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BDBM50486310 CHEMBL2235927

SMILES: CC(=O)C(=O)N(c1ccccc1\C=C\C(N)=O)c1ccccc1C(O)=O

InChI Key: InChIKey=FUENBKOULKYZGM-ZHACJKMWSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50486310   
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))
BDBM50486310
PNG
(CHEMBL2235927)
Show SMILES CC(=O)C(=O)N(c1ccccc1\C=C\C(N)=O)c1ccccc1C(O)=O
Show InChI InChI=1S/C19H16N2O5/c1-12(22)18(24)21(16-9-5-3-7-14(16)19(25)26)15-8-4-2-6-13(15)10-11-17(20)23/h2-11H,1H3,(H2,20,23)(H,25,26)/b11-10+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
1.10E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PTP1B (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-010-9365-7
BindingDB Entry DOI: 10.7270/Q25D8VRJ
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50486310
PNG
(CHEMBL2235927)
Show SMILES CC(=O)C(=O)N(c1ccccc1\C=C\C(N)=O)c1ccccc1C(O)=O
Show InChI InChI=1S/C19H16N2O5/c1-12(22)18(24)21(16-9-5-3-7-14(16)19(25)26)15-8-4-2-6-13(15)10-11-17(20)23/h2-11H,1H3,(H2,20,23)(H,25,26)/b11-10+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
1.10E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PTP1B (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-010-9365-7
BindingDB Entry DOI: 10.7270/Q25D8VRJ
More data for this
Ligand-Target Pair