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PubMed code 18558742

Compile data set for download or QSAR
Found 8 hits of Enzyme Inhibition Constant Data   
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


(Homo sapiens (Human))		BDBM50252375
PNG
(CHEMBL446072 | Spheciosterol sulfate C)
Show SMILES C[C@H](CCC(C)C(C)(C)C(C)=C)[C@H]1CC[C@@]2(C)[C@@H]3C[C@H](OS([O-])(=O)=O)[C@H]4[C@@H](O)[C@H](OS([O-])(=O)=O)[C@H](C[C@]4(C)C3=CC[C@]12C)OS([O-])(=O)=O |r,c:40|
Show InChI InChI=1S/C32H54O13S3/c1-18(2)29(5,6)20(4)11-10-19(3)21-12-14-32(9)23-16-24(43-46(34,35)36)26-27(33)28(45-48(40,41)42)25(44-47(37,38)39)17-30(26,7)22(23)13-15-31(21,32)8/h13,19-21,23-28,33H,1,10-12,14-17H2,2-9H3,(H,34,35,36)(H,37,38,39)(H,40,41,42)/p-3/t19-,20?,21-,23-,24+,25+,26+,27-,28-,30-,31-,32+/m1/s1
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n/an/a 110n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of PKCzeta (unknown origin) by TR-FRET based lanthascreen assay

J Nat Prod 71: 1213-7 (2008)


Article DOI: 10.1021/np8001628
BindingDB Entry DOI: 10.7270/Q25H7G17
More data for this
Ligand-Target Pair
Protein kinase C zeta type


(Homo sapiens (Human))		BDBM50252374
PNG
(CHEMBL475118 | Spheciosterol sulfate B)
Show SMILES CC(C)C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C[C@H](OS([O-])(=O)=O)[C@H]4[C@@H](O)[C@H](OS([O-])(=O)=O)[C@H](C[C@]4(C)C3=CC[C@]12C)OS([O-])(=O)=O)C(C)=C |r,c:36|
Show InChI InChI=1S/C31H52O13S3/c1-17(2)20(18(3)4)10-9-19(5)21-11-13-31(8)23-15-24(42-45(33,34)35)26-27(32)28(44-47(39,40)41)25(43-46(36,37)38)16-29(26,6)22(23)12-14-30(21,31)7/h12,18-21,23-28,32H,1,9-11,13-16H2,2-8H3,(H,33,34,35)(H,36,37,38)(H,39,40,41)/p-3/t19-,20?,21-,23-,24+,25+,26+,27-,28-,29-,30-,31+/m1/s1
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n/an/a 530n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of PKCzeta (unknown origin) by TR-FRET based lanthascreen assay

J Nat Prod 71: 1213-7 (2008)


Article DOI: 10.1021/np8001628
BindingDB Entry DOI: 10.7270/Q25H7G17
More data for this
Ligand-Target Pair
Protein kinase C zeta type


(Homo sapiens (Human))		BDBM50252376
PNG
(CHEMBL455091 | Topsentiasterol sulfate E)
Show SMILES CC(C)C1(CC[C@@H](C)[C@H]2CC[C@@]3(C)[C@@H]4C[C@H](OS([O-])(=O)=O)[C@H]5[C@@H](O)[C@H](OS([O-])(=O)=O)[C@H](C[C@]5(C)C4=CC[C@]23C)OS([O-])(=O)=O)CC1C |r,c:36|
Show InChI InChI=1S/C31H52O13S3/c1-17(2)31(15-19(31)4)13-8-18(3)20-9-11-30(7)22-14-23(42-45(33,34)35)25-26(32)27(44-47(39,40)41)24(43-46(36,37)38)16-28(25,5)21(22)10-12-29(20,30)6/h10,17-20,22-27,32H,8-9,11-16H2,1-7H3,(H,33,34,35)(H,36,37,38)(H,39,40,41)/p-3/t18-,19?,20-,22-,23+,24+,25+,26-,27-,28-,29-,30+,31?/m1/s1
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n/an/a 1.21E+3n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of PKCzeta (unknown origin) by TR-FRET based lanthascreen assay

J Nat Prod 71: 1213-7 (2008)


Article DOI: 10.1021/np8001628
BindingDB Entry DOI: 10.7270/Q25H7G17
More data for this
Ligand-Target Pair
Protein kinase C zeta type


(Homo sapiens (Human))		BDBM50252373
PNG
(CHEMBL447723 | Spheciosterol sulfate A)
Show SMILES CCC(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C[C@H](OS([O-])(=O)=O)[C@H]4[C@@H](O)[C@H](OS([O-])(=O)=O)[C@H](C[C@]4(C)C3=CC[C@]12C)OS([O-])(=O)=O)C(C)=C |r,c:35|
Show InChI InChI=1S/C30H50O13S3/c1-8-19(17(2)3)10-9-18(4)20-11-13-30(7)22-15-23(41-44(32,33)34)25-26(31)27(43-46(38,39)40)24(42-45(35,36)37)16-28(25,5)21(22)12-14-29(20,30)6/h12,18-20,22-27,31H,2,8-11,13-16H2,1,3-7H3,(H,32,33,34)(H,35,36,37)(H,38,39,40)/p-3/t18-,19?,20-,22-,23+,24+,25+,26-,27-,28-,29-,30+/m1/s1
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n/an/a 1.59E+3n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of PKCzeta (unknown origin) by TR-FRET based lanthascreen assay

J Nat Prod 71: 1213-7 (2008)


Article DOI: 10.1021/np8001628
BindingDB Entry DOI: 10.7270/Q25H7G17
More data for this
Ligand-Target Pair
Transcription factor p65


(Homo sapiens (Human))		BDBM50252373
PNG
(CHEMBL447723 | Spheciosterol sulfate A)
Show SMILES CCC(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C[C@H](OS([O-])(=O)=O)[C@H]4[C@@H](O)[C@H](OS([O-])(=O)=O)[C@H](C[C@]4(C)C3=CC[C@]12C)OS([O-])(=O)=O)C(C)=C |r,c:35|
Show InChI InChI=1S/C30H50O13S3/c1-8-19(17(2)3)10-9-18(4)20-11-13-30(7)22-15-23(41-44(32,33)34)25-26(31)27(43-46(38,39)40)24(42-45(35,36)37)16-28(25,5)21(22)12-14-29(20,30)6/h12,18-20,22-27,31H,2,8-11,13-16H2,1,3-7H3,(H,32,33,34)(H,35,36,37)(H,38,39,40)/p-3/t18-,19?,20-,22-,23+,24+,25+,26-,27-,28-,29-,30+/m1/s1
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n/an/an/an/a 1.20E+4n/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of IL1-induced NFkappaB P65 activation in human osteoarthritic primary chondrocytes preincubated 2 hrs before addition of IL1 by ELISA

J Nat Prod 71: 1213-7 (2008)


Article DOI: 10.1021/np8001628
BindingDB Entry DOI: 10.7270/Q25H7G17
More data for this
Ligand-Target Pair
Transcription factor p65


(Homo sapiens (Human))		BDBM50252374
PNG
(CHEMBL475118 | Spheciosterol sulfate B)
Show SMILES CC(C)C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C[C@H](OS([O-])(=O)=O)[C@H]4[C@@H](O)[C@H](OS([O-])(=O)=O)[C@H](C[C@]4(C)C3=CC[C@]12C)OS([O-])(=O)=O)C(C)=C |r,c:36|
Show InChI InChI=1S/C31H52O13S3/c1-17(2)20(18(3)4)10-9-19(5)21-11-13-31(8)23-15-24(42-45(33,34)35)26-27(32)28(44-47(39,40)41)25(43-46(36,37)38)16-29(26,6)22(23)12-14-30(21,31)7/h12,18-21,23-28,32H,1,9-11,13-16H2,2-8H3,(H,33,34,35)(H,36,37,38)(H,39,40,41)/p-3/t19-,20?,21-,23-,24+,25+,26+,27-,28-,29-,30-,31+/m1/s1
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n/an/an/an/a 1.20E+4n/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of IL1-induced NFkappaB P65 activation in human osteoarthritic primary chondrocytes preincubated 2 hrs before addition of IL1 by ELISA

J Nat Prod 71: 1213-7 (2008)


Article DOI: 10.1021/np8001628
BindingDB Entry DOI: 10.7270/Q25H7G17
More data for this
Ligand-Target Pair
Transcription factor p65


(Homo sapiens (Human))		BDBM50252375
PNG
(CHEMBL446072 | Spheciosterol sulfate C)
Show SMILES C[C@H](CCC(C)C(C)(C)C(C)=C)[C@H]1CC[C@@]2(C)[C@@H]3C[C@H](OS([O-])(=O)=O)[C@H]4[C@@H](O)[C@H](OS([O-])(=O)=O)[C@H](C[C@]4(C)C3=CC[C@]12C)OS([O-])(=O)=O |r,c:40|
Show InChI InChI=1S/C32H54O13S3/c1-18(2)29(5,6)20(4)11-10-19(3)21-12-14-32(9)23-16-24(43-46(34,35)36)26-27(33)28(45-48(40,41)42)25(44-47(37,38)39)17-30(26,7)22(23)13-15-31(21,32)8/h13,19-21,23-28,33H,1,10-12,14-17H2,2-9H3,(H,34,35,36)(H,37,38,39)(H,40,41,42)/p-3/t19-,20?,21-,23-,24+,25+,26+,27-,28-,30-,31-,32+/m1/s1
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n/an/an/an/a 1.20E+4n/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of IL1-induced NFkappaB P65 activation in human osteoarthritic primary chondrocytes preincubated 2 hrs before addition of IL1 by ELISA

J Nat Prod 71: 1213-7 (2008)


Article DOI: 10.1021/np8001628
BindingDB Entry DOI: 10.7270/Q25H7G17
More data for this
Ligand-Target Pair
Transcription factor p65


(Homo sapiens (Human))		BDBM50252376
PNG
(CHEMBL455091 | Topsentiasterol sulfate E)
Show SMILES CC(C)C1(CC[C@@H](C)[C@H]2CC[C@@]3(C)[C@@H]4C[C@H](OS([O-])(=O)=O)[C@H]5[C@@H](O)[C@H](OS([O-])(=O)=O)[C@H](C[C@]5(C)C4=CC[C@]23C)OS([O-])(=O)=O)CC1C |r,c:36|
Show InChI InChI=1S/C31H52O13S3/c1-17(2)31(15-19(31)4)13-8-18(3)20-9-11-30(7)22-14-23(42-45(33,34)35)25-26(32)27(44-47(39,40)41)24(43-46(36,37)38)16-28(25,5)21(22)10-12-29(20,30)6/h10,17-20,22-27,32H,8-9,11-16H2,1-7H3,(H,33,34,35)(H,36,37,38)(H,39,40,41)/p-3/t18-,19?,20-,22-,23+,24+,25+,26-,27-,28-,29-,30+,31?/m1/s1
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n/an/an/an/a 1.20E+4n/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of IL1-induced NFkappaB P65 activation in human osteoarthritic primary chondrocytes preincubated 2 hrs before addition of IL1 by ELISA

J Nat Prod 71: 1213-7 (2008)


Article DOI: 10.1021/np8001628
BindingDB Entry DOI: 10.7270/Q25H7G17
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%