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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = '1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-1'   
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
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-1


(RAT)
BDBM19
PNG
((2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(2R,3...)
Show SMILES NC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3N)[C@@H]2O)[C@H](N)[C@@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C23H46N6O13/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22/h5-23,30-36H,1-4,24-29H2/t5-,6+,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1
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Article
PubMed
5.00E+3n/an/an/an/an/an/an/an/a



Temple University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 316: 869-74 (2006)


Article DOI: 10.1124/jpet.105.097303
BindingDB Entry DOI: 10.7270/Q2PN9464
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-1


(RAT)
BDBM86730
PNG
(CAS_77286-66-9 | ET-18-OCH3)
Show SMILES CCCCCCCCCCCCCCCCCCOC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC |r|
Show InChI InChI=1S/C27H58NO6P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-32-25-27(31-5)26-34-35(29,30)33-24-22-28(2,3)4/h27H,6-26H2,1-5H3/t27-/m1/s1
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5.00E+3n/an/an/an/an/an/an/an/a



Temple University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 316: 869-74 (2006)


Article DOI: 10.1124/jpet.105.097303
BindingDB Entry DOI: 10.7270/Q2PN9464
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-1


(Homo sapiens (Human))
BDBM50030627
PNG
((+-)-MCPG | (R,S)-alpha-Methyl-4-carboxyphenylglyc...)
Show SMILES CC(N)(C(O)=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C10H11NO4/c1-10(11,9(14)15)7-4-2-6(3-5-7)8(12)13/h2-5H,11H2,1H3,(H,12,13)(H,14,15)
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n/an/a 1.50E+5n/an/an/an/an/an/a



Università di Perugia

Curated by ChEMBL


Assay Description
Antagonistic activity against phospholipase C (PLC) was determined in adult rat hippocampal slices


J Med Chem 42: 2716-20 (1999)


Article DOI: 10.1021/jm990128v
BindingDB Entry DOI: 10.7270/Q2JD4W00
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-1


(Homo sapiens (Human))
BDBM66976
PNG
((1S,3R)-1-aminocyclopentane-1,3-dicarboxylic acid;...)
Show SMILES N[C@]1(CC[C@H](C1)C(O)=O)C(O)=O
Show InChI InChI=1S/C7H11NO4/c8-7(6(11)12)2-1-4(3-7)5(9)10/h4H,1-3,8H2,(H,9,10)(H,11,12)/t4-,7+/m1/s1
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n/an/an/an/a 5.00E+4n/an/an/an/a



Università di Perugia

Curated by ChEMBL


Assay Description
Agonistic activity against phospholipase C (PLC) was determined in adult rat hippocampal slices


J Med Chem 42: 2716-20 (1999)


Article DOI: 10.1021/jm990128v
BindingDB Entry DOI: 10.7270/Q2JD4W00
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-1


(Homo sapiens (Human))
BDBM50079183
PNG
((2S)-amino(3,5-dihydroxyphenyl)ethanoic acid | (S)...)
Show SMILES N[C@H](C(O)=O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C8H9NO4/c9-7(8(12)13)4-1-5(10)3-6(11)2-4/h1-3,7,10-11H,9H2,(H,12,13)/t7-/m0/s1
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PubMed
n/an/an/an/a 6.50E+4n/an/an/an/a



Università di Perugia

Curated by ChEMBL


Assay Description
Agonistic activity against phospholipase C (PLC) was determined in adult rat hippocampal slices


J Med Chem 42: 2716-20 (1999)


Article DOI: 10.1021/jm990128v
BindingDB Entry DOI: 10.7270/Q2JD4W00
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-1


(Homo sapiens (Human))
BDBM50050924
PNG
((1R,2S,3S)-2-(Amino-carboxy-methyl)-3-phenyl-cyclo...)
Show SMILES NC([C@@H]1[C@@H]([C@H]1c1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C12H13NO4/c13-10(12(16)17)8-7(9(8)11(14)15)6-4-2-1-3-5-6/h1-5,7-10H,13H2,(H,14,15)(H,16,17)/t7-,8-,9+,10?/m0/s1
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n/an/an/an/a>3.00E+5n/an/an/an/a



Università di Perugia

Curated by ChEMBL


Assay Description
Agonistic activity against phospholipase C (PLC) was determined in adult rat hippocampal slices


J Med Chem 42: 2716-20 (1999)


Article DOI: 10.1021/jm990128v
BindingDB Entry DOI: 10.7270/Q2JD4W00
More data for this
Ligand-Target Pair