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BDBM50257294 7-Hydroxy-2-(4'-hydroxyphenyl)-3-[(1,1'-biphenyl-4-yl)methyl]-4H-1-benzopyran-4-one::CHEMBL492717

SMILES: Oc1ccc(cc1)-c1oc2cc(O)ccc2c(=O)c1Cc1ccc(cc1)-c1ccccc1

InChI Key: InChIKey=AMBSKUOANQGADA-UHFFFAOYSA-N

Data: 3 KI  2 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 5 hits for monomerid = 50257294   
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
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM50257294
PNG
(7-Hydroxy-2-(4'-hydroxyphenyl)-3-[(1,1'-biphenyl-4...)
Show SMILES Oc1ccc(cc1)-c1oc2cc(O)ccc2c(=O)c1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C28H20O4/c29-22-12-10-21(11-13-22)28-25(27(31)24-15-14-23(30)17-26(24)32-28)16-18-6-8-20(9-7-18)19-4-2-1-3-5-19/h1-15,17,29-30H,16H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.50E+3n/an/an/an/an/an/an/an/a



University of Modena and R.E.

Curated by ChEMBL


Assay Description
Inhibition of human cloned LMW-PTP isoform 1 expressed in Escherichia coli TB1 by mixed type inhibition assay


Bioorg Med Chem 17: 2658-72 (2009)


Article DOI: 10.1016/j.bmc.2009.02.060
BindingDB Entry DOI: 10.7270/Q2K0745F
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM50257294
PNG
(7-Hydroxy-2-(4'-hydroxyphenyl)-3-[(1,1'-biphenyl-4...)
Show SMILES Oc1ccc(cc1)-c1oc2cc(O)ccc2c(=O)c1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C28H20O4/c29-22-12-10-21(11-13-22)28-25(27(31)24-15-14-23(30)17-26(24)32-28)16-18-6-8-20(9-7-18)19-4-2-1-3-5-19/h1-15,17,29-30H,16H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.80E+3n/an/an/an/an/an/an/an/a



University of Modena and R.E.

Curated by ChEMBL


Assay Description
Inhibition of human cloned LMW-PTP isoform 2 expressed in Escherichia coli TB1 by mixed type inhibition assay


Bioorg Med Chem 17: 2658-72 (2009)


Article DOI: 10.1016/j.bmc.2009.02.060
BindingDB Entry DOI: 10.7270/Q2K0745F
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50257294
PNG
(7-Hydroxy-2-(4'-hydroxyphenyl)-3-[(1,1'-biphenyl-4...)
Show SMILES Oc1ccc(cc1)-c1oc2cc(O)ccc2c(=O)c1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C28H20O4/c29-22-12-10-21(11-13-22)28-25(27(31)24-15-14-23(30)17-26(24)32-28)16-18-6-8-20(9-7-18)19-4-2-1-3-5-19/h1-15,17,29-30H,16H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
2.91E+4n/an/an/an/an/an/an/an/a



University of Modena and R.E.

Curated by ChEMBL


Assay Description
Inhibition of human cloned PTP1B expressed in Escherichia coli TB1 by mixed type inhibition assay


Bioorg Med Chem 17: 2658-72 (2009)


Article DOI: 10.1016/j.bmc.2009.02.060
BindingDB Entry DOI: 10.7270/Q2K0745F
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM50257294
PNG
(7-Hydroxy-2-(4'-hydroxyphenyl)-3-[(1,1'-biphenyl-4...)
Show SMILES Oc1ccc(cc1)-c1oc2cc(O)ccc2c(=O)c1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C28H20O4/c29-22-12-10-21(11-13-22)28-25(27(31)24-15-14-23(30)17-26(24)32-28)16-18-6-8-20(9-7-18)19-4-2-1-3-5-19/h1-15,17,29-30H,16H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.39E+4n/an/an/an/an/an/a



University of Modena and R.E.

Curated by ChEMBL


Assay Description
Inhibition of human cloned LMW-PTP isoform 2 expressed in Escherichia coli TB1


Bioorg Med Chem 17: 2658-72 (2009)


Article DOI: 10.1016/j.bmc.2009.02.060
BindingDB Entry DOI: 10.7270/Q2K0745F
More data for this
Ligand-Target Pair
Low molecular weight phosphotyrosine protein phosphatase


(Homo sapiens (Human))
BDBM50257294
PNG
(7-Hydroxy-2-(4'-hydroxyphenyl)-3-[(1,1'-biphenyl-4...)
Show SMILES Oc1ccc(cc1)-c1oc2cc(O)ccc2c(=O)c1Cc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C28H20O4/c29-22-12-10-21(11-13-22)28-25(27(31)24-15-14-23(30)17-26(24)32-28)16-18-6-8-20(9-7-18)19-4-2-1-3-5-19/h1-15,17,29-30H,16H2
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.70E+3n/an/an/an/an/an/a



University of Modena and R.E.

Curated by ChEMBL


Assay Description
Inhibition of human cloned LMW-PTP isoform 1 expressed in Escherichia coli TB1


Bioorg Med Chem 17: 2658-72 (2009)


Article DOI: 10.1016/j.bmc.2009.02.060
BindingDB Entry DOI: 10.7270/Q2K0745F
More data for this
Ligand-Target Pair