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BDBM50052037 18-aminomethyl-(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::CHEMBL316239

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

InChI Key: InChIKey=JPLUPRIZLHXUPQ-INIZCTEOSA-N

Data: 9 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 9 hits for monomerid = 50052037   
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))
BDBM50052037
PNG
(18-aminomethyl-(18S)-17-oxa-4,14,21-triazahexacycl...)
Show SMILES NC[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |t:8|
Show InChI InChI=1S/C26H24N4O3/c27-13-16-9-10-29-14-19(17-5-1-3-7-21(17)29)23-24(26(32)28-25(23)31)20-15-30(11-12-33-16)22-8-4-2-6-18(20)22/h1-8,14-16H,9-13,27H2,(H,28,31,32)/t16-/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 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
Protein kinase C, eta


(Homo sapiens (Human))
BDBM50052037
PNG
(18-aminomethyl-(18S)-17-oxa-4,14,21-triazahexacycl...)
Show SMILES NC[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |t:8|
Show InChI InChI=1S/C26H24N4O3/c27-13-16-9-10-29-14-19(17-5-1-3-7-21(17)29)23-24(26(32)28-25(23)31)20-15-30(11-12-33-16)22-8-4-2-6-18(20)22/h1-8,14-16H,9-13,27H2,(H,28,31,32)/t16-/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 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
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50052037
PNG
(18-aminomethyl-(18S)-17-oxa-4,14,21-triazahexacycl...)
Show SMILES NC[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |t:8|
Show InChI InChI=1S/C26H24N4O3/c27-13-16-9-10-29-14-19(17-5-1-3-7-21(17)29)23-24(26(32)28-25(23)31)20-15-30(11-12-33-16)22-8-4-2-6-18(20)22/h1-8,14-16H,9-13,27H2,(H,28,31,32)/t16-/m0/s1
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n/an/a 33n/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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50052037
PNG
(18-aminomethyl-(18S)-17-oxa-4,14,21-triazahexacycl...)
Show SMILES NC[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |t:8|
Show InChI InChI=1S/C26H24N4O3/c27-13-16-9-10-29-14-19(17-5-1-3-7-21(17)29)23-24(26(32)28-25(23)31)20-15-30(11-12-33-16)22-8-4-2-6-18(20)22/h1-8,14-16H,9-13,27H2,(H,28,31,32)/t16-/m0/s1
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n/an/a 8.90E+4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of src kinase


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))
BDBM50052037
PNG
(18-aminomethyl-(18S)-17-oxa-4,14,21-triazahexacycl...)
Show SMILES NC[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |t:8|
Show InChI InChI=1S/C26H24N4O3/c27-13-16-9-10-29-14-19(17-5-1-3-7-21(17)29)23-24(26(32)28-25(23)31)20-15-30(11-12-33-16)22-8-4-2-6-18(20)22/h1-8,14-16H,9-13,27H2,(H,28,31,32)/t16-/m0/s1
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n/an/a 2.60E+3n/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
Protein kinase C (PKC)


(Homo sapiens (Human))
BDBM50052037
PNG
(18-aminomethyl-(18S)-17-oxa-4,14,21-triazahexacycl...)
Show SMILES NC[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |t:8|
Show InChI InChI=1S/C26H24N4O3/c27-13-16-9-10-29-14-19(17-5-1-3-7-21(17)29)23-24(26(32)28-25(23)31)20-15-30(11-12-33-16)22-8-4-2-6-18(20)22/h1-8,14-16H,9-13,27H2,(H,28,31,32)/t16-/m0/s1
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n/an/a 4.40E+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, epsilon


(Homo sapiens (Human))
BDBM50052037
PNG
(18-aminomethyl-(18S)-17-oxa-4,14,21-triazahexacycl...)
Show SMILES NC[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |t:8|
Show InChI InChI=1S/C26H24N4O3/c27-13-16-9-10-29-14-19(17-5-1-3-7-21(17)29)23-24(26(32)28-25(23)31)20-15-30(11-12-33-16)22-8-4-2-6-18(20)22/h1-8,14-16H,9-13,27H2,(H,28,31,32)/t16-/m0/s1
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n/an/a>5.00E+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
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50052037
PNG
(18-aminomethyl-(18S)-17-oxa-4,14,21-triazahexacycl...)
Show SMILES NC[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |t:8|
Show InChI InChI=1S/C26H24N4O3/c27-13-16-9-10-29-14-19(17-5-1-3-7-21(17)29)23-24(26(32)28-25(23)31)20-15-30(11-12-33-16)22-8-4-2-6-18(20)22/h1-8,14-16H,9-13,27H2,(H,28,31,32)/t16-/m0/s1
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n/an/a 48n/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, gamma


(Homo sapiens (Human))
BDBM50052037
PNG
(18-aminomethyl-(18S)-17-oxa-4,14,21-triazahexacycl...)
Show SMILES NC[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |t:8|
Show InChI InChI=1S/C26H24N4O3/c27-13-16-9-10-29-14-19(17-5-1-3-7-21(17)29)23-24(26(32)28-25(23)31)20-15-30(11-12-33-16)22-8-4-2-6-18(20)22/h1-8,14-16H,9-13,27H2,(H,28,31,32)/t16-/m0/s1
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n/an/a 2.10E+3n/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