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BDBM23197 (1S,2R,4aS,6aS,6bR,10S,12aR,12bR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid::Ursolic Acid, 10::Ursolic acid (UA)::pentacyclic triterpene compound 10

SMILES: [H][C@@]12[C@@H](C)[C@H](C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)C3CC[C@@]12C)C(O)=O

InChI Key: InChIKey=WCGUUGGRBIKTOS-JJWDWEPMSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 23197   
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
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM23197
PNG
((1S,2R,4aS,6aS,6bR,10S,12aR,12bR,14bS)-10-hydroxy-...)
Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
Show InChI InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21?,22-,23+,24+,27+,28-,29-,30+/m1/s1
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KEGG

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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 3.20E+3n/an/an/an/a6.530



Yanbian University College of Pharmacy



Assay Description
Briefly, the enzymatic activity of the PTP1B catalytic domain was determinedat 30C by monitoring the hydrolysis of pNPP. Dephosphorylation of pNPP g...


J Enzyme Inhib Med Chem 28: 1199-204 (2013)


Article DOI: 10.3109/14756366.2012.723206
BindingDB Entry DOI: 10.7270/Q2668C3G
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))
BDBM23197
PNG
((1S,2R,4aS,6aS,6bR,10S,12aR,12bR,14bS)-10-hydroxy-...)
Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O
Show InChI InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21?,22-,23+,24+,27+,28-,29-,30+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 9.00E+3n/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