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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Receptor-type tyrosine-protein phosphatase S' AND taxid = 9606   
Target
(Institution)
LigandTarget
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)
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
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
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


Citation and Details
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase S


(Homo sapiens)
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
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
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


Citation and Details
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase S


(Homo sapiens)
BDBM50353440
PNG
(CHEMBL1829864)
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

AffyNet 
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


Citation and Details
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase S


(Homo sapiens)
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
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
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


Citation and Details
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase S


(Homo sapiens)
BDBM50054344
PNG
(CHEMBL3319356)
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

AffyNet 
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)


Citation and Details
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase S


(Homo sapiens)
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
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
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


Citation and Details
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase S


(Homo sapiens)
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
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
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


Citation and Details
More data for this
Ligand-Target Pair