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BDBM50099646 5,6-dihydroxy-7-hydroxymethyl-3,11,11,14-tetramethyl-15-oxo-4-phenylcarbonyloxy-(14R)-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-diene::CHEMBL46094::Ingenol-3-bezoate

SMILES: C[C@@H]1C[C@@H]2[C@H]([C@@H]3C=C(CO)[C@@H](O)[C@]4(O)[C@@H](OC(=O)c5ccccc5)C(C)=CC14C3=O)C2(C)C

InChI Key: InChIKey=VYLJAGRINUHTSF-ANDPNTKFSA-N

Data: 8 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 8 hits for monomerid = 50099646   
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 delta


(Mus musculus)
BDBM50099646
PNG
(5,6-dihydroxy-7-hydroxymethyl-3,11,11,14-tetrameth...)
Show SMILES C[C@@H]1C[C@@H]2[C@H]([C@@H]3C=C(CO)[C@@H](O)[C@]4(O)[C@@H](OC(=O)c5ccccc5)C(C)=CC14C3=O)C2(C)C
Show InChI InChI=1S/C27H32O6/c1-14-12-26-15(2)10-19-20(25(19,3)4)18(22(26)30)11-17(13-28)21(29)27(26,32)23(14)33-24(31)16-8-6-5-7-9-16/h5-9,11-12,15,18-21,23,28-29,32H,10,13H2,1-4H3/t15-,18+,19-,20?,21-,23+,26?,27+/m1/s1
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0.130n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from protein kinase C delta C1b domain (Wild type)


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


(Homo sapiens (human))
BDBM50099646
PNG
(5,6-dihydroxy-7-hydroxymethyl-3,11,11,14-tetrameth...)
Show SMILES C[C@@H]1C[C@@H]2[C@H]([C@@H]3C=C(CO)[C@@H](O)[C@]4(O)[C@@H](OC(=O)c5ccccc5)C(C)=CC14C3=O)C2(C)C
Show InChI InChI=1S/C27H32O6/c1-14-12-26-15(2)10-19-20(25(19,3)4)18(22(26)30)11-17(13-28)21(29)27(26,32)23(14)33-24(31)16-8-6-5-7-9-16/h5-9,11-12,15,18-21,23,28-29,32H,10,13H2,1-4H3/t15-,18+,19-,20?,21-,23+,26?,27+/m1/s1
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Article
0.140n/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
Protein kinase C delta


(Mus musculus)
BDBM50099646
PNG
(5,6-dihydroxy-7-hydroxymethyl-3,11,11,14-tetrameth...)
Show SMILES C[C@@H]1C[C@@H]2[C@H]([C@@H]3C=C(CO)[C@@H](O)[C@]4(O)[C@@H](OC(=O)c5ccccc5)C(C)=CC14C3=O)C2(C)C
Show InChI InChI=1S/C27H32O6/c1-14-12-26-15(2)10-19-20(25(19,3)4)18(22(26)30)11-17(13-28)21(29)27(26,32)23(14)33-24(31)16-8-6-5-7-9-16/h5-9,11-12,15,18-21,23,28-29,32H,10,13H2,1-4H3/t15-,18+,19-,20?,21-,23+,26?,27+/m1/s1
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0.150n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from protein kinase C delta C1b domain mutant (F13G)


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C delta


(Mus musculus)
BDBM50099646
PNG
(5,6-dihydroxy-7-hydroxymethyl-3,11,11,14-tetrameth...)
Show SMILES C[C@@H]1C[C@@H]2[C@H]([C@@H]3C=C(CO)[C@@H](O)[C@]4(O)[C@@H](OC(=O)c5ccccc5)C(C)=CC14C3=O)C2(C)C
Show InChI InChI=1S/C27H32O6/c1-14-12-26-15(2)10-19-20(25(19,3)4)18(22(26)30)11-17(13-28)21(29)27(26,32)23(14)33-24(31)16-8-6-5-7-9-16/h5-9,11-12,15,18-21,23,28-29,32H,10,13H2,1-4H3/t15-,18+,19-,20?,21-,23+,26?,27+/m1/s1
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0.720n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from protein kinase C delta C1b domain mutant (T12G)


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C delta


(Mus musculus)
BDBM50099646
PNG
(5,6-dihydroxy-7-hydroxymethyl-3,11,11,14-tetrameth...)
Show SMILES C[C@@H]1C[C@@H]2[C@H]([C@@H]3C=C(CO)[C@@H](O)[C@]4(O)[C@@H](OC(=O)c5ccccc5)C(C)=CC14C3=O)C2(C)C
Show InChI InChI=1S/C27H32O6/c1-14-12-26-15(2)10-19-20(25(19,3)4)18(22(26)30)11-17(13-28)21(29)27(26,32)23(14)33-24(31)16-8-6-5-7-9-16/h5-9,11-12,15,18-21,23,28-29,32H,10,13H2,1-4H3/t15-,18+,19-,20?,21-,23+,26?,27+/m1/s1
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1.08n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from protein kinase C delta C1b domain mutant (L20G)


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C delta


(Mus musculus)
BDBM50099646
PNG
(5,6-dihydroxy-7-hydroxymethyl-3,11,11,14-tetrameth...)
Show SMILES C[C@@H]1C[C@@H]2[C@H]([C@@H]3C=C(CO)[C@@H](O)[C@]4(O)[C@@H](OC(=O)c5ccccc5)C(C)=CC14C3=O)C2(C)C
Show InChI InChI=1S/C27H32O6/c1-14-12-26-15(2)10-19-20(25(19,3)4)18(22(26)30)11-17(13-28)21(29)27(26,32)23(14)33-24(31)16-8-6-5-7-9-16/h5-9,11-12,15,18-21,23,28-29,32H,10,13H2,1-4H3/t15-,18+,19-,20?,21-,23+,26?,27+/m1/s1
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1.41n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from protein kinase C delta C1b domain mutant (Q27V)


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C delta


(Mus musculus)
BDBM50099646
PNG
(5,6-dihydroxy-7-hydroxymethyl-3,11,11,14-tetrameth...)
Show SMILES C[C@@H]1C[C@@H]2[C@H]([C@@H]3C=C(CO)[C@@H](O)[C@]4(O)[C@@H](OC(=O)c5ccccc5)C(C)=CC14C3=O)C2(C)C
Show InChI InChI=1S/C27H32O6/c1-14-12-26-15(2)10-19-20(25(19,3)4)18(22(26)30)11-17(13-28)21(29)27(26,32)23(14)33-24(31)16-8-6-5-7-9-16/h5-9,11-12,15,18-21,23,28-29,32H,10,13H2,1-4H3/t15-,18+,19-,20?,21-,23+,26?,27+/m1/s1
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3.14n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]PDBu from protein kinase C delta C1b domain mutant (T8G)


Citation and Details
More data for this
Ligand-Target Pair
Protein kinase C delta


(Mus musculus)
BDBM50099646
PNG
(5,6-dihydroxy-7-hydroxymethyl-3,11,11,14-tetrameth...)
Show SMILES C[C@@H]1C[C@@H]2[C@H]([C@@H]3C=C(CO)[C@@H](O)[C@]4(O)[C@@H](OC(=O)c5ccccc5)C(C)=CC14C3=O)C2(C)C
Show InChI InChI=1S/C27H32O6/c1-14-12-26-15(2)10-19-20(25(19,3)4)18(22(26)30)11-17(13-28)21(29)27(26,32)23(14)33-24(31)16-8-6-5-7-9-16/h5-9,11-12,15,18-21,23,28-29,32H,10,13H2,1-4H3/t15-,18+,19-,20?,21-,23+,26?,27+/m1/s1
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10.8n/an/an/an/an/an/an/an/a



Georgetown University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from protein kinase C delta C1b domain mutant (P11G)


Citation and Details
More data for this
Ligand-Target Pair