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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 644.7
BDBM50554605

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 delta type


(Mus musculus)
BDBM50554605
PNG
(CHEMBL4755092)
Show SMILES [H][C@@]12CCC(C)(C)[C@]3(C[C@]([H])(OC(=O)C[C@H](CO)OC(=O)C1)[C@H](C)[C@@H](CCCCc1cccc4cc(OCc5ccccc5)ccc14)O3)O2 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
0.740n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-PDBu from PKCdelta C1B domain in CD-1 mouse brain cytosol


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127657
BindingDB Entry DOI: 10.7270/Q2SB49DT
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(MOUSE)
BDBM50554605
PNG
(CHEMBL4755092)
Show SMILES [H][C@@]12CCC(C)(C)[C@]3(C[C@]([H])(OC(=O)C[C@H](CO)OC(=O)C1)[C@H](C)[C@@H](CCCCc1cccc4cc(OCc5ccccc5)ccc14)O3)O2 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
7.60n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-PDBu from PKCalpha C1A domain in CD-1 mouse brain cytosol


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127657
BindingDB Entry DOI: 10.7270/Q2SB49DT
More data for this
Ligand-Target Pair