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BDBM50122944 5-Phenyl-penta-2,4-dienoic acid (5-hydroxymethyl-2-isopropyl-1-methyl-3-oxo-1,2,3,4,5,6-hexahydro-benzo[e][1,4]diazocin-8-yl)-amide::CHEMBL333240

SMILES: CC(C)[C@@H]1N(C)c2ccc(NC(=O)\C=C\C=C\c3ccccc3)cc2C[C@@H](CO)NC1=O

InChI Key: InChIKey=FVAXDGYVTFLTOT-LYCQKIAQSA-N

Data: 1 KI

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 1 hit for monomerid = 50122944   
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 alpha type


(Homo sapiens (Human))
BDBM50122944
PNG
(5-Phenyl-penta-2,4-dienoic acid (5-hydroxymethyl-2...)
Show SMILES CC(C)[C@@H]1N(C)c2ccc(NC(=O)\C=C\C=C\c3ccccc3)cc2C[C@@H](CO)NC1=O
Show InChI InChI=1S/C26H31N3O3/c1-18(2)25-26(32)28-22(17-30)16-20-15-21(13-14-23(20)29(25)3)27-24(31)12-8-7-11-19-9-5-4-6-10-19/h4-15,18,22,25,30H,16-17H2,1-3H3,(H,27,31)(H,28,32)/b11-7+,12-8+/t22-,25-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
16n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of PDBU from recombinant Protein kinase C alpha with phosphatidylserine


J Med Chem 46: 364-73 (2003)


Article DOI: 10.1021/jm020350r
BindingDB Entry DOI: 10.7270/Q20864P8
More data for this
Ligand-Target Pair