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SMILES: CC(C)C(NC1=NS(=O)(=O)c2ccccc12)C(=O)NCC(NC(=O)c1n[nH]c2ccc(cc12)[N+]([O-])=O)C(=O)NC(CCCCNC(=O)CCCC[C@@H]1SCC2NC(=O)NC12)C(N)=O

InChI Key:

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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50557998   
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))
BDBM50557998
PNG
(CHEMBL4796866)
Show SMILES CC(C)C(NC1=NS(=O)(=O)c2ccccc12)C(=O)NCC(NC(=O)c1n[nH]c2ccc(cc12)[N+]([O-])=O)C(=O)NC(CCCCNC(=O)CCCC[C@@H]1SCC2NC(=O)NC12)C(N)=O |r,t:5|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
250n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged recombinant human PTP1B (1 to 321 residues) expressed in Escherichia coli using DifMup as substrate preincubated ...


Citation and Details

Article DOI: 10.1016/j.bmcl.2015.11.102
BindingDB Entry DOI: 10.7270/Q2KK9GHP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50557998
PNG
(CHEMBL4796866)
Show SMILES CC(C)C(NC1=NS(=O)(=O)c2ccccc12)C(=O)NCC(NC(=O)c1n[nH]c2ccc(cc12)[N+]([O-])=O)C(=O)NC(CCCCNC(=O)CCCC[C@@H]1SCC2NC(=O)NC12)C(N)=O |r,t:5|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
>2.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human TCPTP (1 to 317 residues) expressed in Escherichia coli using DifMup as substrate preincubated for 30 mins followed b...


Citation and Details

Article DOI: 10.1016/j.bmcl.2015.11.102
BindingDB Entry DOI: 10.7270/Q2KK9GHP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50557998
PNG
(CHEMBL4796866)
Show SMILES CC(C)C(NC1=NS(=O)(=O)c2ccccc12)C(=O)NCC(NC(=O)c1n[nH]c2ccc(cc12)[N+]([O-])=O)C(=O)NC(CCCCNC(=O)CCCC[C@@H]1SCC2NC(=O)NC12)C(N)=O |r,t:5|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 50n/an/an/an/an/a


TBA

Assay Description
Binding affinity to N-terminal GST-tagged recombinant human PTP1B (1 to 321 residues) expressed in Escherichia coli assessed as dissociation constant...


Citation and Details

Article DOI: 10.1016/j.bmcl.2015.11.102
BindingDB Entry DOI: 10.7270/Q2KK9GHP
More data for this
Ligand-Target Pair