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SMILES: CO[C@H]1O[C@H](Cn2cc(NC(=O)c3cccc(c3)C(=O)Nc3cn(C[C@H]4O[C@H](OC)[C@H](OCc5ccccc5)[C@H](OCc5ccccc5)[C@@H]4OCc4ccccc4)nn3)nn2)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1

InChI Key: InChIKey=WISYBQFKOJPGFY-YCCHISAGSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50183055   
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 2


(Homo sapiens (Human))
BDBM50183055
PNG
(CHEMBL3818449)
Show SMILES CO[C@H]1O[C@H](Cn2cc(NC(=O)c3cccc(c3)C(=O)Nc3cn(C[C@H]4O[C@H](OC)[C@H](OCc5ccccc5)[C@H](OCc5ccccc5)[C@@H]4OCc4ccccc4)nn3)nn2)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1 |r|
Show InChI InChI=1S/C68H70N8O12/c1-79-67-63(85-45-51-30-17-7-18-31-51)61(83-43-49-26-13-5-14-27-49)59(81-41-47-22-9-3-10-23-47)55(87-67)37-75-39-57(71-73-75)69-65(77)53-34-21-35-54(36-53)66(78)70-58-40-76(74-72-58)38-56-60(82-42-48-24-11-4-12-25-48)62(84-44-50-28-15-6-16-29-50)64(68(80-2)88-56)86-46-52-32-19-8-20-33-52/h3-36,39-40,55-56,59-64,67-68H,37-38,41-46H2,1-2H3,(H,69,77)(H,70,78)/t55-,56-,59-,60-,61-,62-,63-,64-,67+,68+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 1.55E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human TCPTP using p-nitrophenyl phosphate as substrate by micro plate reader method


Bioorg Med Chem 24: 3343-52 (2016)


BindingDB Entry DOI: 10.7270/Q20Z756P
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50183055
PNG
(CHEMBL3818449)
Show SMILES CO[C@H]1O[C@H](Cn2cc(NC(=O)c3cccc(c3)C(=O)Nc3cn(C[C@H]4O[C@H](OC)[C@H](OCc5ccccc5)[C@H](OCc5ccccc5)[C@@H]4OCc4ccccc4)nn3)nn2)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1 |r|
Show InChI InChI=1S/C68H70N8O12/c1-79-67-63(85-45-51-30-17-7-18-31-51)61(83-43-49-26-13-5-14-27-49)59(81-41-47-22-9-3-10-23-47)55(87-67)37-75-39-57(71-73-75)69-65(77)53-34-21-35-54(36-53)66(78)70-58-40-76(74-72-58)38-56-60(82-42-48-24-11-4-12-25-48)62(84-44-50-28-15-6-16-29-50)64(68(80-2)88-56)86-46-52-32-19-8-20-33-52/h3-36,39-40,55-56,59-64,67-68H,37-38,41-46H2,1-2H3,(H,69,77)(H,70,78)/t55-,56-,59-,60-,61-,62-,63-,64-,67+,68+/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B catalytic domain using p-nitrophenyl phosphate as substrate by micro plate reader method


Bioorg Med Chem 24: 3343-52 (2016)


BindingDB Entry DOI: 10.7270/Q20Z756P
More data for this
Ligand-Target Pair