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BDBM50257477 7-Hydroxy-2-(4'-hydroxyphenyl)-3-[(4''carboxy-3''-hydroxy-1,1'-biphenyl-4-yl)methyl]-4H-1-benzopyran-4-one::CHEMBL495142

SMILES: OC(=O)c1ccc(cc1O)-c1ccc(Cc2c(oc3cc(O)ccc3c2=O)-c2ccc(O)cc2)cc1

InChI Key: InChIKey=ZWDGDNDJFJXZIW-UHFFFAOYSA-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 = 50257477   
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 (LMWPTP)


(Homo sapiens (Human))
BDBM50257477
PNG
(7-Hydroxy-2-(4'-hydroxyphenyl)-3-[(4''carboxy-3''-...)
Show SMILES OC(=O)c1ccc(cc1O)-c1ccc(Cc2c(oc3cc(O)ccc3c2=O)-c2ccc(O)cc2)cc1
Show InChI InChI=1S/C29H20O7/c30-20-8-5-18(6-9-20)28-24(27(33)23-12-10-21(31)15-26(23)36-28)13-16-1-3-17(4-2-16)19-7-11-22(29(34)35)25(32)14-19/h1-12,14-15,30-32H,13H2,(H,34,35)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.30E+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
Protein-tyrosine phosphatase 1B


(Homo sapiens (human))
BDBM50257477
PNG
(7-Hydroxy-2-(4'-hydroxyphenyl)-3-[(4''carboxy-3''-...)
Show SMILES OC(=O)c1ccc(cc1O)-c1ccc(Cc2c(oc3cc(O)ccc3c2=O)-c2ccc(O)cc2)cc1
Show InChI InChI=1S/C29H20O7/c30-20-8-5-18(6-9-20)28-24(27(33)23-12-10-21(31)15-26(23)36-28)13-16-1-3-17(4-2-16)19-7-11-22(29(34)35)25(32)14-19/h1-12,14-15,30-32H,13H2,(H,34,35)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.00E+3n/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


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 (LMWPTP)


(Homo sapiens (Human))
BDBM50257477
PNG
(7-Hydroxy-2-(4'-hydroxyphenyl)-3-[(4''carboxy-3''-...)
Show SMILES OC(=O)c1ccc(cc1O)-c1ccc(Cc2c(oc3cc(O)ccc3c2=O)-c2ccc(O)cc2)cc1
Show InChI InChI=1S/C29H20O7/c30-20-8-5-18(6-9-20)28-24(27(33)23-12-10-21(31)15-26(23)36-28)13-16-1-3-17(4-2-16)19-7-11-22(29(34)35)25(32)14-19/h1-12,14-15,30-32H,13H2,(H,34,35)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.20E+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 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