChI Key: InChIKey=PNPBXXNNLJGHBP-UHFFFAOYSA-N

Data: 4 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50049435   
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 theta type


(Homo sapiens (human))
BDBM50049435
PNG
(CHEMBL1968515)
Show SMILES O=C1CN2C(COc3ccccc23)=NN1
Show InChI InChI=1S/C10H9N3O2/c14-10-5-13-7-3-1-2-4-8(7)15-6-9(13)11-12-10/h1-4H,5-6H2,(H,12,14)
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
n/an/a 4.53E+5n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCtheta expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...


J Med Chem 58: 222-36 (2015)

More data for this
Ligand-Target Pair
Protein kinase C theta type


(Homo sapiens (human))
BDBM50049435
PNG
(CHEMBL1968515)
Show SMILES O=C1CN2C(COc3ccccc23)=NN1
Show InChI InChI=1S/C10H9N3O2/c14-10-5-13-7-3-1-2-4-8(7)15-6-9(13)11-12-10/h1-4H,5-6H2,(H,12,14)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
PDB
UniChem

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Article
PubMed
n/an/a 1.90E+4n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCtheta by TR-FRET assay


J Med Chem 58: 222-36 (2015)

More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (human))
BDBM50049435
PNG
(CHEMBL1968515)
Show SMILES O=C1CN2C(COc3ccccc23)=NN1
Show InChI InChI=1S/C10H9N3O2/c14-10-5-13-7-3-1-2-4-8(7)15-6-9(13)11-12-10/h1-4H,5-6H2,(H,12,14)
PDB
MMDB

NCI pathway
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KEGG

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PC cid
PC sid
PDB
UniChem

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Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCalpha expressed in Sf21 cells using Bio-cdc peptide substrate and ATP after 60 mins by time-resolved fluorescence ...


J Med Chem 58: 222-36 (2015)

More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (human))
BDBM50049435
PNG
(CHEMBL1968515)
Show SMILES O=C1CN2C(COc3ccccc23)=NN1
Show InChI InChI=1S/C10H9N3O2/c14-10-5-13-7-3-1-2-4-8(7)15-6-9(13)11-12-10/h1-4H,5-6H2,(H,12,14)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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GoogleScholar
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PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 1.56E+5n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin) by TR-FRET assay


J Med Chem 58: 222-36 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)