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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Protein kinase C delta' and Ligand = 'BDBM50133235'   
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


(Mus musculus)
BDBM50133235
PNG
(CHEMBL132720 | Docosanedioic acid ((S)-5-hydroxyme...)
Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O
Show InChI InChI=1S/C52H84N6O6/c1-37(2)49-51(63)56-44(36-60)33-40-32-41(29-30-45(40)57(49)5)53-47(61)25-23-21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-24-26-48(62)54-42-28-27-39-31-43(35-59)55-52(64)50(38(3)4)58(6)46(39)34-42/h27-30,32,34,37-38,43-44,49-50,59-60H,7-26,31,33,35-36H2,1-6H3,(H,53,61)(H,54,62)(H,55,64)(H,56,63)/t43-,44-,49-,50-/m0/s1
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B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.110n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Tested for ability to displace [20e3] phorbol 12,13- dibutyrate binding from recombinant C1b domain of murine Protein kinase C delta in presence of [...


J Med Chem 46: 4196-204 (2003)


Article DOI: 10.1021/jm0302041
BindingDB Entry DOI: 10.7270/Q2GF0SX2
More data for this
Ligand-Target Pair
Protein kinase C delta


(Mus musculus)
BDBM50133235
PNG
(CHEMBL132720 | Docosanedioic acid ((S)-5-hydroxyme...)
Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)Nc3ccc4C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)c4c3)cc2C[C@@H](CO)NC1=O
Show InChI InChI=1S/C52H84N6O6/c1-37(2)49-51(63)56-44(36-60)33-40-32-41(29-30-45(40)57(49)5)53-47(61)25-23-21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-24-26-48(62)54-42-28-27-39-31-43(35-59)55-52(64)50(38(3)4)58(6)46(39)34-42/h27-30,32,34,37-38,43-44,49-50,59-60H,7-26,31,33,35-36H2,1-6H3,(H,53,61)(H,54,62)(H,55,64)(H,56,63)/t43-,44-,49-,50-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.380n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Tested for ability to displace [20e3] phorbol 12,13- dibutyrate binding from recombinant murine Protein kinase C delta in presence of [Ca2+]


J Med Chem 46: 4196-204 (2003)


Article DOI: 10.1021/jm0302041
BindingDB Entry DOI: 10.7270/Q2GF0SX2
More data for this
Ligand-Target Pair