BindingDB logo
myBDB logout

PubMed code 26396684

Compile data set for download or QSAR
Found 15 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))
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
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
1.83E+3n/an/an/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
Tyrosine-protein phosphatase non-receptor type 1


(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
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
5.66E+3n/an/an/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
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50131838
PNG
(CHEMBL3633140)
Show SMILES CC(=O)NCCCSCCNC(=O)[C@@H]1CC[C@@H](CC1)NC(=O)c1nccnc1C(O)=O |r,wU:16.19,13.12,(-13.59,-15.26,;-14.66,-14.64,;-15.72,-15.26,;-14.66,-13.1,;-13.33,-12.33,;-13.33,-10.79,;-12,-10.01,;-12,-8.47,;-10.67,-7.7,;-10.67,-6.16,;-9.34,-5.39,;-9.34,-3.85,;-10.41,-3.23,;-8.01,-3.07,;-6.67,-3.84,;-5.34,-3.07,;-5.34,-1.53,;-6.67,-.76,;-8.01,-1.53,;-4,-.77,;-2.67,-1.54,;-2.67,-2.77,;-1.33,-.77,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;0,-3.08,;-1.06,-3.7,;1.07,-3.7,)|
Show InChI InChI=1S/C20H29N5O5S/c1-13(26)21-7-2-11-31-12-10-24-18(27)14-3-5-15(6-4-14)25-19(28)16-17(20(29)30)23-9-8-22-16/h8-9,14-15H,2-7,10-12H2,1H3,(H,21,26)(H,24,27)(H,25,28)(H,29,30)/t14-,15+
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
4.10E+6n/an/an/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))
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))
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
Tyrosine-protein phosphatase non-receptor type 1


(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
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.70E+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
Tyrosine-protein phosphatase non-receptor type 1


(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
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.30E+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
Tyrosine-protein phosphatase non-receptor type 1


(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
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.40E+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
Tyrosine-protein phosphatase non-receptor type 1


(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
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 3.60E+3n/an/an/an/an/an/a



University of Toronto Mississauga

Curated by ChEMBL


Assay Description
In vitro inhibitory activity towards Coagulation factor X was determined using chromogenic substrate, MeO-COD-CHG-Gly-Arg-pNA


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))
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
Tyrosine-protein phosphatase non-receptor type 1


(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
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 6.10E+3n/an/an/an/an/an/a



University of Toronto Mississauga

Curated by ChEMBL


Assay Description
Inhibition concentration required against caspase-1


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
Tyrosine-protein phosphatase non-receptor type 1


(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
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 6.20E+3n/an/an/an/an/an/a



University of Toronto Mississauga

Curated by ChEMBL


Assay Description
In vitro inhibitory activity towards Coagulation factor X was determined using chromogenic substrate, MeO-COD-CHG-Gly-Arg-pNA


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))
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))
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
* indicates data uncertainty>20%