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BDBM84509 Acyclic analogue, 15

SMILES: COC1=CC(=N\C1=C/c1ccc(CCCCC=C)[nH]1)c1ccc(CCCC=C)s1

InChI Key: InChIKey=IAPHPETVMFIWRV-XLNRJJMWSA-N

Data: 3 IC50

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 3 hits for monomerid = 84509   
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
phosphatase Cdc25


(Homo sapiens (Human))
BDBM84509
PNG
(Acyclic analogue, 15)
Show SMILES COC1=CC(=N\C1=C/c1ccc(CCCCC=C)[nH]1)c1ccc(CCCC=C)s1
Show InChI InChI=1S/C25H30N2OS/c1-4-6-8-10-11-19-13-14-20(26-19)17-22-24(28-3)18-23(27-22)25-16-15-21(29-25)12-9-7-5-2/h4-5,13-18,26H,1-2,6-12H2,3H3/b22-17-
MMDB

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UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+4n/an/an/an/a8.037



Max-Planck-Institut für Kohlenforschung



Assay Description
Enzyme concentrations were chose to yield absorption changes of 0.2 OD at 405 nm within 80 min for 4-nitrophenyl phosphate (pNPP) in the absence of i...


Chembiochem 5: 1575-9 (2004)


Article DOI: 10.1002/cbic.200400135
BindingDB Entry DOI: 10.7270/Q2QF8RCP
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase (VHR)


(Homo sapiens (Human))
BDBM84509
PNG
(Acyclic analogue, 15)
Show SMILES COC1=CC(=N\C1=C/c1ccc(CCCCC=C)[nH]1)c1ccc(CCCC=C)s1
Show InChI InChI=1S/C25H30N2OS/c1-4-6-8-10-11-19-13-14-20(26-19)17-22-24(28-3)18-23(27-22)25-16-15-21(29-25)12-9-7-5-2/h4-5,13-18,26H,1-2,6-12H2,3H3/b22-17-
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.90E+4n/an/an/an/a6.537



Max-Planck-Institut für Kohlenforschung



Assay Description
Enzyme concentrations were chose to yield absorption changes of 0.2 OD at 405 nm within 80 min for 4-nitrophenyl phosphate (pNPP) in the absence of i...


Chembiochem 5: 1575-9 (2004)


Article DOI: 10.1002/cbic.200400135
BindingDB Entry DOI: 10.7270/Q2QF8RCP
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM84509
PNG
(Acyclic analogue, 15)
Show SMILES COC1=CC(=N\C1=C/c1ccc(CCCCC=C)[nH]1)c1ccc(CCCC=C)s1
Show InChI InChI=1S/C25H30N2OS/c1-4-6-8-10-11-19-13-14-20(26-19)17-22-24(28-3)18-23(27-22)25-16-15-21(29-25)12-9-7-5-2/h4-5,13-18,26H,1-2,6-12H2,3H3/b22-17-
PDB
MMDB

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UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.80E+4n/an/an/an/a7.237



Max-Planck-Institut für Kohlenforschung



Assay Description
Enzyme concentrations were chose to yield absorption changes of 0.2 OD at 405 nm within 80 min for 4-nitrophenyl phosphate (pNPP) in the absence of i...


Chembiochem 5: 1575-9 (2004)


Article DOI: 10.1002/cbic.200400135
BindingDB Entry DOI: 10.7270/Q2QF8RCP
More data for this
Ligand-Target Pair