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BDBM50175892 2alpha,3beta-dihydroxy-12-oleanen-28-oic acid::2alpha,3beta-dihydroxy-olean-12-en-28-oic acid::CHEMBL201515::Maslinic acid::Maslinicacid

SMILES: CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O

InChI Key: InChIKey=MDZKJHQSJHYOHJ-LLICELPBSA-N

Data: 2 KI  19 IC50  2 EC50

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 23 hits for monomerid = 50175892   
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
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))		BDBM50175892
PNG
(2alpha,3beta-dihydroxy-12-oleanen-28-oic acid | 2a...)
Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10|
Show InChI InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23-,27-,28+,29+,30-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Martin-Luther-Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 20mins before the addition of substrate by Ellman's met...

Eur J Med Chem 103: 438-45 (2015)


BindingDB Entry DOI: 10.7270/Q2WS8W46
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50175892
PNG
(2alpha,3beta-dihydroxy-12-oleanen-28-oic acid | 2a...)
Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10|
Show InChI InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23-,27-,28+,29+,30-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Martin-Luther-Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate preincubated for 20mins before the addition of substrate by E...

Eur J Med Chem 103: 438-45 (2015)


BindingDB Entry DOI: 10.7270/Q2WS8W46
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))		BDBM50175892
PNG
(2alpha,3beta-dihydroxy-12-oleanen-28-oic acid | 2a...)
Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10|
Show InChI InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23-,27-,28+,29+,30-/m0/s1
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n/an/a>4.00E+4n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human SHP1

Bioorg Med Chem Lett 19: 6618-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.017
BindingDB Entry DOI: 10.7270/Q2BR8S8F
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase F (LAR)


(Homo sapiens (Human))		BDBM50175892
PNG
(2alpha,3beta-dihydroxy-12-oleanen-28-oic acid | 2a...)
Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10|
Show InChI InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23-,27-,28+,29+,30-/m0/s1
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n/an/a>4.00E+4n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human LAR

Bioorg Med Chem Lett 19: 6618-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.017
BindingDB Entry DOI: 10.7270/Q2BR8S8F
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM50175892
PNG
(2alpha,3beta-dihydroxy-12-oleanen-28-oic acid | 2a...)
Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10|
Show InChI InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23-,27-,28+,29+,30-/m0/s1
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n/an/a>4.00E+4n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human SHP2

Bioorg Med Chem Lett 19: 6618-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.017
BindingDB Entry DOI: 10.7270/Q2BR8S8F
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))		BDBM50175892
PNG
(2alpha,3beta-dihydroxy-12-oleanen-28-oic acid | 2a...)
Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10|
Show InChI InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23-,27-,28+,29+,30-/m0/s1
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n/an/a 5.93E+3n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human PTP 1B

Bioorg Med Chem Lett 19: 6618-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.017
BindingDB Entry DOI: 10.7270/Q2BR8S8F
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))		BDBM50175892
PNG
(2alpha,3beta-dihydroxy-12-oleanen-28-oic acid | 2a...)
Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10|
Show InChI InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23-,27-,28+,29+,30-/m0/s1
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n/an/a 2.80E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle glycogen phosphorylase A assessed as release of phosphate from glucose-1-phosphate after 25 mins by microplate reader bas...

Eur J Med Chem 46: 2011-21 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.053
BindingDB Entry DOI: 10.7270/Q2DB826B
More data for this
Ligand-Target Pair
Muscle glycogen phosphorylase


(Homo sapiens (Human))		BDBM50175892
PNG
(2alpha,3beta-dihydroxy-12-oleanen-28-oic acid | 2a...)
Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10|
Show InChI InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23-,27-,28+,29+,30-/m0/s1
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n/an/a 2.80E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory concentration against rabbit muscle glycogen phosphorylase

Bioorg Med Chem Lett 15: 4944-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.026
BindingDB Entry DOI: 10.7270/Q27M08R5
More data for this
Ligand-Target Pair
Liver glycogen phosphorylase


(Rattus norvegicus)		BDBM50175892
PNG
(2alpha,3beta-dihydroxy-12-oleanen-28-oic acid | 2a...)
Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10|
Show InChI InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23-,27-,28+,29+,30-/m0/s1
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n/an/a 9.90E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat liver glycogen phosphorylase

Bioorg Med Chem Lett 15: 4944-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.026
BindingDB Entry DOI: 10.7270/Q27M08R5
More data for this
Ligand-Target Pair
Hypoxia-inducible factor prolyl hydroxylase


(Homo sapiens (Human))		BDBM50175892
PNG
(2alpha,3beta-dihydroxy-12-oleanen-28-oic acid | 2a...)
Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10|
Show InChI InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23-,27-,28+,29+,30-/m0/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of PHD (unknown origin) expressed in mouse NIH/3T3 cells harboring HRE-driven luciferase gene assessed as transactivation of HIF1alpha aft...

J Nat Prod 81: 2235-2243 (2018)


Article DOI: 10.1021/acs.jnatprod.8b00514
More data for this
Ligand-Target Pair
Aldo-keto reductase family member 1B10 (AKR1B10)


(Homo sapiens (Human))		BDBM50175892
PNG
(2alpha,3beta-dihydroxy-12-oleanen-28-oic acid | 2a...)
Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10|
Show InChI InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23-,27-,28+,29+,30-/m0/s1
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n/an/a 630n/an/an/an/an/an/a



Gifu Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of reductase activity of N-terminal 6His-tagged human AKR1B10 expressed in Escherichia coli BL21(DE3) assessed as pyridine-3-aldehyde redu...

J Nat Prod 74: 1201-6 (2011)


Article DOI: 10.1021/np200118q
BindingDB Entry DOI: 10.7270/Q25D8SXZ
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))		BDBM50175892
PNG
(2alpha,3beta-dihydroxy-12-oleanen-28-oic acid | 2a...)
Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10|
Show InChI InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23-,27-,28+,29+,30-/m0/s1
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n/an/a 2.80E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle glycogen phosphorylase a assessed as glycogen synthesis

J Nat Prod 71: 1877-80 (2011)


Article DOI: 10.1021/np8003886
BindingDB Entry DOI: 10.7270/Q2Q2416F
More data for this
Ligand-Target Pair
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50175892
PNG
(2alpha,3beta-dihydroxy-12-oleanen-28-oic acid | 2a...)
Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10|
Show InChI InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23-,27-,28+,29+,30-/m0/s1
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n/an/a 6.27E+4n/an/an/an/an/an/a



Universidad de Granada

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant protease expressed in Escherichia coli using Abz-Ala-Arg-Val-Nle-Tyr(NO2)-Glu-Ala-Nle-NH2 as substrate by FRET assay

Eur J Med Chem 74: 278-301 (2014)


Article DOI: 10.1016/j.ejmech.2013.12.049
BindingDB Entry DOI: 10.7270/Q2T43X2N
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))		BDBM50175892
PNG
(2alpha,3beta-dihydroxy-12-oleanen-28-oic acid | 2a...)
Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10|
Show InChI InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23-,27-,28+,29+,30-/m0/s1
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n/an/a>4.00E+4n/an/an/an/an/an/a



Osaka University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LOX expressed in insect cells assessed as decrease in production of 5-HPETE and 5-HETE using arachidonic acid as su...

J Nat Prod 82: 3311-3320 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00538
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))		BDBM50175892
PNG
(2alpha,3beta-dihydroxy-12-oleanen-28-oic acid | 2a...)
Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10|
Show InChI InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23-,27-,28+,29+,30-/m0/s1
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n/an/a 4.20E+4n/an/an/an/an/an/a



Osaka University

Curated by ChEMBL


Assay Description
Inhibition of ovine recombinant COX1 assessed as decrease in formation of PGE2 using arachidonic acid as substrate preincubated for 10 mins followed ...

J Nat Prod 82: 3311-3320 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00538
More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (Human))		BDBM50175892
PNG
(2alpha,3beta-dihydroxy-12-oleanen-28-oic acid | 2a...)
Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10|
Show InChI InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23-,27-,28+,29+,30-/m0/s1
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n/an/a>4.00E+4n/an/an/an/an/an/a



Osaka University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 expressed in baculovirus infected sf21 cells assessed as decrease in PGE2 formation using arachidonic acid as su...

J Nat Prod 82: 3311-3320 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00538
More data for this
Ligand-Target Pair
5-lipoxygenase/FLAP


(Homo sapiens (Human))		BDBM50175892
PNG
(2alpha,3beta-dihydroxy-12-oleanen-28-oic acid | 2a...)
Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10|
Show InChI InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23-,27-,28+,29+,30-/m0/s1
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n/an/a>4.00E+4n/an/an/an/an/an/a



Osaka University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 5-LOX expressed in insect cells assessed as decrease in production of 5-HPETE and 5-HETE using arachidonic acid as su...

J Nat Prod 82: 3311-3320 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00538
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Ovis aries (Sheep))		BDBM50175892
PNG
(2alpha,3beta-dihydroxy-12-oleanen-28-oic acid | 2a...)
Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10|
Show InChI InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23-,27-,28+,29+,30-/m0/s1
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n/an/a 4.20E+4n/an/an/an/an/an/a



Osaka University

Curated by ChEMBL


Assay Description
Inhibition of ovine recombinant COX1 assessed as decrease in formation of PGE2 using arachidonic acid as substrate preincubated for 10 mins followed ...

J Nat Prod 82: 3311-3320 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00538
More data for this
Ligand-Target Pair
Prostaglandin E synthase/G/H synthase 2


(Homo sapiens (Human))		BDBM50175892
PNG
(2alpha,3beta-dihydroxy-12-oleanen-28-oic acid | 2a...)
Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10|
Show InChI InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23-,27-,28+,29+,30-/m0/s1
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n/an/a>4.00E+4n/an/an/an/an/an/a



Osaka University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant COX2 expressed in baculovirus infected sf21 cells assessed as decrease in PGE2 formation using arachidonic acid as su...

J Nat Prod 82: 3311-3320 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00538
More data for this
Ligand-Target Pair
Hypoxia-inducible factor prolyl hydroxylase


(Homo sapiens (Human))		BDBM50175892
PNG
(2alpha,3beta-dihydroxy-12-oleanen-28-oic acid | 2a...)
Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10|
Show InChI InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23-,27-,28+,29+,30-/m0/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of PHD (unknown origin) expressed in mouse NIH/3T3 cells harboring HRE-driven luciferase gene assessed as transactivation of HIF1alpha aft...

J Nat Prod 81: 2235-2243 (2018)


Article DOI: 10.1021/acs.jnatprod.8b00514
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))		BDBM50175892
PNG
(2alpha,3beta-dihydroxy-12-oleanen-28-oic acid | 2a...)
Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10|
Show InChI InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23-,27-,28+,29+,30-/m0/s1
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n/an/a 1.95E+4n/an/an/an/an/an/a



East China Normal University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human TCPTP

Bioorg Med Chem Lett 19: 6618-22 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.017
BindingDB Entry DOI: 10.7270/Q2BR8S8F
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))		BDBM50175892
PNG
(2alpha,3beta-dihydroxy-12-oleanen-28-oic acid | 2a...)
Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10|
Show InChI InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23-,27-,28+,29+,30-/m0/s1
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n/an/a 2.80E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory activity against rabbit muscle GPa

Bioorg Med Chem Lett 16: 722-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.10.014
BindingDB Entry DOI: 10.7270/Q22B8XMZ
More data for this
Ligand-Target Pair
Aldose reductase (AR)


(Homo sapiens (Human))		BDBM50175892
PNG
(2alpha,3beta-dihydroxy-12-oleanen-28-oic acid | 2a...)
Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10|
Show InChI InChI=1S/C30H48O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)/t19-,20+,21-,22+,23-,27-,28+,29+,30-/m0/s1
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n/an/a 7.20E+4n/an/an/an/an/an/a



Gifu Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of reductase activity of N-terminal 6His-tagged human recombinant AKR1B1 expressed in Escherichia coli BL21(DE3) assessed as assessed as p...

J Nat Prod 74: 1201-6 (2011)


Article DOI: 10.1021/np200118q
BindingDB Entry DOI: 10.7270/Q25D8SXZ
More data for this
Ligand-Target Pair