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BDBM23207 (1R,2R,5S,8R,9R,10R,13R,14R,17S,19R)-5-(hydroxymethyl)-1,2,14,18,18-pentamethyl-8-(prop-1-en-2-yl)pentacyclo[11.8.0.0^{2,10}.0^{5,9}.0^{14,19}]henicosan-17-ol::Betulin, 23::Betulinol

SMILES: [H][C@]12[C@@H](CC[C@]1(CO)CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(C)=C

InChI Key: InChIKey=FVWJYYTZTCVBKE-ROUWMTJPSA-N

Data: 9 IC50  1 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 10 hits for monomerid = 23207   
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
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))		BDBM23207
PNG
((1R,2R,5S,8R,9R,10R,13R,14R,17S,19R)-5-(hydroxymet...)
Show SMILES [H][C@]12[C@@H](CC[C@]1(CO)CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(C)=C
Show InChI InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1
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n/an/a 1.70E+4n/an/an/an/a7.222



China Pharmaceutical University



Assay Description
The activity of the compounds is determined by measuring the inhibitory effect of the compounds in the direction of glycogen synthesis, the conversio...

J Med Chem 51: 3540-54 (2008)


Article DOI: 10.1021/jm8000949
BindingDB Entry DOI: 10.7270/Q2WQ0233
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))		BDBM23207
PNG
((1R,2R,5S,8R,9R,10R,13R,14R,17S,19R)-5-(hydroxymet...)
Show SMILES [H][C@]12[C@@H](CC[C@]1(CO)CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(C)=C
Show InChI InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1
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n/an/a>1.50E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PKC beta2

J Nat Prod 57: 243-247 (1994)


Article DOI: 10.1021/np50104a008
BindingDB Entry DOI: 10.7270/Q2TT4R0Z
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (Human))		BDBM23207
PNG
((1R,2R,5S,8R,9R,10R,13R,14R,17S,19R)-5-(hydroxymet...)
Show SMILES [H][C@]12[C@@H](CC[C@]1(CO)CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(C)=C
Show InChI InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1
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n/an/a>1.50E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of PKC epsilon

J Nat Prod 57: 243-247 (1994)


Article DOI: 10.1021/np50104a008
BindingDB Entry DOI: 10.7270/Q2TT4R0Z
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))		BDBM23207
PNG
((1R,2R,5S,8R,9R,10R,13R,14R,17S,19R)-5-(hydroxymet...)
Show SMILES [H][C@]12[C@@H](CC[C@]1(CO)CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(C)=C
Show InChI InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1
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n/an/a 4.15E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle glycogen phosphorylase a

Bioorg Med Chem Lett 21: 338-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.004
BindingDB Entry DOI: 10.7270/Q2MC909F
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM23207
PNG
((1R,2R,5S,8R,9R,10R,13R,14R,17S,19R)-5-(hydroxymet...)
Show SMILES [H][C@]12[C@@H](CC[C@]1(CO)CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(C)=C
Show InChI InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1
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n/an/a>4.51E+5n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Inhibition of HIV1 RT

J Nat Prod 54: 143-54


Article DOI: 10.1021/np50073a012
BindingDB Entry DOI: 10.7270/Q2NK3HTG
More data for this
Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))		BDBM23207
PNG
((1R,2R,5S,8R,9R,10R,13R,14R,17S,19R)-5-(hydroxymet...)
Show SMILES [H][C@]12[C@@H](CC[C@]1(CO)CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(C)=C
Show InChI InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1
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n/an/a 3.86E+4n/an/an/an/an/an/a



Osaka University of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Inhibition of human 1 unit topoisomerase 2alpha catalytic activity assessed as relaxation of 198 ng supercoiled pBR322 DNA by agarose gel electrophor...

J Nat Prod 64: 1545-7 (2001)


BindingDB Entry DOI: 10.7270/Q2X92C63
More data for this
Ligand-Target Pair
G-protein coupled bile acid receptor 1


(Homo sapiens (Human))		BDBM23207
PNG
((1R,2R,5S,8R,9R,10R,13R,14R,17S,19R)-5-(hydroxymet...)
Show SMILES [H][C@]12[C@@H](CC[C@]1(CO)CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(C)=C
Show InChI InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Universite Louis Pasteur

Curated by ChEMBL


Assay Description
Agonist activity at TGR5 expressed in CHO cells by CRE-driven luciferase reporter gene assay

J Med Chem 53: 178-90 (2010)


Article DOI: 10.1021/jm900872z
BindingDB Entry DOI: 10.7270/Q2RJ4KDW
More data for this
Ligand-Target Pair
Pancreatic alpha-amylase


(Sus scrofa (Pig))		BDBM23207
PNG
((1R,2R,5S,8R,9R,10R,13R,14R,17S,19R)-5-(hydroxymet...)
Show SMILES [H][C@]12[C@@H](CC[C@]1(CO)CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(C)=C
Show InChI InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1
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n/an/a>2.00E+5n/an/an/an/an/an/a



School of Life Science and Biotechnology, Dalian University of Technology, Dalian 116024, Liaoning, China.

Curated by ChEMBL


Assay Description
Inhibition of porcine pancreatic alpha-amylase using starch as substrate preincubated for 15 mins followed by substrate addition measured after 10 mi...

Bioorg Med Chem Lett 27: 5065-5070 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.027
BindingDB Entry DOI: 10.7270/Q2Q81GJ7
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))		BDBM23207
PNG
((1R,2R,5S,8R,9R,10R,13R,14R,17S,19R)-5-(hydroxymet...)
Show SMILES [H][C@]12[C@@H](CC[C@]1(CO)CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(C)=C
Show InChI InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1
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n/an/a 8.80E+3n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of biotinylated consensus sequence binding to NF-kB p65 in human HeLa nuclear extracts after 3 hrs by ELISA

Bioorg Med Chem 26: 4452-4460 (2018)


Article DOI: 10.1016/j.bmc.2018.07.025
BindingDB Entry DOI: 10.7270/Q2N300MM
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))		BDBM23207
PNG
((1R,2R,5S,8R,9R,10R,13R,14R,17S,19R)-5-(hydroxymet...)
Show SMILES [H][C@]12[C@@H](CC[C@]1(CO)CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(C)=C
Show InChI InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1
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n/an/a 1.70E+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