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BDBM50052034 18-methylaminomethyl-(18S)-17-oxa-4,14,21-triazahexacyclo[19.6.1.17,14.02,6.08,13.022,27]nonacosa-1(28),2(6),7(29),8(13),9,11,22(27),23,25-nonaene-3,5-dione::CHEMBL311543

SMILES: CNC[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21

InChI Key: InChIKey=ZEYTZKVCOZMUKL-KRWDZBQOSA-N

Data: 8 IC50

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 = 50052034   
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))
BDBM50052034
PNG
(18-methylaminomethyl-(18S)-17-oxa-4,14,21-triazahe...)
Show SMILES CNC[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |t:9|
Show InChI InChI=1S/C27H26N4O3/c1-28-14-17-10-11-30-15-20(18-6-2-4-8-22(18)30)24-25(27(33)29-26(24)32)21-16-31(12-13-34-17)23-9-5-3-7-19(21)23/h2-9,15-17,28H,10-14H2,1H3,(H,29,32,33)/t17-/m0/s1
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n/an/a 240n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C alpha


J Med Chem 39: 2664-71 (1996)


Article DOI: 10.1021/jm950588y
BindingDB Entry DOI: 10.7270/Q25H7FBV
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50052034
PNG
(18-methylaminomethyl-(18S)-17-oxa-4,14,21-triazahe...)
Show SMILES CNC[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |t:9|
Show InChI InChI=1S/C27H26N4O3/c1-28-14-17-10-11-30-15-20(18-6-2-4-8-22(18)30)24-25(27(33)29-26(24)32)21-16-31(12-13-34-17)23-9-5-3-7-19(21)23/h2-9,15-17,28H,10-14H2,1H3,(H,29,32,33)/t17-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C beta 1


J Med Chem 39: 2664-71 (1996)


Article DOI: 10.1021/jm950588y
BindingDB Entry DOI: 10.7270/Q25H7FBV
More data for this
Ligand-Target Pair
Protein kinase C, eta


(Homo sapiens (Human))
BDBM50052034
PNG
(18-methylaminomethyl-(18S)-17-oxa-4,14,21-triazahe...)
Show SMILES CNC[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |t:9|
Show InChI InChI=1S/C27H26N4O3/c1-28-14-17-10-11-30-15-20(18-6-2-4-8-22(18)30)24-25(27(33)29-26(24)32)21-16-31(12-13-34-17)23-9-5-3-7-19(21)23/h2-9,15-17,28H,10-14H2,1H3,(H,29,32,33)/t17-/m0/s1
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n/an/a 31n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C eta


J Med Chem 39: 2664-71 (1996)


Article DOI: 10.1021/jm950588y
BindingDB Entry DOI: 10.7270/Q25H7FBV
More data for this
Ligand-Target Pair
Protein kinase C (PKC)


(Homo sapiens (Human))
BDBM50052034
PNG
(18-methylaminomethyl-(18S)-17-oxa-4,14,21-triazahe...)
Show SMILES CNC[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |t:9|
Show InChI InChI=1S/C27H26N4O3/c1-28-14-17-10-11-30-15-20(18-6-2-4-8-22(18)30)24-25(27(33)29-26(24)32)21-16-31(12-13-34-17)23-9-5-3-7-19(21)23/h2-9,15-17,28H,10-14H2,1H3,(H,29,32,33)/t17-/m0/s1
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n/an/a 2.20E+4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C zeta


J Med Chem 39: 2664-71 (1996)


Article DOI: 10.1021/jm950588y
BindingDB Entry DOI: 10.7270/Q25H7FBV
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50052034
PNG
(18-methylaminomethyl-(18S)-17-oxa-4,14,21-triazahe...)
Show SMILES CNC[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |t:9|
Show InChI InChI=1S/C27H26N4O3/c1-28-14-17-10-11-30-15-20(18-6-2-4-8-22(18)30)24-25(27(33)29-26(24)32)21-16-31(12-13-34-17)23-9-5-3-7-19(21)23/h2-9,15-17,28H,10-14H2,1H3,(H,29,32,33)/t17-/m0/s1
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n/an/a 170n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C delta


J Med Chem 39: 2664-71 (1996)


Article DOI: 10.1021/jm950588y
BindingDB Entry DOI: 10.7270/Q25H7FBV
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50052034
PNG
(18-methylaminomethyl-(18S)-17-oxa-4,14,21-triazahe...)
Show SMILES CNC[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |t:9|
Show InChI InChI=1S/C27H26N4O3/c1-28-14-17-10-11-30-15-20(18-6-2-4-8-22(18)30)24-25(27(33)29-26(24)32)21-16-31(12-13-34-17)23-9-5-3-7-19(21)23/h2-9,15-17,28H,10-14H2,1H3,(H,29,32,33)/t17-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C beta 2


J Med Chem 39: 2664-71 (1996)


Article DOI: 10.1021/jm950588y
BindingDB Entry DOI: 10.7270/Q25H7FBV
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM50052034
PNG
(18-methylaminomethyl-(18S)-17-oxa-4,14,21-triazahe...)
Show SMILES CNC[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |t:9|
Show InChI InChI=1S/C27H26N4O3/c1-28-14-17-10-11-30-15-20(18-6-2-4-8-22(18)30)24-25(27(33)29-26(24)32)21-16-31(12-13-34-17)23-9-5-3-7-19(21)23/h2-9,15-17,28H,10-14H2,1H3,(H,29,32,33)/t17-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C epsilon


J Med Chem 39: 2664-71 (1996)


Article DOI: 10.1021/jm950588y
BindingDB Entry DOI: 10.7270/Q25H7FBV
More data for this
Ligand-Target Pair
Protein kinase C, gamma


(Homo sapiens (Human))
BDBM50052034
PNG
(18-methylaminomethyl-(18S)-17-oxa-4,14,21-triazahe...)
Show SMILES CNC[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |t:9|
Show InChI InChI=1S/C27H26N4O3/c1-28-14-17-10-11-30-15-20(18-6-2-4-8-22(18)30)24-25(27(33)29-26(24)32)21-16-31(12-13-34-17)23-9-5-3-7-19(21)23/h2-9,15-17,28H,10-14H2,1H3,(H,29,32,33)/t17-/m0/s1
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PubMed
n/an/a 270n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Protein kinase C gamma


J Med Chem 39: 2664-71 (1996)


Article DOI: 10.1021/jm950588y
BindingDB Entry DOI: 10.7270/Q25H7FBV
More data for this
Ligand-Target Pair