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Compile Data Set for Download or QSAR

Found 50 hits with Last Name = 'harper' and Initial = 'mk'   
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
Mitogen-activated protein kinase 1


(Homo sapiens (Human))		BDBM50059889
PNG
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)
Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
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 2.5n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of Mitogen-activated protein kinase (MAPK)phosphorylation by activated MEK-1

J Med Chem 45: 529-32 (2002)


BindingDB Entry DOI: 10.7270/Q2FQ9XCD
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))		BDBM50059889
PNG
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)
Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
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 2.5n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of MEK1 phosphorylation by activated human recombinant Raf

J Med Chem 45: 529-32 (2002)


BindingDB Entry DOI: 10.7270/Q2FQ9XCD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))		BDBM50108776
PNG
(4-(2-Amino-5-oxo-3,5-dihydro-imidazol-4-ylidene)-2...)
Show SMILES NC1=NC(C(=O)N1)=C1CCNC(=O)c2[nH]c(Br)cc12 |w:3.3,t:1|
Show InChI InChI=1S/C11H10BrN5O2/c12-6-3-5-4(7-10(19)17-11(13)16-7)1-2-14-9(18)8(5)15-6/h3,15H,1-2H2,(H,14,18)(H3,13,16,17,19)
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n/an/a 6n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of Mitogen-activated protein kinase (MAPK)phosphorylation by activated MEK-1

J Med Chem 45: 529-32 (2002)


BindingDB Entry DOI: 10.7270/Q2FQ9XCD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))		BDBM7491
PNG
((4Z)-4-(2-amino-5-oxo-3,5-dihydro-4H-imidazol-4-yl...)
Show SMILES NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c(Br)cc12 |w:7.19,t:1|
Show InChI InChI=1S/C11H10BrN5O2/c12-6-3-5-4(7-10(19)17-11(13)16-7)1-2-14-9(18)8(5)15-6/h3,15H,1-2H2,(H,14,18)(H3,13,16,17,19)
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n/an/a 9n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of Mitogen-activated protein kinase (MAPK)phosphorylation by activated MEK-1

J Med Chem 45: 529-32 (2002)


BindingDB Entry DOI: 10.7270/Q2FQ9XCD
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50505404
PNG
(CHEMBL4472110)
Show SMILES C[C@@H]1C[C@]11[C@@H](O)Cc2c1ccc1c2ccc2ccc(O)cc12 |r|
Show InChI InChI=1S/C20H18O2/c1-11-10-20(11)18-7-6-14-15(17(18)9-19(20)22)5-3-12-2-4-13(21)8-16(12)14/h2-8,11,19,21-22H,9-10H2,1H3/t11-,19+,20+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



University of Hawaii at Manoa

Curated by ChEMBL


Assay Description
Displacement of [3H]-estradiol from human recombinant estrogen receptor expressed in insect cells incubated for 17 hrs by radioactive receptor bindin...

J Nat Prod 82: 2668-2671 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00665
BindingDB Entry DOI: 10.7270/Q2J969N6
More data for this
Ligand-Target Pair
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
Mitogen-activated protein kinase 1


(Homo sapiens (Human))		BDBM50108774
PNG
(2-Bromo-6,7-dihydro-1H,5H-pyrrolo[2,3-c]azepine-4,...)
Show SMILES Brc1cc2c([nH]1)C(=O)NCCC2=O
Show InChI InChI=1S/C8H7BrN2O2/c9-6-3-4-5(12)1-2-10-8(13)7(4)11-6/h3,11H,1-2H2,(H,10,13)
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n/an/a 539n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of Mitogen-activated protein kinase (MAPK)phosphorylation by activated MEK-1

J Med Chem 45: 529-32 (2002)


BindingDB Entry DOI: 10.7270/Q2FQ9XCD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))		BDBM50363645
PNG
(DEBROMOHYMENIALDISINE)
Show SMILES NC1=NC(C(=O)N1)=C1CCNC(=O)c2[nH]ccc12 |w:7.8,t:1|
Show InChI InChI=1S/C11H11N5O2/c12-11-15-8(10(18)16-11)6-2-4-14-9(17)7-5(6)1-3-13-7/h1,3,13H,2,4H2,(H,14,17)(H3,12,15,16,18)
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n/an/a 824n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of Mitogen-activated protein kinase (MAPK)phosphorylation by activated MEK-1

J Med Chem 45: 529-32 (2002)


BindingDB Entry DOI: 10.7270/Q2FQ9XCD
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
Mitogen-activated protein kinase 1


(Homo sapiens (Human))		BDBM59117
PNG
(CHEMBL151430 | Hymenialdisine, 11b)
Show SMILES Nc1ncc([nH]1)C1CCNC(=O)c2[nH]c(Br)c(Br)c12
Show InChI InChI=1S/C11H11Br2N5O/c12-7-6-4(5-3-16-11(14)17-5)1-2-15-10(19)8(6)18-9(7)13/h3-4,18H,1-2H2,(H,15,19)(H3,14,16,17)
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n/an/a 1.29E+3n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of Mitogen-activated protein kinase (MAPK)phosphorylation by activated MEK-1

J Med Chem 45: 529-32 (2002)


BindingDB Entry DOI: 10.7270/Q2FQ9XCD
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
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))		BDBM50108776
PNG
(4-(2-Amino-5-oxo-3,5-dihydro-imidazol-4-ylidene)-2...)
Show SMILES NC1=NC(C(=O)N1)=C1CCNC(=O)c2[nH]c(Br)cc12 |w:3.3,t:1|
Show InChI InChI=1S/C11H10BrN5O2/c12-6-3-5-4(7-10(19)17-11(13)16-7)1-2-14-9(18)8(5)15-6/h3,15H,1-2H2,(H,14,18)(H3,13,16,17,19)
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n/an/a 2.50E+3n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of MEK1 phosphorylation by activated human recombinant Raf

J Med Chem 45: 529-32 (2002)


BindingDB Entry DOI: 10.7270/Q2FQ9XCD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))		BDBM50108777
PNG
(6,7-Dihydro-1H,5H-pyrrolo[2,3-c]azepine-4,8-dione ...)
Show SMILES O=C1CCNC(=O)c2[nH]ccc12
Show InChI InChI=1S/C8H8N2O2/c11-6-2-4-10-8(12)7-5(6)1-3-9-7/h1,3,9H,2,4H2,(H,10,12)
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n/an/a>2.50E+3n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of Mitogen-activated protein kinase (MAPK)phosphorylation by activated MEK-1

J Med Chem 45: 529-32 (2002)


BindingDB Entry DOI: 10.7270/Q2FQ9XCD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))		BDBM50108773
PNG
(4,5-Dibromo-1H-pyrrole-2-carboxylic acid amide | 4...)
Show SMILES NC(=O)c1cc(Br)c(Br)[nH]1
Show InChI InChI=1S/C5H4Br2N2O/c6-2-1-3(5(8)10)9-4(2)7/h1,9H,(H2,8,10)
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n/an/a>2.50E+3n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of Mitogen-activated protein kinase (MAPK)phosphorylation by activated MEK-1

J Med Chem 45: 529-32 (2002)


BindingDB Entry DOI: 10.7270/Q2FQ9XCD
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))		BDBM59117
PNG
(CHEMBL151430 | Hymenialdisine, 11b)
Show SMILES Nc1ncc([nH]1)C1CCNC(=O)c2[nH]c(Br)c(Br)c12
Show InChI InChI=1S/C11H11Br2N5O/c12-7-6-4(5-3-16-11(14)17-5)1-2-15-10(19)8(6)18-9(7)13/h3-4,18H,1-2H2,(H,15,19)(H3,14,16,17)
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n/an/a 2.50E+3n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of MEK1 phosphorylation by activated human recombinant Raf

J Med Chem 45: 529-32 (2002)


BindingDB Entry DOI: 10.7270/Q2FQ9XCD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))		BDBM50220547
PNG
(4,5-Dibromo-1H-pyrrole-2-carboxylic acid [3-(2-ami...)
Show SMILES Nc1ncc(C=CCNC(=O)c2cc(Br)c(Br)[nH]2)[nH]1 |w:6.6|
Show InChI InChI=1S/C11H11Br2N5O/c12-7-4-8(18-9(7)13)10(19)15-3-1-2-6-5-16-11(14)17-6/h1-2,4-5,18H,3H2,(H,15,19)(H3,14,16,17)
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n/an/a>2.50E+3n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of Mitogen-activated protein kinase (MAPK)phosphorylation by activated MEK-1

J Med Chem 45: 529-32 (2002)


BindingDB Entry DOI: 10.7270/Q2FQ9XCD
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))		BDBM50108773
PNG
(4,5-Dibromo-1H-pyrrole-2-carboxylic acid amide | 4...)
Show SMILES NC(=O)c1cc(Br)c(Br)[nH]1
Show InChI InChI=1S/C5H4Br2N2O/c6-2-1-3(5(8)10)9-4(2)7/h1,9H,(H2,8,10)
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n/an/a 2.50E+3n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of MEK1 phosphorylation by activated human recombinant Raf

J Med Chem 45: 529-32 (2002)


BindingDB Entry DOI: 10.7270/Q2FQ9XCD
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))		BDBM50363645
PNG
(DEBROMOHYMENIALDISINE)
Show SMILES NC1=NC(C(=O)N1)=C1CCNC(=O)c2[nH]ccc12 |w:7.8,t:1|
Show InChI InChI=1S/C11H11N5O2/c12-11-15-8(10(18)16-11)6-2-4-14-9(17)7-5(6)1-3-13-7/h1,3,13H,2,4H2,(H,14,17)(H3,12,15,16,18)
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n/an/a 2.50E+3n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of MEK1 phosphorylation by activated human recombinant Raf

J Med Chem 45: 529-32 (2002)


BindingDB Entry DOI: 10.7270/Q2FQ9XCD
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))		BDBM50220547
PNG
(4,5-Dibromo-1H-pyrrole-2-carboxylic acid [3-(2-ami...)
Show SMILES Nc1ncc(C=CCNC(=O)c2cc(Br)c(Br)[nH]2)[nH]1 |w:6.6|
Show InChI InChI=1S/C11H11Br2N5O/c12-7-4-8(18-9(7)13)10(19)15-3-1-2-6-5-16-11(14)17-6/h1-2,4-5,18H,3H2,(H,15,19)(H3,14,16,17)
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n/an/a 2.50E+3n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of MEK1 phosphorylation by activated human recombinant Raf

J Med Chem 45: 529-32 (2002)


BindingDB Entry DOI: 10.7270/Q2FQ9XCD
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))		BDBM50108777
PNG
(6,7-Dihydro-1H,5H-pyrrolo[2,3-c]azepine-4,8-dione ...)
Show SMILES O=C1CCNC(=O)c2[nH]ccc12
Show InChI InChI=1S/C8H8N2O2/c11-6-2-4-10-8(12)7-5(6)1-3-9-7/h1,3,9H,2,4H2,(H,10,12)
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n/an/a 2.50E+3n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of MEK1 phosphorylation by activated human recombinant Raf

J Med Chem 45: 529-32 (2002)


BindingDB Entry DOI: 10.7270/Q2FQ9XCD
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))		BDBM50108774
PNG
(2-Bromo-6,7-dihydro-1H,5H-pyrrolo[2,3-c]azepine-4,...)
Show SMILES Brc1cc2c([nH]1)C(=O)NCCC2=O
Show InChI InChI=1S/C8H7BrN2O2/c9-6-3-4-5(12)1-2-10-8(13)7(4)11-6/h3,11H,1-2H2,(H,10,13)
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n/an/a 2.50E+3n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of MEK1 phosphorylation by activated human recombinant Raf

J Med Chem 45: 529-32 (2002)


BindingDB Entry DOI: 10.7270/Q2FQ9XCD
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))		BDBM7491
PNG
((4Z)-4-(2-amino-5-oxo-3,5-dihydro-4H-imidazol-4-yl...)
Show SMILES NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c(Br)cc12 |w:7.19,t:1|
Show InChI InChI=1S/C11H10BrN5O2/c12-6-3-5-4(7-10(19)17-11(13)16-7)1-2-14-9(18)8(5)15-6/h3,15H,1-2H2,(H,14,18)(H3,13,16,17,19)
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n/an/a 2.50E+3n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of MEK1 phosphorylation by activated human recombinant Raf

J Med Chem 45: 529-32 (2002)


BindingDB Entry DOI: 10.7270/Q2FQ9XCD
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))		BDBM50108771
PNG
(2'-amino-3'-methoxyflavone | 2-(2-Amino-3-methoxy-...)
Show SMILES COc1cccc(c1N)-c1cc(=O)c2ccccc2o1
Show InChI InChI=1S/C16H13NO3/c1-19-14-8-4-6-11(16(14)17)15-9-12(18)10-5-2-3-7-13(10)20-15/h2-9H,17H2,1H3
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n/an/a 2.80E+3n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of Mitogen-activated protein kinase (MAPK)phosphorylation by activated MEK-1

J Med Chem 45: 529-32 (2002)


BindingDB Entry DOI: 10.7270/Q2FQ9XCD
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))		BDBM50108771
PNG
(2'-amino-3'-methoxyflavone | 2-(2-Amino-3-methoxy-...)
Show SMILES COc1cccc(c1N)-c1cc(=O)c2ccccc2o1
Show InChI InChI=1S/C16H13NO3/c1-19-14-8-4-6-11(16(14)17)15-9-12(18)10-5-2-3-7-13(10)20-15/h2-9H,17H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of MEK1 phosphorylation by activated human recombinant Raf

J Med Chem 45: 529-32 (2002)


BindingDB Entry DOI: 10.7270/Q2FQ9XCD
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50485630
PNG
(Mollamide F)
Show SMILES [H][C@]12CSC(=N1)[C@@H](Cc1ccccc1)NC(=O)[C@]1([H])CCCN1C(=O)[C@]1([H])CCCN1C(=O)[C@@H](NC(=O)[C@@]([H])(NC2=O)[C@@H](C)CC)C(C)C |r,c:4|
Show InChI InChI=1S/C33H46N6O5S/c1-5-20(4)27-30(42)36-26(19(2)3)33(44)39-16-10-14-25(39)32(43)38-15-9-13-24(38)29(41)34-22(17-21-11-7-6-8-12-21)31-35-23(18-45-31)28(40)37-27/h6-8,11-12,19-20,22-27H,5,9-10,13-18H2,1-4H3,(H,34,41)(H,36,42)(H,37,40)/t20-,22+,23+,24-,25-,26-,27-/m0/s1
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n/an/a 3.90E+4n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase by colorimetry

J Nat Prod 75: 1436-40 (2012)


Article DOI: 10.1021/np300270p
BindingDB Entry DOI: 10.7270/Q2VH5RQZ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50478540
PNG
(Diplyne C sulfate)
Show SMILES OC(COS(O)(=O)=O)C#CC#CCCCCCCCC\C=C\Br
Show InChI InChI=1S/C16H23BrO5S/c17-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16(18)15-22-23(19,20)21/h12,14,16,18H,1-6,8,10,15H2,(H,19,20,21)/b14-12+
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n/an/a 7.36E+4n/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant integrase

J Nat Prod 66: 667-70 (2003)


Article DOI: 10.1021/np020544+
BindingDB Entry DOI: 10.7270/Q2RR2212
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50478541
PNG
(CHEMBL468667)
Show SMILES OC(COS(O)(=O)=O)C#CC#CCCCCCCC#C\C=C\Br
Show InChI InChI=1S/C16H19BrO5S/c17-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16(18)15-22-23(19,20)21/h12,14,16,18H,1-6,15H2,(H,19,20,21)/b14-12+
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n/an/a 7.43E+4n/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant integrase

J Nat Prod 66: 667-70 (2003)


Article DOI: 10.1021/np020544+
BindingDB Entry DOI: 10.7270/Q2RR2212
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50478539
PNG
(CHEMBL468248)
Show SMILES OS(=O)(=O)OCCC#CC#CCCCCC#CC#C\C=C\Br
Show InChI InChI=1S/C16H15BrO4S/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-21-22(18,19)20/h13,15H,1-4,14,16H2,(H,18,19,20)/b15-13+
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n/an/a 7.82E+4n/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant integrase

J Nat Prod 66: 667-70 (2003)


Article DOI: 10.1021/np020544+
BindingDB Entry DOI: 10.7270/Q2RR2212
More data for this
Ligand-Target Pair
Cystathionine beta-synthase


(Homo sapiens (Human))		BDBM50064289
PNG
(CHEMBL3403661)
Show SMILES COc1cc(\C=C2/NC(=S)NC2=O)ccc1OC(C)=O
Show InChI InChI=1S/C13H12N2O4S/c1-7(16)19-10-4-3-8(6-11(10)18-2)5-9-12(17)15-13(20)14-9/h3-6H,1-2H3,(H2,14,15,17,20)/b9-5-
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n/an/a 8.30E+4n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of full-length wild-type cystathionine beta-synthase (unknown origin) assessed as inhibition of H2S production by fluorescence assay in pr...

Bioorg Med Chem Lett 25: 1064-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.013
BindingDB Entry DOI: 10.7270/Q2MW2JT9
More data for this
Ligand-Target Pair
Cystathionine beta-synthase


(Homo sapiens (Human))		BDBM50064264
PNG
(CHEMBL3403662)
Show SMILES COc1cc(\C=C2/N=C(SC)N(C)C2=O)ccc1O |t:7|
Show InChI InChI=1S/C13H14N2O3S/c1-15-12(17)9(14-13(15)19-3)6-8-4-5-10(16)11(7-8)18-2/h4-7,16H,1-3H3/b9-6-
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n/an/a 8.70E+4n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of full-length wild-type cystathionine beta-synthase (unknown origin) assessed as inhibition of H2S production by fluorescence assay in pr...

Bioorg Med Chem Lett 25: 1064-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.013
BindingDB Entry DOI: 10.7270/Q2MW2JT9
More data for this
Ligand-Target Pair
Cystathionine beta-synthase


(Homo sapiens (Human))		BDBM50064292
PNG
(Rubrolide A)
Show SMILES Oc1c(Br)cc(\C=C2/OC(=O)C=C2c2cc(Br)c(O)c(Br)c2)cc1Br |c:11|
Show InChI InChI=1S/C17H8Br4O4/c18-10-1-7(2-11(19)16(10)23)3-14-9(6-15(22)25-14)8-4-12(20)17(24)13(21)5-8/h1-6,23-24H/b14-3-
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n/an/a 1.08E+5n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of full-length wild-type cystathionine beta-synthase (unknown origin) assessed as inhibition of H2S production by fluorescence assay in pr...

Bioorg Med Chem Lett 25: 1064-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.013
BindingDB Entry DOI: 10.7270/Q2MW2JT9
More data for this
Ligand-Target Pair
Cystathionine beta-synthase


(Homo sapiens (Human))		BDBM50064290
PNG
(CHEMBL1956805)
Show SMILES Oc1ccc(\C=C2/NC(=S)NC2=O)cc1O
Show InChI InChI=1S/C10H8N2O3S/c13-7-2-1-5(4-8(7)14)3-6-9(15)12-10(16)11-6/h1-4,13-14H,(H2,11,12,15,16)/b6-3-
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n/an/a 1.25E+5n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of full-length wild-type cystathionine beta-synthase (unknown origin) assessed as inhibition of H2S production by fluorescence assay in pr...

Bioorg Med Chem Lett 25: 1064-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.013
BindingDB Entry DOI: 10.7270/Q2MW2JT9
More data for this
Ligand-Target Pair
Cystathionine beta-synthase


(Homo sapiens (Human))		BDBM50064263
PNG
(CHEMBL3403663)
Show SMILES [Na+].C[C@@]12CCC(=O)c3coc(c13)C(=O)c1cc3cccc(OS([O-])(=O)=O)c3cc21 |r|
Show InChI InChI=1S/C20H14O7S.Na/c1-20-6-5-15(21)13-9-26-19(17(13)20)18(22)12-7-10-3-2-4-16(27-28(23,24)25)11(10)8-14(12)20;/h2-4,7-9H,5-6H2,1H3,(H,23,24,25);/q;+1/p-1/t20-;/m0./s1
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n/an/a 1.36E+5n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of full-length wild-type cystathionine beta-synthase (unknown origin) assessed as inhibition of H2S production by fluorescence assay in pr...

Bioorg Med Chem Lett 25: 1064-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.013
BindingDB Entry DOI: 10.7270/Q2MW2JT9
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50478543
PNG
(Diplyne C)
Show SMILES OCC(O)C#CC#CCCCCCCCC\C=C\Br
Show InChI InChI=1S/C16H23BrO2/c17-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16(19)15-18/h12,14,16,18-19H,1-6,8,10,15H2/b14-12+
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n/an/a>1.52E+5n/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant integrase

J Nat Prod 66: 667-70 (2003)


Article DOI: 10.1021/np020544+
BindingDB Entry DOI: 10.7270/Q2RR2212
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50478538
PNG
(Diplyne B)
Show SMILES OCC(O)C#CC#CCCCCCCC#C\C=C/Br
Show InChI InChI=1S/C16H19BrO2/c17-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16(19)15-18/h12,14,16,18-19H,1-6,15H2/b14-12-
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n/an/a>1.54E+5n/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant integrase

J Nat Prod 66: 667-70 (2003)


Article DOI: 10.1021/np020544+
BindingDB Entry DOI: 10.7270/Q2RR2212
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50478542
PNG
(DIPLYNE A)
Show SMILES OCC(O)C#CC#CCCCCCCC#C\C=C\Br
Show InChI InChI=1S/C16H19BrO2/c17-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16(19)15-18/h12,14,16,18-19H,1-6,15H2/b14-12+
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University of California at San Diego

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant integrase

J Nat Prod 66: 667-70 (2003)


Article DOI: 10.1021/np020544+
BindingDB Entry DOI: 10.7270/Q2RR2212
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50478544
PNG
(Diplyne E)
Show SMILES OCC(O)C#CC#CCCCC\C=C\C#C\C=C\Br
Show InChI InChI=1S/C16H17BrO2/c17-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16(19)15-18/h4,6,12,14,16,18-19H,1-3,5,15H2/b6-4+,14-12+
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n/an/a>1.55E+5n/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant integrase

J Nat Prod 66: 667-70 (2003)


Article DOI: 10.1021/np020544+
BindingDB Entry DOI: 10.7270/Q2RR2212
More data for this
Ligand-Target Pair
Cystathionine beta-synthase


(Homo sapiens (Human))		BDBM50108773
PNG
(4,5-Dibromo-1H-pyrrole-2-carboxylic acid amide | 4...)
Show SMILES NC(=O)c1cc(Br)c(Br)[nH]1
Show InChI InChI=1S/C5H4Br2N2O/c6-2-1-3(5(8)10)9-4(2)7/h1,9H,(H2,8,10)
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n/an/a 1.56E+5n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of full-length wild-type cystathionine beta-synthase (unknown origin) assessed as inhibition of H2S production by fluorescence assay in pr...

Bioorg Med Chem Lett 25: 1064-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.013
BindingDB Entry DOI: 10.7270/Q2MW2JT9
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50478537
PNG
(Diplyne D)
Show SMILES OCC(O)C#CC#CCCCCC#CC#C\C=C\Br
Show InChI InChI=1S/C16H15BrO2/c17-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16(19)15-18/h12,14,16,18-19H,1-3,5,15H2/b14-12+
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University of California at San Diego

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant integrase

J Nat Prod 66: 667-70 (2003)


Article DOI: 10.1021/np020544+
BindingDB Entry DOI: 10.7270/Q2RR2212
More data for this
Ligand-Target Pair
Cystathionine beta-synthase


(Homo sapiens (Human))		BDBM50064265
PNG
(CHEMBL1956777)
Show SMILES O=C1NC(=S)N\C1=C/c1ccccc1
Show InChI InChI=1S/C10H8N2OS/c13-9-8(11-10(14)12-9)6-7-4-2-1-3-5-7/h1-6H,(H2,11,12,13,14)/b8-6-
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n/an/a 1.70E+5n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of full-length wild-type cystathionine beta-synthase (unknown origin) assessed as inhibition of H2S production by fluorescence assay in pr...

Bioorg Med Chem Lett 25: 1064-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.013
BindingDB Entry DOI: 10.7270/Q2MW2JT9
More data for this
Ligand-Target Pair
Cystathionine beta-synthase


(Homo sapiens (Human))		BDBM50064291
PNG
(CHEMBL1957775)
Show SMILES COc1cc(\C=C2/NC(=S)NC2=O)ccc1O
Show InChI InChI=1S/C11H10N2O3S/c1-16-9-5-6(2-3-8(9)14)4-7-10(15)13-11(17)12-7/h2-5,14H,1H3,(H2,12,13,15,17)/b7-4-
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n/an/a 1.87E+5n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of full-length wild-type cystathionine beta-synthase (unknown origin) assessed as inhibition of H2S production by fluorescence assay in pr...

Bioorg Med Chem Lett 25: 1064-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.01.013
BindingDB Entry DOI: 10.7270/Q2MW2JT9
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM26985
PNG
(2-triaza-1,2-diyne | CHEMBL79455 | CHEMBL89295 | N...)
Show SMILES [N-]=[N+]=[N-]
Show InChI InChI=1S/N3/c1-3-2/q-1
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n/an/a 4.60E+7n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase by colorimetry

J Nat Prod 75: 1436-40 (2012)


Article DOI: 10.1021/np300270p
BindingDB Entry DOI: 10.7270/Q2VH5RQZ
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
Endothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))		BDBM50478130
PNG
(CHEMBL271159)
Show SMILES [H][C@]12CC[C@](C)(O)[C@@H](Cc3cc(O)ccc3O)[C@]1(C)CC[C@]1([H])[C@]3(C)CCC[C@]21COC3=O
Show InChI InChI=1S/C26H36O5/c1-23-11-7-20-24(2)9-4-10-26(20,15-31-22(24)29)19(23)8-12-25(3,30)21(23)14-16-13-17(27)5-6-18(16)28/h5-6,13,19-21,27-28,30H,4,7-12,14-15H2,1-3H3/t19-,20+,21-,23+,24-,25-,26-/m0/s1
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n/an/an/an/a 6.00E+3n/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of hypoxia-induced HIF1 transcriptional activation in human U251-HRE cells by luciferase reporter assay

J Med Chem 51: 1402-5 (2008)


Article DOI: 10.1021/jm7010854
BindingDB Entry DOI: 10.7270/Q2W95CZS
More data for this
Ligand-Target Pair
Endothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))		BDBM50478131
PNG
(CHEMBL270091)
Show SMILES [H][C@]12CC[C@]3(C)[C@]([H])(CC[C@]4(C)Oc5ccc(O)cc5C[C@@]34[H])[C@@]11CCC[C@]2(C)C(=O)OC1
Show InChI InChI=1S/C26H34O4/c1-23-11-7-20-24(2)9-4-10-26(20,15-29-22(24)28)19(23)8-12-25(3)21(23)14-16-13-17(27)5-6-18(16)30-25/h5-6,13,19-21,27H,4,7-12,14-15H2,1-3H3/t19-,20+,21-,23+,24-,25-,26-/m0/s1
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n/an/an/an/a 8.00E+3n/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of hypoxia-induced HIF1 transcriptional activation in human U251-HRE cells by luciferase reporter assay

J Med Chem 51: 1402-5 (2008)


Article DOI: 10.1021/jm7010854
BindingDB Entry DOI: 10.7270/Q2W95CZS
More data for this
Ligand-Target Pair
Endothelial PAS domain-containing protein 1/Hypoxia-inducible factor 1-alpha


(Homo sapiens (Human))		BDBM50478132
PNG
(CHEMBL259472)
Show SMILES [H][C@]12CC[C@]3(C)[C@]([H])(CC[C@]4(C)Oc5ccc(O)cc5C[C@@]34[H])[C@@]1(C)CCC[C@]2(C)C(O)=O
Show InChI InChI=1S/C26H36O4/c1-23-10-5-11-25(3,22(28)29)20(23)8-12-24(2)19(23)9-13-26(4)21(24)15-16-14-17(27)6-7-18(16)30-26/h6-7,14,19-21,27H,5,8-13,15H2,1-4H3,(H,28,29)/t19-,20+,21+,23-,24-,25+,26+/m1/s1
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n/an/an/an/a 1.30E+4n/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of hypoxia-induced HIF1 transcriptional activation in human U251-HRE cells by luciferase reporter assay

J Med Chem 51: 1402-5 (2008)


Article DOI: 10.1021/jm7010854
BindingDB Entry DOI: 10.7270/Q2W95CZS
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))		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))		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