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SMILES: CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)NCCCCCC(O)=O

InChI Key: InChIKey=LVOTYHYJWWIIGB-QNPVKEAASA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50433190   
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
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50433190
PNG
(CHEMBL2375455)
Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)NCCCCCC(O)=O |r,c:10|
Show InChI InChI=1S/C42H67NO10/c1-37(2)18-20-42(36(51)43-22-10-8-9-11-29(44)45)21-19-40(6)24(25(42)23-37)12-13-27-39(5)16-15-28(38(3,4)26(39)14-17-41(27,40)7)52-35-32(48)30(46)31(47)33(53-35)34(49)50/h12,25-28,30-33,35,46-48H,8-11,13-23H2,1-7H3,(H,43,51)(H,44,45)(H,49,50)/t25-,26-,27+,28-,30-,31-,32+,33-,35+,39-,40+,41+,42-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 560n/an/an/an/an/an/a



Northwest University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin) expressed in Escherichia coli expression system using p-nitrophenyl phosphate as substrate assessed as release o...


Eur J Med Chem 63: 511-22 (2013)


Article DOI: 10.1016/j.ejmech.2013.03.001
BindingDB Entry DOI: 10.7270/Q27S7Q59
More data for this
Ligand-Target Pair