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BDBM50326160 8-[2-(3,5-Dibromo-4-(1-carboxy-2-phenylethoxy)phenyl)thiazol-4-yl]dibenzo[b,d]furan-4-carboxylic acid::CHEMBL1241314

SMILES: OC(=O)[C@@H](Cc1ccccc1)C(=O)c1c(Br)cc(cc1Br)-c1nc(cs1)-c1ccc2oc3c(cccc3c2c1)C(O)=O

InChI Key: InChIKey=GNHGGGIKJQDMFD-QFIPXVFZSA-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 = 50326160   
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
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50326160
PNG
(8-[2-(3,5-Dibromo-4-(1-carboxy-2-phenylethoxy)phen...)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)C(=O)c1c(Br)cc(cc1Br)-c1nc(cs1)-c1ccc2oc3c(cccc3c2c1)C(O)=O |r|
Show InChI InChI=1S/C32H19Br2NO6S/c33-23-13-18(14-24(34)27(23)28(36)22(32(39)40)11-16-5-2-1-3-6-16)30-35-25(15-42-30)17-9-10-26-21(12-17)19-7-4-8-20(31(37)38)29(19)41-26/h1-10,12-15,22H,11H2,(H,37,38)(H,39,40)/t22-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 177n/an/an/an/an/an/a



Glenmark Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B after 30 mins by spectrophotometry


Eur J Med Chem 45: 3709-18 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.020
BindingDB Entry DOI: 10.7270/Q24Q7V6S
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase F (LAR)


(Homo sapiens (Human))
BDBM50326160
PNG
(8-[2-(3,5-Dibromo-4-(1-carboxy-2-phenylethoxy)phen...)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)C(=O)c1c(Br)cc(cc1Br)-c1nc(cs1)-c1ccc2oc3c(cccc3c2c1)C(O)=O |r|
Show InChI InChI=1S/C32H19Br2NO6S/c33-23-13-18(14-24(34)27(23)28(36)22(32(39)40)11-16-5-2-1-3-6-16)30-35-25(15-42-30)17-9-10-26-21(12-17)19-7-4-8-20(31(37)38)29(19)41-26/h1-10,12-15,22H,11H2,(H,37,38)(H,39,40)/t22-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.57E+3n/an/an/an/an/an/a



Glenmark Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant LAR after 30 mins by spectrophotometry


Eur J Med Chem 45: 3709-18 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.020
BindingDB Entry DOI: 10.7270/Q24Q7V6S
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 2


(Homo sapiens (Human))
BDBM50326160
PNG
(8-[2-(3,5-Dibromo-4-(1-carboxy-2-phenylethoxy)phen...)
Show SMILES OC(=O)[C@@H](Cc1ccccc1)C(=O)c1c(Br)cc(cc1Br)-c1nc(cs1)-c1ccc2oc3c(cccc3c2c1)C(O)=O |r|
Show InChI InChI=1S/C32H19Br2NO6S/c33-23-13-18(14-24(34)27(23)28(36)22(32(39)40)11-16-5-2-1-3-6-16)30-35-25(15-42-30)17-9-10-26-21(12-17)19-7-4-8-20(31(37)38)29(19)41-26/h1-10,12-15,22H,11H2,(H,37,38)(H,39,40)/t22-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.14E+3n/an/an/an/an/an/a



Glenmark Research Center

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TCPTP after 30 mins by spectrophotometry


Eur J Med Chem 45: 3709-18 (2010)


Article DOI: 10.1016/j.ejmech.2010.05.020
BindingDB Entry DOI: 10.7270/Q24Q7V6S
More data for this
Ligand-Target Pair