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PubMed code 29019677

Compile data set for download or QSAR
Found 8 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
Transient receptor potential cation channel subfamily M member 2


(Homo sapiens (Human))
BDBM27497
PNG
(2-(dimethylamino)-N-(6-oxo-5,6-dihydrophenanthridi...)
Show SMILES CN(C)CC(=O)Nc1ccc2[nH]c(=O)c3ccccc3c2c1
Show InChI InChI=1S/C17H17N3O2/c1-20(2)10-16(21)18-11-7-8-15-14(9-11)12-5-3-4-6-13(12)17(22)19-15/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22)
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n/an/a 25n/an/an/an/an/an/a



Queen's Center for Biomedical REsearch

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% inhibition against 4-hydroxyphenylpyruvate dioxygenase from pig liver; (observed value)


J Nat Prod 80: 2741-2750 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00515
BindingDB Entry DOI: 10.7270/Q2GH9MHQ
More data for this
Ligand-Target Pair
Phospholipase A2


(Apis mellifera)
BDBM50242184
PNG
(Scalaradial)
Show SMILES [H][C@@]12CC[C@@]3(C)[C@]4([H])CC=C(C=O)[C@H](C=O)[C@@]4(C)[C@H](C[C@]3([H])[C@@]1(C)CCCC2(C)C)OC(C)=O |r,t:9|
Show InChI InChI=1S/C27H40O4/c1-17(30)31-23-14-22-25(4)12-7-11-24(2,3)20(25)10-13-26(22,5)21-9-8-18(15-28)19(16-29)27(21,23)6/h8,15-16,19-23H,7,9-14H2,1-6H3/t19-,20-,21-,22+,23-,25-,26-,27+/m0/s1
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n/an/a 70n/an/an/an/an/an/a



Queen's Center for Biomedical REsearch

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% inhibition against 4-Hydroxyphenylpyruvate dioxygenase (HPPD) from pig liver; (observed value)


J Nat Prod 80: 2741-2750 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00515
BindingDB Entry DOI: 10.7270/Q2GH9MHQ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 2


(Homo sapiens (Human))
BDBM50242184
PNG
(Scalaradial)
Show SMILES [H][C@@]12CC[C@@]3(C)[C@]4([H])CC=C(C=O)[C@H](C=O)[C@@]4(C)[C@H](C[C@]3([H])[C@@]1(C)CCCC2(C)C)OC(C)=O |r,t:9|
Show InChI InChI=1S/C27H40O4/c1-17(30)31-23-14-22-25(4)12-7-11-24(2,3)20(25)10-13-26(22,5)21-9-8-18(15-28)19(16-29)27(21,23)6/h8,15-16,19-23H,7,9-14H2,1-6H3/t19-,20-,21-,22+,23-,25-,26-,27+/m0/s1
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n/an/a 210n/an/an/an/an/an/a



Queen's Center for Biomedical REsearch

Curated by ChEMBL


Assay Description
Inhibition of human FLAG-tagged TRPM2 expressed in HEK293 cells assessed as reduction in ADPR-induced intracellular calcium flux after 30 to 60 mins ...


J Nat Prod 80: 2741-2750 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00515
BindingDB Entry DOI: 10.7270/Q2GH9MHQ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 2


(Rattus norvegicus)
BDBM50242184
PNG
(Scalaradial)
Show SMILES [H][C@@]12CC[C@@]3(C)[C@]4([H])CC=C(C=O)[C@H](C=O)[C@@]4(C)[C@H](C[C@]3([H])[C@@]1(C)CCCC2(C)C)OC(C)=O |r,t:9|
Show InChI InChI=1S/C27H40O4/c1-17(30)31-23-14-22-25(4)12-7-11-24(2,3)20(25)10-13-26(22,5)21-9-8-18(15-28)19(16-29)27(21,23)6/h8,15-16,19-23H,7,9-14H2,1-6H3/t19-,20-,21-,22+,23-,25-,26-,27+/m0/s1
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n/an/a 330n/an/an/an/an/an/a



Queen's Center for Biomedical REsearch

Curated by ChEMBL


Assay Description
Inhibition of TRPM2 in rat INS-1 cells assessed as reduction in ADPR-induced intracellular calcium flux measured after 60 mins by whole cell patch cl...


J Nat Prod 80: 2741-2750 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00515
BindingDB Entry DOI: 10.7270/Q2GH9MHQ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 2


(Homo sapiens (Human))
BDBM27502
PNG
(3,4-dihydro-5-(4-(1-piperidinyl)butoxy)-1(2H)-isoq...)
Show SMILES O=C1NCCc2c(OCCCCN3CCCCC3)cccc12
Show InChI InChI=1S/C18H26N2O2/c21-18-16-7-6-8-17(15(16)9-10-19-18)22-14-5-4-13-20-11-2-1-3-12-20/h6-8H,1-5,9-14H2,(H,19,21)
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n/an/a 600n/an/an/an/an/an/a



Queen's Center for Biomedical REsearch

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% inhibition against 4-hydroxyphenylpyruvate dioxygenase from pig liver; (observed value)


J Nat Prod 80: 2741-2750 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00515
BindingDB Entry DOI: 10.7270/Q2GH9MHQ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 7


(Mus musculus)
BDBM50242184
PNG
(Scalaradial)
Show SMILES [H][C@@]12CC[C@@]3(C)[C@]4([H])CC=C(C=O)[C@H](C=O)[C@@]4(C)[C@H](C[C@]3([H])[C@@]1(C)CCCC2(C)C)OC(C)=O |r,t:9|
Show InChI InChI=1S/C27H40O4/c1-17(30)31-23-14-22-25(4)12-7-11-24(2,3)20(25)10-13-26(22,5)21-9-8-18(15-28)19(16-29)27(21,23)6/h8,15-16,19-23H,7,9-14H2,1-6H3/t19-,20-,21-,22+,23-,25-,26-,27+/m0/s1
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n/an/a 760n/an/an/an/an/an/a



Queen's Center for Biomedical REsearch

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% inhibition against 4-Hydroxyphenylpyruvate dioxygenase (HPPD) from pig liver; (observed value)


J Nat Prod 80: 2741-2750 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00515
BindingDB Entry DOI: 10.7270/Q2GH9MHQ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 2


(Homo sapiens (Human))
BDBM50278349
PNG
(2-(Diphenylboryloxy)Ethanamine | 2-Aminoethoxydiph...)
Show SMILES NCCOB(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C14H16BNO/c16-11-12-17-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12,16H2
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n/an/a 1.00E+3n/an/an/an/an/an/a



Queen's Center for Biomedical REsearch

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% inhibition against 4-Hydroxyphenylpyruvate dioxygenase (HPPD) from pig liver; (observed value)


J Nat Prod 80: 2741-2750 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00515
BindingDB Entry DOI: 10.7270/Q2GH9MHQ
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 2


(Homo sapiens (Human))
BDBM50227083
PNG
(CHEMBL173443)
Show SMILES CCCCCc1ccc(\C=C\C(=O)Nc2ccccc2C(O)=O)cc1
Show InChI InChI=1S/C21H23NO3/c1-2-3-4-7-16-10-12-17(13-11-16)14-15-20(23)22-19-9-6-5-8-18(19)21(24)25/h5-6,8-15H,2-4,7H2,1H3,(H,22,23)(H,24,25)/b15-14+
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n/an/a 4.50E+3n/an/an/an/an/an/a



Queen's Center for Biomedical REsearch

Curated by ChEMBL


Assay Description
Concentration required to achieve 50% inhibition against 4-Hydroxyphenylpyruvate dioxygenase (HPPD) from pig liver; (observed value)


J Nat Prod 80: 2741-2750 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00515
BindingDB Entry DOI: 10.7270/Q2GH9MHQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%