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Compile Data Set for Download or QSAR

Found 39 hits with Last Name = 'ashendel' and Initial = 'cl'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Protein kinase C zeta type


(Rattus norvegicus)		BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C

Bioorg Med Chem Lett 9: 2279-82 (1999)


BindingDB Entry DOI: 10.7270/Q2MW2K90
More data for this
Ligand-Target Pair
Protein kinase C zeta type


(Rattus norvegicus)		BDBM50217039
PNG
(CHEMBL420938)
Show SMILES OCc1csc(c1)-c1ccc(s1)-c1ccc(C=O)s1
Show InChI InChI=1S/C14H10O2S3/c15-6-9-5-14(17-8-9)13-4-3-12(19-13)11-2-1-10(7-16)18-11/h1-5,7-8,15H,6H2
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n/an/a 300n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C

Bioorg Med Chem Lett 9: 2279-82 (1999)


BindingDB Entry DOI: 10.7270/Q2MW2K90
More data for this
Ligand-Target Pair
Protein kinase C zeta type


(Rattus norvegicus)		BDBM50217036
PNG
(CHEMBL74983)
Show SMILES O=Cc1csc(c1)-c1ccc(s1)-c1ccc(C=O)s1
Show InChI InChI=1S/C14H8O2S3/c15-6-9-5-14(17-8-9)13-4-3-12(19-13)11-2-1-10(7-16)18-11/h1-8H
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n/an/a 700n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C

Bioorg Med Chem Lett 9: 2279-82 (1999)


BindingDB Entry DOI: 10.7270/Q2MW2K90
More data for this
Ligand-Target Pair
Protein kinase C zeta type


(Rattus norvegicus)		BDBM50217032
PNG
(CHEMBL76100)
Show SMILES OCc1csc(c1)-c1ccc(s1)-c1cccs1
Show InChI InChI=1S/C13H10OS3/c14-7-9-6-13(16-8-9)12-4-3-11(17-12)10-2-1-5-15-10/h1-6,8,14H,7H2
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n/an/a 3.00E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C

Bioorg Med Chem Lett 9: 2279-82 (1999)


BindingDB Entry DOI: 10.7270/Q2MW2K90
More data for this
Ligand-Target Pair
Protein kinase C zeta type


(Rattus norvegicus)		BDBM50230709
PNG
(CHEMBL295954)
Show SMILES [Br-].CCCCCCCCCCCCCCCC1(C[N+](C)(C)CCO1)OC
Show InChI InChI=1S/C22H46NO2.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(24-4)21-23(2,3)19-20-25-22;/h5-21H2,1-4H3;1H/q+1;/p-1
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n/an/a 3.90E+3n/an/an/an/an/an/a



Louisiana State University

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C (PKC) purified from rat brain

J Med Chem 36: 177-8 (1993)


BindingDB Entry DOI: 10.7270/Q2Z321VQ
More data for this
Ligand-Target Pair
Protein kinase C zeta type


(Rattus norvegicus)		BDBM50217040
PNG
(CHEMBL73495)
Show SMILES O=Cc1csc(c1)-c1ccc(s1)-c1cccs1
Show InChI InChI=1S/C13H8OS3/c14-7-9-6-13(16-8-9)12-4-3-11(17-12)10-2-1-5-15-10/h1-8H
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n/an/a 5.00E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C

Bioorg Med Chem Lett 9: 2279-82 (1999)


BindingDB Entry DOI: 10.7270/Q2MW2K90
More data for this
Ligand-Target Pair
Protein kinase C zeta type


(Rattus norvegicus)		BDBM50230703
PNG
(CHEMBL296591)
Show SMILES [Br-].CCCCCCCCCCCCCCCCCCC1(O)C[N+](C)(C)CCO1
Show InChI InChI=1S/C24H50NO2.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(26)23-25(2,3)21-22-27-24;/h26H,4-23H2,1-3H3;1H/q+1;/p-1
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n/an/a 6.50E+3n/an/an/an/an/an/a



Louisiana State University

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C (PKC) purified from rat brain

J Med Chem 36: 177-8 (1993)


BindingDB Entry DOI: 10.7270/Q2Z321VQ
More data for this
Ligand-Target Pair
Protein kinase C zeta type


(Rattus norvegicus)		BDBM50230702
PNG
(CHEMBL48695)
Show SMILES [Br-].CCCCCCCCCCCCCCCC(=O)C[N+](C)(C)CCCO
Show InChI InChI=1S/C22H46NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-22(25)21-23(2,3)19-17-20-24/h24H,4-21H2,1-3H3/q+1
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n/an/a 6.90E+3n/an/an/an/an/an/a



Louisiana State University

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C (PKC) purified from rat brain

J Med Chem 36: 177-8 (1993)


BindingDB Entry DOI: 10.7270/Q2Z321VQ
More data for this
Ligand-Target Pair
Protein kinase C zeta type


(Rattus norvegicus)		BDBM50230712
PNG
(CHEMBL52232)
Show SMILES [Br-].CCCCCCCCCCCCCCCCCC1(O)C[N+](C)(C)CCO1
Show InChI InChI=1S/C23H48NO2.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(25)22-24(2,3)20-21-26-23;/h25H,4-22H2,1-3H3;1H/q+1;/p-1
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n/an/a 7.10E+3n/an/an/an/an/an/a



Louisiana State University

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C (PKC) purified from rat brain

J Med Chem 36: 177-8 (1993)


BindingDB Entry DOI: 10.7270/Q2Z321VQ
More data for this
Ligand-Target Pair
Protein kinase C zeta type


(Rattus norvegicus)		BDBM50230714
PNG
(CHEMBL48551)
Show SMILES [Br-].CCCCCCCCCCCCCCCC1(O)C[N+](C)(C)CCO1
Show InChI InChI=1S/C21H44NO2.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)20-22(2,3)18-19-24-21;/h23H,4-20H2,1-3H3;1H/q+1;/p-1
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n/an/a 7.30E+3n/an/an/an/an/an/a



Louisiana State University

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C (PKC) purified from rat brain

J Med Chem 36: 177-8 (1993)


BindingDB Entry DOI: 10.7270/Q2Z321VQ
More data for this
Ligand-Target Pair
Protein kinase C zeta type


(Rattus norvegicus)		BDBM50230705
PNG
(CHEMBL49951)
Show SMILES [Br-].CCCCCCCCCCCCCCCCC1(O)C[N+](C)(C)CCO1
Show InChI InChI=1S/C22H46NO2.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(24)21-23(2,3)19-20-25-22;/h24H,4-21H2,1-3H3;1H/q+1;/p-1
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n/an/a 7.60E+3n/an/an/an/an/an/a



Louisiana State University

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C (PKC) purified from rat brain

J Med Chem 36: 177-8 (1993)


BindingDB Entry DOI: 10.7270/Q2Z321VQ
More data for this
Ligand-Target Pair
Protein kinase C zeta type


(Rattus norvegicus)		BDBM50230711
PNG
(CHEMBL441041)
Show SMILES [Br-].CCCCCCCCCCCCCCC1(O)C[N+](C)(C)CCO1
Show InChI InChI=1S/C20H42NO2.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20(22)19-21(2,3)17-18-23-20;/h22H,4-19H2,1-3H3;1H/q+1;/p-1
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n/an/a 7.60E+3n/an/an/an/an/an/a



Louisiana State University

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C (PKC) purified from rat brain

J Med Chem 36: 177-8 (1993)


BindingDB Entry DOI: 10.7270/Q2Z321VQ
More data for this
Ligand-Target Pair
Protein kinase C zeta type


(Rattus norvegicus)		BDBM50478491
PNG
(GOB C)
Show SMILES OC[C@H]1O[C@@H](Oc2ccc(\C=C\c3cc(O)cc(O)c3)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C20H22O8/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-5-3-11(4-6-15)1-2-12-7-13(22)9-14(23)8-12/h1-9,16-26H,10H2/b2-1+/t16-,17-,18+,19-,20-/m1/s1
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n/an/a 7.68E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of rat brain PKC

J Nat Prod 56: 1805-10 (1993)


Article DOI: 10.1021/np50100a021
BindingDB Entry DOI: 10.7270/Q2TQ64C5
More data for this
Ligand-Target Pair
Protein kinase C zeta type


(Rattus norvegicus)		BDBM50230704
PNG
(CHEMBL416830)
Show SMILES [Br-].CCCCCCCCCCCCCC1(O)C[N+](C)(C)CCO1
Show InChI InChI=1S/C19H40NO2.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-19(21)18-20(2,3)16-17-22-19;/h21H,4-18H2,1-3H3;1H/q+1;/p-1
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n/an/a 1.20E+4n/an/an/an/an/an/a



Louisiana State University

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C (PKC) purified from rat brain

J Med Chem 36: 177-8 (1993)


BindingDB Entry DOI: 10.7270/Q2Z321VQ
More data for this
Ligand-Target Pair
Protein kinase C zeta type


(Rattus norvegicus)		BDBM50230713
PNG
(CHEMBL301124)
Show SMILES [Br-].CCCCCCCCCCCCC1(O)C[N+](C)(C)CCO1
Show InChI InChI=1S/C18H38NO2.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-18(20)17-19(2,3)15-16-21-18;/h20H,4-17H2,1-3H3;1H/q+1;/p-1
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n/an/a 1.30E+4n/an/an/an/an/an/a



Louisiana State University

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C (PKC) purified from rat brain

J Med Chem 36: 177-8 (1993)


BindingDB Entry DOI: 10.7270/Q2Z321VQ
More data for this
Ligand-Target Pair
Protein kinase C zeta type


(Rattus norvegicus)		BDBM50478490
PNG
(CHEMBL476674)
Show SMILES OC[C@H]1O[C@@H](Oc2ccc(\C=C/c3cc(O)cc(O)c3)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C20H22O8/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-5-3-11(4-6-15)1-2-12-7-13(22)9-14(23)8-12/h1-9,16-26H,10H2/b2-1-/t16-,17-,18+,19-,20-/m1/s1
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n/an/a 1.53E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of rat brain PKC

J Nat Prod 56: 1805-10 (1993)


Article DOI: 10.1021/np50100a021
BindingDB Entry DOI: 10.7270/Q2TQ64C5
More data for this
Ligand-Target Pair
Protein kinase C zeta type


(Rattus norvegicus)		BDBM50230701
PNG
(CHEBI:73067 | Palmitoyl-carnitine)
Show SMILES CCCCCCCCCCCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C
Show InChI InChI=1S/C23H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)28-21(19-22(25)26)20-24(2,3)4/h21H,5-20H2,1-4H3
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n/an/a 1.58E+4n/an/an/an/an/an/a



Louisiana State University

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C (PKC) purified from rat brain

J Med Chem 36: 177-8 (1993)


BindingDB Entry DOI: 10.7270/Q2Z321VQ
More data for this
Ligand-Target Pair
Protein kinase C zeta type


(Rattus norvegicus)		BDBM50217033
PNG
(CHEMBL308288)
Show SMILES OCc1ccc(s1)-c1ccc(s1)-c1cc(C=O)cs1
Show InChI InChI=1S/C14H10O2S3/c15-6-9-5-14(17-8-9)13-4-3-12(19-13)11-2-1-10(7-16)18-11/h1-6,8,16H,7H2
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n/an/a 3.00E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C

Bioorg Med Chem Lett 9: 2279-82 (1999)


BindingDB Entry DOI: 10.7270/Q2MW2K90
More data for this
Ligand-Target Pair
Protein kinase C zeta type


(Rattus norvegicus)		BDBM50046145
PNG
(2-[6-hydroxy-4,4-dimethyl-6-pentadecyl-(2R,6S)-1,4...)
Show SMILES CCCCCCCCCCCCCCC[C@@]1(O)C[N+](C)(C)C[C@@H](CC([O-])=O)O1
Show InChI InChI=1S/C23H45NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)20-24(2,3)19-21(28-23)18-22(25)26/h21,27H,4-20H2,1-3H3/t21-,23+/m1/s1
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n/an/a 4.96E+4n/an/an/an/an/an/a



Louisiana State University

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C (PKC) purified from rat brain

J Med Chem 36: 177-8 (1993)


BindingDB Entry DOI: 10.7270/Q2Z321VQ
More data for this
Ligand-Target Pair
Protein kinase C zeta type


(Rattus norvegicus)		BDBM79181
PNG
(10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoro...)
Show SMILES CN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
Show InChI InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3
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n/an/a 7.36E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of rat brain PKC

J Nat Prod 56: 1805-10 (1993)


Article DOI: 10.1021/np50100a021
BindingDB Entry DOI: 10.7270/Q2TQ64C5
More data for this
Ligand-Target Pair
Carnitine O-palmitoyltransferase 1, liver isoform


(Rattus norvegicus)		BDBM50284163
PNG
((S)-4-Hexadecyl-2,6,6-trimethyl-2-oxo-2lambda*5*-[...)
Show SMILES CCCCCCCCCCCCCCCCC1C[N+](C)(C)CCO[P@](C)(=O)O1
Show InChI InChI=1S/C23H49NO3P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-22-24(2,3)20-21-26-28(4,25)27-23/h23H,5-22H2,1-4H3/q+1/t23?,28-/m0/s1
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n/an/a 1.28E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency of the compound against Carnitine Palmitoyltransferase (CPT-II)

Bioorg Med Chem Lett 4: 883-886 (1994)


Article DOI: 10.1016/S0960-894X(01)80256-0
BindingDB Entry DOI: 10.7270/Q2RX9C15
More data for this
Ligand-Target Pair
Protein kinase C zeta type


(Rattus norvegicus)		BDBM50131698
PNG
((Z)-resveratrol | 5-[(1Z)-2-(4-hydroxyphenyl)ethen...)
Show SMILES Oc1ccc(\C=C/c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1-
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n/an/a 1.31E+5n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of rat brain PKC

J Nat Prod 56: 1805-10 (1993)


Article DOI: 10.1021/np50100a021
BindingDB Entry DOI: 10.7270/Q2TQ64C5
More data for this
Ligand-Target Pair
Protein kinase C zeta type


(Rattus norvegicus)		BDBM50230710
PNG
(CHEMBL49275)
Show SMILES [Br-].CCCCCCCCCCC1(O)C[N+](C)(C)CCO1
Show InChI InChI=1S/C16H34NO2.BrH/c1-4-5-6-7-8-9-10-11-12-16(18)15-17(2,3)13-14-19-16;/h18H,4-15H2,1-3H3;1H/q+1;/p-1
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n/an/a 1.70E+5n/an/an/an/an/an/a



Louisiana State University

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C (PKC) purified from rat brain

J Med Chem 36: 177-8 (1993)


BindingDB Entry DOI: 10.7270/Q2Z321VQ
More data for this
Ligand-Target Pair
Protein kinase C zeta type


(Rattus norvegicus)		BDBM23926
PNG
((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...)
Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
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n/an/a 1.75E+5n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of rat brain PKC

J Nat Prod 56: 1805-10 (1993)


Article DOI: 10.1021/np50100a021
BindingDB Entry DOI: 10.7270/Q2TQ64C5
More data for this
Ligand-Target Pair
Carnitine O-palmitoyltransferase 2, mitochondrial


(Homo sapiens (Human))		BDBM50284164
PNG
((S)-2-Hexadecyl-2-hydroxy-4,4-dimethyl-morpholin-4...)
Show SMILES CCCCCCCCCCCCCCCC[C@@]1(O)C[N+](C)(C)CCO1
Show InChI InChI=1S/C22H46NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(24)21-23(2,3)19-20-25-22/h24H,4-21H2,1-3H3/q+1/t22-/m0/s1
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n/an/a 2.35E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency of the compound against Carnitine Palmitoyltransferase (CPT-II); Range = 32-235 microM

Bioorg Med Chem Lett 4: 883-886 (1994)


Article DOI: 10.1016/S0960-894X(01)80256-0
BindingDB Entry DOI: 10.7270/Q2RX9C15
More data for this
Ligand-Target Pair
Protein kinase C zeta type


(Rattus norvegicus)		BDBM50217037
PNG
(CHEMBL72370)
Show SMILES OCc1csc(c1)-c1ccc(s1)-c1ccc(CO)s1
Show InChI InChI=1S/C14H12O2S3/c15-6-9-5-14(17-8-9)13-4-3-12(19-13)11-2-1-10(7-16)18-11/h1-5,8,15-16H,6-7H2
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n/an/a 3.00E+5n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C

Bioorg Med Chem Lett 9: 2279-82 (1999)


BindingDB Entry DOI: 10.7270/Q2MW2K90
More data for this
Ligand-Target Pair
Carnitine O-palmitoyltransferase 1, liver isoform


(Rattus norvegicus)		BDBM50284163
PNG
((S)-4-Hexadecyl-2,6,6-trimethyl-2-oxo-2lambda*5*-[...)
Show SMILES CCCCCCCCCCCCCCCCC1C[N+](C)(C)CCO[P@](C)(=O)O1
Show InChI InChI=1S/C23H49NO3P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-22-24(2,3)20-21-26-28(4,25)27-23/h23H,5-22H2,1-4H3/q+1/t23?,28-/m0/s1
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n/an/a 3.05E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency of the compound against Carnitine Palmitoyltransferase (CPT-II)

Bioorg Med Chem Lett 4: 883-886 (1994)


Article DOI: 10.1016/S0960-894X(01)80256-0
BindingDB Entry DOI: 10.7270/Q2RX9C15
More data for this
Ligand-Target Pair
Peroxisomal carnitine O-octanoyltransferase


(Homo sapiens (Human))		BDBM50284163
PNG
((S)-4-Hexadecyl-2,6,6-trimethyl-2-oxo-2lambda*5*-[...)
Show SMILES CCCCCCCCCCCCCCCCC1C[N+](C)(C)CCO[P@](C)(=O)O1
Show InChI InChI=1S/C23H49NO3P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-22-24(2,3)20-21-26-28(4,25)27-23/h23H,5-22H2,1-4H3/q+1/t23?,28-/m0/s1
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n/an/a 4.75E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency of the compound against carnitine octanoyltransferase (COT)

Bioorg Med Chem Lett 4: 883-886 (1994)


Article DOI: 10.1016/S0960-894X(01)80256-0
BindingDB Entry DOI: 10.7270/Q2RX9C15
More data for this
Ligand-Target Pair
Protein kinase C zeta type


(Rattus norvegicus)		BDBM50217024
PNG
(CHEMBL309186)
Show SMILES O=Cc1csc(c1)-c1cccs1
Show InChI InChI=1S/C9H6OS2/c10-5-7-4-9(12-6-7)8-2-1-3-11-8/h1-6H
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n/an/a 5.00E+5n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C

Bioorg Med Chem Lett 9: 2279-82 (1999)


BindingDB Entry DOI: 10.7270/Q2MW2K90
More data for this
Ligand-Target Pair
Protein kinase C zeta type


(Rattus norvegicus)		BDBM79181
PNG
(10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoro...)
Show SMILES CN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1
Show InChI InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3
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n/an/a 5.00E+5n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C

Bioorg Med Chem Lett 9: 2279-82 (1999)


BindingDB Entry DOI: 10.7270/Q2MW2K90
More data for this
Ligand-Target Pair
Protein kinase C zeta type


(Rattus norvegicus)		BDBM60919
PNG
((2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[3-[(E)-2-(4-...)
Show SMILES OC[C@H]1O[C@@H](Oc2cc(O)cc(\C=C\c3ccc(O)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C20H22O8/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11/h1-9,16-26H,10H2/b2-1+/t16-,17-,18+,19-,20-/m1/s1
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n/an/a 5.12E+5n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of rat brain PKC

J Nat Prod 56: 1805-10 (1993)


Article DOI: 10.1021/np50100a021
BindingDB Entry DOI: 10.7270/Q2TQ64C5
More data for this
Ligand-Target Pair
Protein kinase C zeta type


(Rattus norvegicus)		BDBM50478492
PNG
(CHEBI:76155 | Z-PICEID)
Show SMILES OC[C@H]1O[C@@H](Oc2cc(O)cc(\C=C/c3ccc(O)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C20H22O8/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-8-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11/h1-9,16-26H,10H2/b2-1-/t16-,17-,18+,19-,20-/m1/s1
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n/an/a 5.12E+5n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of rat brain PKC

J Nat Prod 56: 1805-10 (1993)


Article DOI: 10.1021/np50100a021
BindingDB Entry DOI: 10.7270/Q2TQ64C5
More data for this
Ligand-Target Pair
Peroxisomal carnitine O-octanoyltransferase


(Homo sapiens (Human))		BDBM50284163
PNG
((S)-4-Hexadecyl-2,6,6-trimethyl-2-oxo-2lambda*5*-[...)
Show SMILES CCCCCCCCCCCCCCCCC1C[N+](C)(C)CCO[P@](C)(=O)O1
Show InChI InChI=1S/C23H49NO3P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-22-24(2,3)20-21-26-28(4,25)27-23/h23H,5-22H2,1-4H3/q+1/t23?,28-/m0/s1
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n/an/a 9.12E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency of the compound against carnitine octanoyltransferase (COT)

Bioorg Med Chem Lett 4: 883-886 (1994)


Article DOI: 10.1016/S0960-894X(01)80256-0
BindingDB Entry DOI: 10.7270/Q2RX9C15
More data for this
Ligand-Target Pair
Protein kinase C zeta type


(Rattus norvegicus)		BDBM50217041
PNG
(CHEMBL73197)
Show SMILES OCc1csc(c1)-c1ccc(CO)s1
Show InChI InChI=1S/C10H10O2S2/c11-4-7-3-10(13-6-7)9-2-1-8(5-12)14-9/h1-3,6,11-12H,4-5H2
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n/an/a>1.00E+6n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C

Bioorg Med Chem Lett 9: 2279-82 (1999)


BindingDB Entry DOI: 10.7270/Q2MW2K90
More data for this
Ligand-Target Pair
Protein kinase C zeta type


(Rattus norvegicus)		BDBM50217034
PNG
(CHEMBL310913)
Show SMILES OCc1csc(c1)-c1cccs1
Show InChI InChI=1S/C9H8OS2/c10-5-7-4-9(12-6-7)8-2-1-3-11-8/h1-4,6,10H,5H2
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n/an/a>1.00E+6n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C

Bioorg Med Chem Lett 9: 2279-82 (1999)


BindingDB Entry DOI: 10.7270/Q2MW2K90
More data for this
Ligand-Target Pair
Protein kinase C zeta type


(Rattus norvegicus)		BDBM50217042
PNG
(CHEMBL75706)
Show SMILES O=Cc1csc(c1)-c1ccc(C=O)s1
Show InChI InChI=1S/C10H6O2S2/c11-4-7-3-10(13-6-7)9-2-1-8(5-12)14-9/h1-6H
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n/an/a 1.00E+6n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C

Bioorg Med Chem Lett 9: 2279-82 (1999)


BindingDB Entry DOI: 10.7270/Q2MW2K90
More data for this
Ligand-Target Pair
Protein kinase C zeta type


(Rattus norvegicus)		BDBM50217038
PNG
(CHEMBL76469)
Show SMILES OCc1ccsc1
Show InChI InChI=1S/C5H6OS/c6-3-5-1-2-7-4-5/h1-2,4,6H,3H2
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n/an/a>4.00E+6n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C

Bioorg Med Chem Lett 9: 2279-82 (1999)


BindingDB Entry DOI: 10.7270/Q2MW2K90
More data for this
Ligand-Target Pair
Protein kinase C zeta type


(Rattus norvegicus)		BDBM50217035
PNG
(CHEBI:87611 | CHEMBL72211 | Thiophene-3-Carbaldehy...)
Show SMILES O=Cc1ccsc1
Show InChI InChI=1S/C5H4OS/c6-3-5-1-2-7-4-5/h1-4H
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n/an/a>4.00E+6n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of protein kinase C

Bioorg Med Chem Lett 9: 2279-82 (1999)


BindingDB Entry DOI: 10.7270/Q2MW2K90
More data for this
Ligand-Target Pair
Peroxisomal carnitine O-octanoyltransferase


(Homo sapiens (Human))		BDBM50284164
PNG
((S)-2-Hexadecyl-2-hydroxy-4,4-dimethyl-morpholin-4...)
Show SMILES CCCCCCCCCCCCCCCC[C@@]1(O)C[N+](C)(C)CCO1
Show InChI InChI=1S/C22H46NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(24)21-23(2,3)19-20-25-22/h24H,4-21H2,1-3H3/q+1/t22-/m0/s1
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n/an/a 4.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory potency of the compound against carnitine octanoyltransferase (COT); Range = 1300-4000 microM

Bioorg Med Chem Lett 4: 883-886 (1994)


Article DOI: 10.1016/S0960-894X(01)80256-0
BindingDB Entry DOI: 10.7270/Q2RX9C15
More data for this
Ligand-Target Pair