BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 35 hits Enz. Inhib. hit(s) with Target = 'Receptor-type tyrosine-protein phosphatase S'   
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
Receptor-type tyrosine-protein phosphatase S


(Homo sapiens (Human))		BDBM50456401
PNG
(IRIGENOL)
Show SMILES Oc1cc(cc(O)c1O)-c1coc2cc(O)c(O)c(O)c2c1=O
Show InChI InChI=1S/C15H10O8/c16-7-1-5(2-8(17)13(7)20)6-4-23-10-3-9(18)14(21)15(22)11(10)12(6)19/h1-4,16-18,20-22H
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 500n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP-sigma (residues 1367 to 1948) using para-nitrophenylphosphate as substrate for 60 mins by fluorescence analysis

Bioorg Med Chem Lett 26: 87-93 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.026
BindingDB Entry DOI: 10.7270/Q2M048FV
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase S


(Homo sapiens (Human))		BDBM50131836
PNG
(CHEMBL3633138)
Show SMILES OC(=O)c1ccc(NC(=O)CCCCn2cc(CN(CC(=O)N(Cc3ccc(cc3)C3CCCCC3)c3ccc(C(O)=O)c(O)c3)S(=O)(=O)c3cccc4cccnc34)nn2)cc1O
Show InChI InChI=1S/C46H47N7O10S/c54-39-24-34(18-20-37(39)45(58)59)48-42(56)13-4-5-23-51-27-35(49-50-51)28-52(64(62,63)41-12-6-10-33-11-7-22-47-44(33)41)29-43(57)53(36-19-21-38(46(60)61)40(55)25-36)26-30-14-16-32(17-15-30)31-8-2-1-3-9-31/h6-7,10-12,14-22,24-25,27,31,54-55H,1-5,8-9,13,23,26,28-29H2,(H,48,56)(H,58,59)(H,60,61)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 600n/an/an/an/an/an/a



University of Toronto Mississauga

Curated by ChEMBL


Assay Description
Binding affinity against delta opioid receptor in mouse hot plate test

ACS Med Chem Lett 6: 982-6 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00171
BindingDB Entry DOI: 10.7270/Q2542QDC
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase S


(Homo sapiens (Human))		BDBM23411
PNG
(5,6,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)c(O)c(O)cc2o1
Show InChI InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)11-5-9(17)13-12(21-11)6-10(18)14(19)15(13)20/h1-6,16,18-20H
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 600n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP-sigma (residues 1367 to 1948) using para-nitrophenylphosphate as substrate for 60 mins by fluorescence analysis

Bioorg Med Chem Lett 26: 87-93 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.026
BindingDB Entry DOI: 10.7270/Q2M048FV
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase S


(Homo sapiens (Human))		BDBM50499947
PNG
(CHEMBL3739950)
Show SMILES Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccco1
Show InChI InChI=1S/C13H8O6/c14-6-4-9(8-2-1-3-18-8)19-10-5-7(15)12(16)13(17)11(6)10/h1-5,15-17H
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 800n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP-sigma (residues 1367 to 1948) using para-nitrophenylphosphate as substrate for 60 mins by fluorescence analysis

Bioorg Med Chem Lett 26: 87-93 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.026
BindingDB Entry DOI: 10.7270/Q2M048FV
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase S


(Homo sapiens (Human))		BDBM50499946
PNG
(CHEMBL3740878)
Show SMILES Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccoc1
Show InChI InChI=1S/C13H8O6/c14-7-3-9(6-1-2-18-5-6)19-10-4-8(15)12(16)13(17)11(7)10/h1-5,15-17H
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 900n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP-sigma (residues 1367 to 1948) using para-nitrophenylphosphate as substrate for 60 mins by fluorescence analysis

Bioorg Med Chem Lett 26: 87-93 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.026
BindingDB Entry DOI: 10.7270/Q2M048FV
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase S


(Homo sapiens (Human))		BDBM50131837
PNG
(CHEMBL3633139)
Show SMILES OC(=O)c1ccc(NC(=O)CCCCCn2cc(CN(CC(=O)N(Cc3ccc(cc3)C3CCCCC3)c3ccc(C(O)=O)c(O)c3)S(=O)(=O)c3cccc4cccnc34)nn2)cc1O
Show InChI InChI=1S/C47H49N7O10S/c55-40-25-35(19-21-38(40)46(59)60)49-43(57)14-5-2-6-24-52-28-36(50-51-52)29-53(65(63,64)42-13-7-11-34-12-8-23-48-45(34)42)30-44(58)54(37-20-22-39(47(61)62)41(56)26-37)27-31-15-17-33(18-16-31)32-9-3-1-4-10-32/h7-8,11-13,15-23,25-26,28,32,55-56H,1-6,9-10,14,24,27,29-30H2,(H,49,57)(H,59,60)(H,61,62)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 900n/an/an/an/an/an/a



University of Toronto Mississauga

Curated by ChEMBL


Assay Description
Binding affinity against delta opioid receptor in mouse hot plate test

ACS Med Chem Lett 6: 982-6 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00171
BindingDB Entry DOI: 10.7270/Q2542QDC
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase S


(Homo sapiens (Human))		BDBM26661
PNG
(7,3,4,5-tetrahydroxyflavone | 7-hydroxy-2-(3,4,5-t...)
Show SMILES Oc1ccc2c(c1)oc(cc2=O)-c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C15H10O6/c16-8-1-2-9-10(17)6-13(21-14(9)5-8)7-3-11(18)15(20)12(19)4-7/h1-6,16,18-20H
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP-sigma (residues 1367 to 1948) using para-nitrophenylphosphate as substrate for 60 mins by fluorescence analysis

Bioorg Med Chem Lett 26: 87-93 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.026
BindingDB Entry DOI: 10.7270/Q2M048FV
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase S


(Homo sapiens (Human))		BDBM50353440
PNG
(CHEMBL1829864 | US10196373, Compound 45F)
Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1ccc(C(O)=O)c(O)c1)S(=O)(=O)c1cccc2cccnc12
Show InChI InChI=1S/C32H33N3O6S/c1-34(42(40,41)29-11-5-9-25-10-6-18-33-31(25)29)21-30(37)35(26-16-17-27(32(38)39)28(36)19-26)20-22-12-14-24(15-13-22)23-7-3-2-4-8-23/h5-6,9-19,23,36H,2-4,7-8,20-21H2,1H3,(H,38,39)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 4.30E+3n/an/an/an/an/an/a



University of Toronto Mississauga

Curated by ChEMBL


Assay Description
Binding affinity against delta opioid receptor in mouse hot plate test

ACS Med Chem Lett 6: 982-6 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00171
BindingDB Entry DOI: 10.7270/Q2542QDC
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase S


(Homo sapiens (Human))		BDBM26658
PNG
(2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-1-benzopy...)
Show SMILES Oc1ccc(c(O)c1)-c1oc2cc(O)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents

Similars
Article
PubMed
n/an/a 4.30E+3n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP-sigma (residues 1367 to 1948) using para-nitrophenylphosphate as substrate for 60 mins by fluorescence analysis

Bioorg Med Chem Lett 26: 87-93 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.026
BindingDB Entry DOI: 10.7270/Q2M048FV
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase S


(Homo sapiens (Human))		BDBM50499945
PNG
(CHEMBL3740356)
Show SMILES Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccsc1
Show InChI InChI=1S/C13H8O5S/c14-7-3-9(6-1-2-19-5-6)18-10-4-8(15)12(16)13(17)11(7)10/h1-5,15-17H
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.40E+3n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP-sigma (residues 1367 to 1948) using para-nitrophenylphosphate as substrate for 60 mins by fluorescence analysis

Bioorg Med Chem Lett 26: 87-93 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.026
BindingDB Entry DOI: 10.7270/Q2M048FV
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase S


(Homo sapiens (Human))		BDBM50499944
PNG
(CHEMBL3739990)
Show SMILES COc1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H16O5/c1-26-22-17(24)12-19-20(21(22)25)16(23)11-18(27-19)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-12,24-25H,1H3
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.60E+3n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP-sigma (residues 1367 to 1948) using para-nitrophenylphosphate as substrate for 60 mins by fluorescence analysis

Bioorg Med Chem Lett 26: 87-93 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.026
BindingDB Entry DOI: 10.7270/Q2M048FV
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase S


(Homo sapiens (Human))		BDBM50131835
PNG
(CHEMBL3632914)
Show SMILES OC(=O)c1ccc(NC(=O)CCCn2cc(CN(CC(=O)N(Cc3ccc(cc3)C3CCCCC3)c3ccc(C(O)=O)c(O)c3)S(=O)(=O)c3cccc4cccnc34)nn2)cc1O
Show InChI InChI=1S/C45H45N7O10S/c53-38-23-33(17-19-36(38)44(57)58)47-41(55)12-6-22-50-26-34(48-49-50)27-51(63(61,62)40-11-4-9-32-10-5-21-46-43(32)40)28-42(56)52(35-18-20-37(45(59)60)39(54)24-35)25-29-13-15-31(16-14-29)30-7-2-1-3-8-30/h4-5,9-11,13-21,23-24,26,30,53-54H,1-3,6-8,12,22,25,27-28H2,(H,47,55)(H,57,58)(H,59,60)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 7.90E+3n/an/an/an/an/an/a



University of Toronto Mississauga

Curated by ChEMBL


Assay Description
Binding affinity against delta opioid receptor in mouse hot plate test

ACS Med Chem Lett 6: 982-6 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00171
BindingDB Entry DOI: 10.7270/Q2542QDC
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase S


(Homo sapiens (Human))		BDBM50391109
PNG
(CHEMBL179166 | Sodium orthovanadate (SOV) | Vanada...)
Show SMILES [O-][V]([O-])([O-])=O
Show InChI InChI=1S/4O.V/q;3*-1;
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars
Article
PubMed
n/an/a 8.30E+3n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP-sigma (residues 1367 to 1948) using para-nitrophenylphosphate as substrate for 60 mins by fluorescence analysis

Bioorg Med Chem Lett 26: 87-93 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.026
BindingDB Entry DOI: 10.7270/Q2M048FV
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase S


(Homo sapiens (Human))		BDBM50054344
PNG
(CHEMBL3319356 | US9522881, 11a-1 L97M74 | US984453...)
Show SMILES Cn1c(c(I)c2cc(C(O)=O)c(O)cc12)-c1cccc(NC(=O)C(=O)Nc2ccc(cc2)-c2ccsc2)c1
Show InChI InChI=1S/C28H20IN3O5S/c1-32-22-13-23(33)21(28(36)37)12-20(22)24(29)25(32)16-3-2-4-19(11-16)31-27(35)26(34)30-18-7-5-15(6-8-18)17-9-10-38-14-17/h2-14,33H,1H3,(H,30,34)(H,31,35)(H,36,37)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 8.60E+3n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of PTPsigma (unknown origin)

J Med Chem 57: 6594-609 (2014)


Article DOI: 10.1021/jm5006176
BindingDB Entry DOI: 10.7270/Q24X59FM
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase S


(Homo sapiens (Human))		BDBM50607111
PNG
(CHEMBL5218807)
Show SMILES Cc1c(Br)cc(NC(=O)NS(O)(=O)=O)cc1Br
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01143
BindingDB Entry DOI: 10.7270/Q2BK1HGF
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase S


(Homo sapiens (Human))		BDBM50391109
PNG
(CHEMBL179166 | Sodium orthovanadate (SOV) | Vanada...)
Show SMILES [O-][V]([O-])([O-])=O
Show InChI InChI=1S/4O.V/q;3*-1;
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars
Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Hebei University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTPsigma expressed in Escherichia coli using p-nitrophenyl phosphate as substrate preincubated for 15 mins followed b...

J Nat Prod 82: 2638-2644 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00620
BindingDB Entry DOI: 10.7270/Q2KW5KHH
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase S


(Homo sapiens (Human))		BDBM50391109
PNG
(CHEMBL179166 | Sodium orthovanadate (SOV) | Vanada...)
Show SMILES [O-][V]([O-])([O-])=O
Show InChI InChI=1S/4O.V/q;3*-1;
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars
Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Hebei University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTPsigma expressed in Escherichia coli using p-nitrophenyl phosphate as substrate preincubated for 15 mins followed b...

J Nat Prod 82: 2638-2644 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00620
BindingDB Entry DOI: 10.7270/Q2KW5KHH
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase S


(Homo sapiens (Human))		BDBM50009001
PNG
(5,6,7-Trihydroxyflavone | 5,6,7-trihydroxy-2-pheny...)
Show SMILES Oc1cc2oc(cc(=O)c2c(O)c1O)-c1ccccc1
Show InChI InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents

Similars
Article
PubMed
n/an/a 1.03E+4n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP-sigma (residues 1367 to 1948) using para-nitrophenylphosphate as substrate for 60 mins by fluorescence analysis

Bioorg Med Chem Lett 26: 87-93 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.026
BindingDB Entry DOI: 10.7270/Q2M048FV
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase S


(Homo sapiens (Human))		BDBM50499948
PNG
(CHEMBL3741920)
Show SMILES Oc1cc2oc(cc(=O)c2c(O)c1O)-c1cccs1
Show InChI InChI=1S/C13H8O5S/c14-6-4-8(10-2-1-3-19-10)18-9-5-7(15)12(16)13(17)11(6)9/h1-5,15-17H
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.04E+4n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP-sigma (residues 1367 to 1948) using para-nitrophenylphosphate as substrate for 60 mins by fluorescence analysis

Bioorg Med Chem Lett 26: 87-93 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.026
BindingDB Entry DOI: 10.7270/Q2M048FV
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase S


(Homo sapiens (Human))		BDBM50131834
PNG
(CHEMBL3632913)
Show SMILES OC(=O)c1ccc(NC(=O)CCn2cc(CN(CC(=O)N(Cc3ccc(cc3)C3CCCCC3)c3ccc(C(O)=O)c(O)c3)S(=O)(=O)c3cccc4cccnc34)nn2)cc1O
Show InChI InChI=1S/C44H43N7O10S/c52-37-22-32(15-17-35(37)43(56)57)46-40(54)19-21-49-25-33(47-48-49)26-50(62(60,61)39-10-4-8-31-9-5-20-45-42(31)39)27-41(55)51(34-16-18-36(44(58)59)38(53)23-34)24-28-11-13-30(14-12-28)29-6-2-1-3-7-29/h4-5,8-18,20,22-23,25,29,52-53H,1-3,6-7,19,21,24,26-27H2,(H,46,54)(H,56,57)(H,58,59)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.18E+4n/an/an/an/an/an/a



University of Toronto Mississauga

Curated by ChEMBL


Assay Description
Binding affinity against delta opioid receptor in mouse hot plate test

ACS Med Chem Lett 6: 982-6 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00171
BindingDB Entry DOI: 10.7270/Q2542QDC
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase S


(Homo sapiens (Human))		BDBM50131833
PNG
(CHEMBL3632912)
Show SMILES OC(=O)c1ccc(NC(=O)Cn2cc(CN(CC(=O)N(Cc3ccc(cc3)C3CCCCC3)c3ccc(C(O)=O)c(O)c3)S(=O)(=O)c3cccc4cccnc34)nn2)cc1O
Show InChI InChI=1S/C43H41N7O10S/c51-36-20-31(15-17-34(36)42(55)56)45-39(53)25-48-23-32(46-47-48)24-49(61(59,60)38-10-4-8-30-9-5-19-44-41(30)38)26-40(54)50(33-16-18-35(43(57)58)37(52)21-33)22-27-11-13-29(14-12-27)28-6-2-1-3-7-28/h4-5,8-21,23,28,51-52H,1-3,6-7,22,24-26H2,(H,45,53)(H,55,56)(H,57,58)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.56E+4n/an/an/an/an/an/a



University of Toronto Mississauga

Curated by ChEMBL


Assay Description
Binding affinity against delta opioid receptor in mouse hot plate test

ACS Med Chem Lett 6: 982-6 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00171
BindingDB Entry DOI: 10.7270/Q2542QDC
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase S


(Homo sapiens (Human))		BDBM26656
PNG
(5,7,3,4,5-pentahydroxyflavone | 5,7-dihydroxy-2-(3...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C15H10O7/c16-7-3-8(17)14-9(18)5-12(22-13(14)4-7)6-1-10(19)15(21)11(20)2-6/h1-5,16-17,19-21H
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
Article
PubMed
n/an/a 1.75E+4n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP-sigma (residues 1367 to 1948) using para-nitrophenylphosphate as substrate for 60 mins by fluorescence analysis

Bioorg Med Chem Lett 26: 87-93 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.026
BindingDB Entry DOI: 10.7270/Q2M048FV
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase S


(Homo sapiens (Human))		BDBM50530496
PNG
(CHEMBL4577930)
Show SMILES [H][C@]12Cc3c([nH]c4ccccc34)[C@]1(C)[C@@]1(C)CCC(=O)[C@@]3([H])[C@]4([H])CC(C)(C)[C@@H](O)[C@]4(O)O[C@@]13CC2 |r|
Show InChI InChI=1S/C28H35NO4/c1-24(2)14-18-21-20(30)10-11-25(3)26(4)15(9-12-27(21,25)33-28(18,32)23(24)31)13-17-16-7-5-6-8-19(16)29-22(17)26/h5-8,15,18,21,23,29,31-32H,9-14H2,1-4H3/t15-,18-,21+,23+,25+,26+,27+,28+/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.80E+4n/an/an/an/an/an/a



Hebei University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTPsigma expressed in Escherichia coli using p-nitrophenyl phosphate as substrate preincubated for 15 mins followed b...

J Nat Prod 82: 2638-2644 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00620
BindingDB Entry DOI: 10.7270/Q2KW5KHH
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase S


(Homo sapiens (Human))		BDBM50530496
PNG
(CHEMBL4577930)
Show SMILES [H][C@]12Cc3c([nH]c4ccccc34)[C@]1(C)[C@@]1(C)CCC(=O)[C@@]3([H])[C@]4([H])CC(C)(C)[C@@H](O)[C@]4(O)O[C@@]13CC2 |r|
Show InChI InChI=1S/C28H35NO4/c1-24(2)14-18-21-20(30)10-11-25(3)26(4)15(9-12-27(21,25)33-28(18,32)23(24)31)13-17-16-7-5-6-8-19(16)29-22(17)26/h5-8,15,18,21,23,29,31-32H,9-14H2,1-4H3/t15-,18-,21+,23+,25+,26+,27+,28+/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.80E+4n/an/an/an/an/an/a



Hebei University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTPsigma expressed in Escherichia coli using p-nitrophenyl phosphate as substrate preincubated for 15 mins followed b...

J Nat Prod 82: 2638-2644 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00620
BindingDB Entry DOI: 10.7270/Q2KW5KHH
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase S


(Homo sapiens (Human))		BDBM50558485
PNG
(CHEMBL4800195)
Show SMILES OS(=O)(=O)C(C(=O)Nc1ccc(cc1)-n1ccnc1)c1ccccc1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged PTPsigma (unknown origin) expressed in Escherichia coli BL21 cells using para-nitrophenyl phosphate as substrate incubated f...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00993
BindingDB Entry DOI: 10.7270/Q2DN48Q4
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase S


(Homo sapiens (Human))		BDBM50607110
PNG
(CHEMBL5219519)
Show SMILES Cc1c(Br)cc(NC(=O)CS(O)(=O)=O)cc1Br
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01143
BindingDB Entry DOI: 10.7270/Q2BK1HGF
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase S


(Homo sapiens (Human))		BDBM50558461
PNG
(CHEMBL4760367)
Show SMILES OS(=O)(=O)C(C(=O)Nc1nc2ccc(cc2s1)[N+]([O-])=O)c1ccccc1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged PTPsigma (unknown origin) expressed in Escherichia coli BL21 cells using para-nitrophenyl phosphate as substrate incubated f...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00993
BindingDB Entry DOI: 10.7270/Q2DN48Q4
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase S


(Homo sapiens (Human))		BDBM50558484
PNG
(CHEMBL4748824)
Show SMILES OS(=O)(=O)C(C(=O)Nc1ccc(cc1)N1CCOCC1)c1ccccc1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged PTPsigma (unknown origin) expressed in Escherichia coli BL21 cells using para-nitrophenyl phosphate as substrate incubated f...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00993
BindingDB Entry DOI: 10.7270/Q2DN48Q4
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase S


(Homo sapiens (Human))		BDBM50558487
PNG
(CHEMBL4786243)
Show SMILES OS(=O)(=O)C(C(=O)Nc1ccc(OCc2ccccc2)c(Cl)c1)c1ccccc1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged PTPsigma (unknown origin) expressed in Escherichia coli BL21 cells using para-nitrophenyl phosphate as substrate incubated f...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00993
BindingDB Entry DOI: 10.7270/Q2DN48Q4
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase S


(Homo sapiens (Human))		BDBM50558488
PNG
(CHEMBL4794972)
Show SMILES Cc1c(Br)cc(NC(=O)C(c2ccccc2)S(O)(=O)=O)cc1Br
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged PTPsigma (unknown origin) expressed in Escherichia coli BL21 cells using para-nitrophenyl phosphate as substrate incubated f...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00993
BindingDB Entry DOI: 10.7270/Q2DN48Q4
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase S


(Homo sapiens (Human))		BDBM50558488
PNG
(CHEMBL4794972)
Show SMILES Cc1c(Br)cc(NC(=O)C(c2ccccc2)S(O)(=O)=O)cc1Br
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c01143
BindingDB Entry DOI: 10.7270/Q2BK1HGF
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase S


(Homo sapiens (Human))		BDBM50558483
PNG
(CHEMBL4778085)
Show SMILES OS(=O)(=O)C(C(=O)Nc1cnc2ccccc2c1)c1ccccc1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged PTPsigma (unknown origin) expressed in Escherichia coli BL21 cells using para-nitrophenyl phosphate as substrate incubated f...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00993
BindingDB Entry DOI: 10.7270/Q2DN48Q4
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase S


(Homo sapiens (Human))		BDBM50558482
PNG
(CHEMBL4742123)
Show SMILES OS(=O)(=O)C(C(=O)Nc1nc2ccccc2s1)c1ccccc1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged PTPsigma (unknown origin) expressed in Escherichia coli BL21 cells using para-nitrophenyl phosphate as substrate incubated f...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00993
BindingDB Entry DOI: 10.7270/Q2DN48Q4
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase S


(Homo sapiens (Human))		BDBM50558481
PNG
(CHEMBL4783639)
Show SMILES OS(=O)(=O)C(C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged PTPsigma (unknown origin) expressed in Escherichia coli BL21 cells using para-nitrophenyl phosphate as substrate incubated f...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00993
BindingDB Entry DOI: 10.7270/Q2DN48Q4
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase S


(Homo sapiens (Human))		BDBM50558486
PNG
(CHEMBL4797766)
Show SMILES OS(=O)(=O)C(C(=O)Nc1ccc2nc([nH]c2c1)C(F)(F)F)c1ccccc1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of His-tagged PTPsigma (unknown origin) expressed in Escherichia coli BL21 cells using para-nitrophenyl phosphate as substrate incubated f...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.6b00993
BindingDB Entry DOI: 10.7270/Q2DN48Q4
More data for this
Ligand-Target Pair