BindingDB logo
myBDB logout

PubMed code 22133902

Compile data set for download or QSAR
Found 9 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50379185
PNG
(CHEMBL1232859)
Show SMILES N[C@@H](Cc1ccc(cc1)C(F)(F)P(O)(O)=O)C(O)=O |r|
Show InChI InChI=1S/C10H12F2NO5P/c11-10(12,19(16,17)18)7-3-1-6(2-4-7)5-8(13)9(14)15/h1-4,8H,5,13H2,(H,14,15)(H2,16,17,18)/t8-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
 2.40n/an/an/an/an/an/an/an/a



Indiana University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B expressed in Escherichia coli BL21 (DE3) cells using p-nitrophenyl phosphate as substrate after 2 to 3 mins by spectrophotometric...

Bioorg Med Chem 20: 1940-6 (2012)


Article DOI: 10.1016/j.bmc.2011.11.004
BindingDB Entry DOI: 10.7270/Q23J3DZQ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM50379182
PNG
(CHEMBL289069)
Show SMILES OC(=O)c1cc(NCn2c3ccccc3[nH]c2=S)ccc1O
Show InChI InChI=1S/C15H13N3O3S/c19-13-6-5-9(7-10(13)14(20)21)16-8-18-12-4-2-1-3-11(12)17-15(18)22/h1-7,16,19H,8H2,(H,17,22)(H,20,21)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 6.10E+4n/an/an/an/an/an/an/an/a



Indiana University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B expressed in Escherichia coli BL21 (DE3) cells using p-nitrophenyl phosphate as substrate after 2 to 3 mins by spectrophotometric...

Bioorg Med Chem 20: 1940-6 (2012)


Article DOI: 10.1016/j.bmc.2011.11.004
BindingDB Entry DOI: 10.7270/Q23J3DZQ
More data for this
Ligand-Target Pair
Protein-tyrosine-phosphatase


(Yersinia pestis)		BDBM26193
PNG
(2-Hydroxybenzoate, I | 2-hydroxybenzoic acid | CHE...)
Show SMILES OC(=O)c1ccccc1O
Show InChI InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
Article
PubMed
 1.00E+6n/an/an/an/an/an/an/an/a



Indiana University

Curated by ChEMBL


Assay Description
Inhibition of Yersinia pseudotuberculosis YopH

Bioorg Med Chem 20: 1940-6 (2012)


Article DOI: 10.1016/j.bmc.2011.11.004
BindingDB Entry DOI: 10.7270/Q23J3DZQ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))		BDBM26193
PNG
(2-Hydroxybenzoate, I | 2-hydroxybenzoic acid | CHE...)
Show SMILES OC(=O)c1ccccc1O
Show InChI InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
Article
PubMed
 1.94E+7n/an/an/an/an/an/an/an/a



Indiana University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B expressed in Escherichia coli BL21 (DE3) cells using p-nitrophenyl phosphate as substrate after 2 to 3 mins by spectrophotometric...

Bioorg Med Chem 20: 1940-6 (2012)


Article DOI: 10.1016/j.bmc.2011.11.004
BindingDB Entry DOI: 10.7270/Q23J3DZQ
More data for this
Ligand-Target Pair
TYR_PHOSPHATASE_2 domain-containing protein


(Mycobacterium tuberculosis)		BDBM50341986
PNG
(6-hydroxy-3-(1-(2-(4-morpholinophenylamino)-2-oxoe...)
Show SMILES OC(=O)c1cc2c(-c3cn(CC(=O)Nc4ccc(cc4)N4CCOCC4)nn3)c(oc2cc1O)-c1ccccc1
Show InChI InChI=1S/C29H25N5O6/c35-24-15-25-22(14-21(24)29(37)38)27(28(40-25)18-4-2-1-3-5-18)23-16-34(32-31-23)17-26(36)30-19-6-8-20(9-7-19)33-10-12-39-13-11-33/h1-9,14-16,35H,10-13,17H2,(H,30,36)(H,37,38)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.26E+3n/an/an/an/an/an/a



Indiana University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis PTPB

Bioorg Med Chem 20: 1940-6 (2012)


Article DOI: 10.1016/j.bmc.2011.11.004
BindingDB Entry DOI: 10.7270/Q23J3DZQ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))		BDBM50335895
PNG
(6-hydroxy-3-(1-(4-(naphthalen-1-ylamino)-4-oxobuty...)
Show SMILES OC(=O)c1cc2c(-c3cn(CCCC(=O)Nc4cccc5ccccc45)nn3)c(oc2cc1O)-c1ccccc1
Show InChI InChI=1S/C31H24N4O5/c36-26-17-27-23(16-22(26)31(38)39)29(30(40-27)20-9-2-1-3-10-20)25-18-35(34-33-25)15-7-14-28(37)32-24-13-6-11-19-8-4-5-12-21(19)24/h1-6,8-13,16-18,36H,7,14-15H2,(H,32,37)(H,38,39)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 4.60E+3n/an/an/an/an/an/a



Indiana University

Curated by ChEMBL


Assay Description
Inhibition of Lyp-mediated pNPP hydrolysis

Bioorg Med Chem 20: 1940-6 (2012)


Article DOI: 10.1016/j.bmc.2011.11.004
BindingDB Entry DOI: 10.7270/Q23J3DZQ
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11


(Homo sapiens (Human))		BDBM50308158
PNG
(3-(1-(3-(Biphenyl-4-ylamino)-3-oxopropyl)-1H-1,2,3...)
Show SMILES Cn1c(c(-c2cn(CCC(=O)Nc3ccc(cc3)-c3ccccc3)nn2)c2cc(C(O)=O)c(O)cc12)-c1ccccc1
Show InChI InChI=1S/C33H27N5O4/c1-37-28-19-29(39)26(33(41)42)18-25(28)31(32(37)23-10-6-3-7-11-23)27-20-38(36-35-27)17-16-30(40)34-24-14-12-22(13-15-24)21-8-4-2-5-9-21/h2-15,18-20,39H,16-17H2,1H3,(H,34,40)(H,41,42)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Similars
MMDB
PDB
Article
PubMed
n/an/a 5.50E+3n/an/an/an/an/an/a



Indiana University

Curated by ChEMBL


Assay Description
Inhibition of SHP2 expressed in Escherichia coli BL21 (DE3) cells using pNPP as substrate by spectrophotometric analysis

Bioorg Med Chem 20: 1940-6 (2012)


Article DOI: 10.1016/j.bmc.2011.11.004
BindingDB Entry DOI: 10.7270/Q23J3DZQ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Protein-tyrosine-phosphatase


(Yersinia pestis)		BDBM50379184
PNG
(CHEMBL2010868)
Show SMILES OC(=O)c1cc2cccc(O)c2cc1O
Show InChI InChI=1S/C11H8O4/c12-9-3-1-2-6-4-8(11(14)15)10(13)5-7(6)9/h1-5,12-13H,(H,14,15)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.80E+4n/an/an/an/an/an/a



Indiana University

Curated by ChEMBL


Assay Description
Inhibition of Yersinia pseudotuberculosis YopH

Bioorg Med Chem 20: 1940-6 (2012)


Article DOI: 10.1016/j.bmc.2011.11.004
BindingDB Entry DOI: 10.7270/Q23J3DZQ
More data for this
Ligand-Target Pair
Protein-tyrosine-phosphatase


(Yersinia pestis)		BDBM50379183
PNG
(CHEMBL1231350)
Show SMILES OC(=O)c1cc2cc(O)ccc2cc1O
Show InChI InChI=1S/C11H8O4/c12-8-2-1-6-5-10(13)9(11(14)15)4-7(6)3-8/h1-5,12-13H,(H,14,15)
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Similars
Article
PubMed
n/an/a 6.00E+4n/an/an/an/an/an/a



Indiana University

Curated by ChEMBL


Assay Description
Inhibition of Yersinia pseudotuberculosis YopH

Bioorg Med Chem 20: 1940-6 (2012)


Article DOI: 10.1016/j.bmc.2011.11.004
BindingDB Entry DOI: 10.7270/Q23J3DZQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%