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BDBM50052041 18-(4-methylhexahydro-1-pyrazinylmethyl)-(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::CHEMBL91959

SMILES: CN1CCN(C[C@@H]2CCn3cc(C4=C(C(=O)NC4=O)c4cn(CCO2)c2ccccc42)c2ccccc32)CC1

InChI Key: InChIKey=QKXPAKQCFJVAFI-NRFANRHFSA-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 = 50052041   
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))
BDBM50052041
PNG
(18-(4-methylhexahydro-1-pyrazinylmethyl)-(18S)-17-...)
Show SMILES CN1CCN(C[C@@H]2CCn3cc(C4=C(C(=O)NC4=O)c4cn(CCO2)c2ccccc42)c2ccccc32)CC1 |t:12|
Show InChI InChI=1S/C31H33N5O3/c1-33-12-14-34(15-13-33)18-21-10-11-35-19-24(22-6-2-4-8-26(22)35)28-29(31(38)32-30(28)37)25-20-36(16-17-39-21)27-9-5-3-7-23(25)27/h2-9,19-21H,10-18H2,1H3,(H,32,37,38)/t21-/m0/s1
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n/an/a 1.80E+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))
BDBM50052041
PNG
(18-(4-methylhexahydro-1-pyrazinylmethyl)-(18S)-17-...)
Show SMILES CN1CCN(C[C@@H]2CCn3cc(C4=C(C(=O)NC4=O)c4cn(CCO2)c2ccccc42)c2ccccc32)CC1 |t:12|
Show InChI InChI=1S/C31H33N5O3/c1-33-12-14-34(15-13-33)18-21-10-11-35-19-24(22-6-2-4-8-26(22)35)28-29(31(38)32-30(28)37)25-20-36(16-17-39-21)27-9-5-3-7-23(25)27/h2-9,19-21H,10-18H2,1H3,(H,32,37,38)/t21-/m0/s1
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n/an/a 2.00E+3n/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))
BDBM50052041
PNG
(18-(4-methylhexahydro-1-pyrazinylmethyl)-(18S)-17-...)
Show SMILES CN1CCN(C[C@@H]2CCn3cc(C4=C(C(=O)NC4=O)c4cn(CCO2)c2ccccc42)c2ccccc32)CC1 |t:12|
Show InChI InChI=1S/C31H33N5O3/c1-33-12-14-34(15-13-33)18-21-10-11-35-19-24(22-6-2-4-8-26(22)35)28-29(31(38)32-30(28)37)25-20-36(16-17-39-21)27-9-5-3-7-23(25)27/h2-9,19-21H,10-18H2,1H3,(H,32,37,38)/t21-/m0/s1
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n/an/a 30n/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 delta type


(Homo sapiens (Human))
BDBM50052041
PNG
(18-(4-methylhexahydro-1-pyrazinylmethyl)-(18S)-17-...)
Show SMILES CN1CCN(C[C@@H]2CCn3cc(C4=C(C(=O)NC4=O)c4cn(CCO2)c2ccccc42)c2ccccc32)CC1 |t:12|
Show InChI InChI=1S/C31H33N5O3/c1-33-12-14-34(15-13-33)18-21-10-11-35-19-24(22-6-2-4-8-26(22)35)28-29(31(38)32-30(28)37)25-20-36(16-17-39-21)27-9-5-3-7-23(25)27/h2-9,19-21H,10-18H2,1H3,(H,32,37,38)/t21-/m0/s1
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n/an/a 2.80E+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
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50052041
PNG
(18-(4-methylhexahydro-1-pyrazinylmethyl)-(18S)-17-...)
Show SMILES CN1CCN(C[C@@H]2CCn3cc(C4=C(C(=O)NC4=O)c4cn(CCO2)c2ccccc42)c2ccccc32)CC1 |t:12|
Show InChI InChI=1S/C31H33N5O3/c1-33-12-14-34(15-13-33)18-21-10-11-35-19-24(22-6-2-4-8-26(22)35)28-29(31(38)32-30(28)37)25-20-36(16-17-39-21)27-9-5-3-7-23(25)27/h2-9,19-21H,10-18H2,1H3,(H,32,37,38)/t21-/m0/s1
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n/an/a 24n/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, gamma


(Homo sapiens (Human))
BDBM50052041
PNG
(18-(4-methylhexahydro-1-pyrazinylmethyl)-(18S)-17-...)
Show SMILES CN1CCN(C[C@@H]2CCn3cc(C4=C(C(=O)NC4=O)c4cn(CCO2)c2ccccc42)c2ccccc32)CC1 |t:12|
Show InChI InChI=1S/C31H33N5O3/c1-33-12-14-34(15-13-33)18-21-10-11-35-19-24(22-6-2-4-8-26(22)35)28-29(31(38)32-30(28)37)25-20-36(16-17-39-21)27-9-5-3-7-23(25)27/h2-9,19-21H,10-18H2,1H3,(H,32,37,38)/t21-/m0/s1
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n/an/a 3.20E+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
Protein kinase C (PKC)


(Homo sapiens (Human))
BDBM50052041
PNG
(18-(4-methylhexahydro-1-pyrazinylmethyl)-(18S)-17-...)
Show SMILES CN1CCN(C[C@@H]2CCn3cc(C4=C(C(=O)NC4=O)c4cn(CCO2)c2ccccc42)c2ccccc32)CC1 |t:12|
Show InChI InChI=1S/C31H33N5O3/c1-33-12-14-34(15-13-33)18-21-10-11-35-19-24(22-6-2-4-8-26(22)35)28-29(31(38)32-30(28)37)25-20-36(16-17-39-21)27-9-5-3-7-23(25)27/h2-9,19-21H,10-18H2,1H3,(H,32,37,38)/t21-/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 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))
BDBM50052041
PNG
(18-(4-methylhexahydro-1-pyrazinylmethyl)-(18S)-17-...)
Show SMILES CN1CCN(C[C@@H]2CCn3cc(C4=C(C(=O)NC4=O)c4cn(CCO2)c2ccccc42)c2ccccc32)CC1 |t:12|
Show InChI InChI=1S/C31H33N5O3/c1-33-12-14-34(15-13-33)18-21-10-11-35-19-24(22-6-2-4-8-26(22)35)28-29(31(38)32-30(28)37)25-20-36(16-17-39-21)27-9-5-3-7-23(25)27/h2-9,19-21H,10-18H2,1H3,(H,32,37,38)/t21-/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