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BDBM50021951 CHEMBL3298775

SMILES: [H][C@@]12[C@@H](OC(C)=O)[C@@H](C)C(=O)[C@@]34C[C@H](C)[C@H](OC(=O)[C@@]5(C)C[C@H]5C)[C@@]3(O4)\C=C(C)\[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]1([H])C2(C)C

InChI Key: InChIKey=CGRLBLUEWPCZOS-BPOUFJLISA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50021951   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50021951
PNG
(CHEMBL3298775)
Show SMILES C[C@@H]1C[C@]1(C)C(=O)O[C@H]1[C@@H](C)C[C@@]23O[C@@]12\C=C(C)\[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1[C@@H]([C@@H](OC(C)=O)[C@@H](C)C3=O)C1(C)C
Show InChI InChI=1S/C32H44O10/c1-14-11-32-27(41-28(37)30(10)13-16(30)3)15(2)12-31(32,42-32)26(36)17(4)24(39-19(6)34)21-22(29(21,8)9)25(40-20(7)35)23(14)38-18(5)33/h11,15-17,21-25,27H,12-13H2,1-10H3/b14-11+/t15-,16+,17+,21-,22+,23+,24-,25+,27-,30-,31-,32-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a<1.00E+4n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin)


J Nat Prod 77: 1452-8 (2014)


Article DOI: 10.1021/np5002237
BindingDB Entry DOI: 10.7270/Q2T1557H
More data for this
Ligand-Target Pair