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BDBM50281601 13-butylcarbonyloxy-1,6-dihydroxy-8-hydroxymethyl-4,12,12,15-tetramethyl-5-oxotetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dien-14-yl pentanoate::CHEMBL346228

SMILES: CCCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(=O)CCCC

InChI Key: InChIKey=NXXWIMJBQMETKL-MTQKQDJNSA-N

Data: 1 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50281601   
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))
BDBM50281601
PNG
(13-butylcarbonyloxy-1,6-dihydroxy-8-hydroxymethyl-...)
Show SMILES CCCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@]12OC(=O)CCCC
Show InChI InChI=1S/C30H44O8/c1-7-9-11-22(32)37-26-18(4)29(36)20(24-27(5,6)30(24,26)38-23(33)12-10-8-2)14-19(16-31)15-28(35)21(29)13-17(3)25(28)34/h13-14,18,20-21,24,26,31,35-36H,7-12,15-16H2,1-6H3/t18-,20+,21-,24?,26-,28-,29-,30-/m1/s1
PDB
MMDB

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Similars

Article
0.540n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBU from protein kinase C-alpha


Bioorg Med Chem Lett 3: 577-580 (1993)

More data for this
Ligand-Target Pair