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Found 11 hits Enz. Inhib. hit(s) with Target = 'Type I inositol-1,4,5-trisphosphate 5-phosphatase' 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
Type I inositol-1,4,5-trisphosphate 5-phosphatase


(Homo sapiens)
BDBM50280455
PNG
(Phosphoric acid mono-(2,3,6-trihydroxy-4,5-bis-thi...)
Show SMILES OC1C(O)C(OP([O-])([O-])=S)C(OP([O-])([O-])=S)C(O)C1OP([O-])([O-])=O
Show InChI InChI=1S/C6H15O13P3S2/c7-1-2(8)5(18-21(13,14)23)6(19-22(15,16)24)3(9)4(1)17-20(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,23)(H2,15,16,24)/p-6
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Article
1.30E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
The compound was evaluated for inhibition of Inositol-1,4,5-trisphosphate 5-phosphatase


Citation and Details
More data for this
Ligand-Target Pair
Type I inositol-1,4,5-trisphosphate 5-phosphatase


(Homo sapiens)
BDBM50407003
PNG
(CHEMBL2092837)
Show SMILES OS(=O)(=O)C[C@@H]1CCC(CS(O)(=O)=O)[C@H](CS(O)(=O)=O)C1
Show InChI InChI=1S/C9H18O9S3/c10-19(11,12)4-7-1-2-8(5-20(13,14)15)9(3-7)6-21(16,17)18/h7-9H,1-6H2,(H,10,11,12)(H,13,14,15)(H,16,17,18)/t7-,8?,9+/m1/s1
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3.90E+3n/an/an/an/an/an/an/an/a



Mayo Foundation for Medical Education and Research

Curated by ChEMBL


Assay Description
Tested for inhibition of 5-phosphatase isolated from human erythrocyte membrane


J Med Chem 36: 3035-8 (1993)

More data for this
Ligand-Target Pair
Type I inositol-1,4,5-trisphosphate 5-phosphatase


(Homo sapiens)
BDBM50046068
PNG
(1D-3-deoxy- 1D-myo-Inositol 1,4,5-trisphosphate)
Show SMILES O[C@@H]1CC(OP([O-])([O-])=O)[C@H](OP([O-])([O-])=O)[C@H](O)C1OP([O-])([O-])=O
Show InChI InChI=1S/C6H15O14P3/c7-2-1-3(18-21(9,10)11)6(20-23(15,16)17)4(8)5(2)19-22(12,13)14/h2-8H,1H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)/p-6/t2-,3?,4-,5?,6+/m1/s1
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1.15E+4n/an/an/an/an/an/an/an/a



Mayo Foundation for Medical Education and Research

Curated by ChEMBL


Assay Description
Tested for inhibition of 5-phosphatase isolated from human erythrocyte membrane (S substrate)


J Med Chem 36: 3035-8 (1993)

More data for this
Ligand-Target Pair
Type I inositol-1,4,5-trisphosphate 5-phosphatase


(Homo sapiens)
BDBM50075183
PNG
(1,4,5-Insp3 | 1D-myo-inositol 1,4,5-triphosphate |...)
Show SMILES O[C@@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]1OP(O)(O)=O
Show InChI InChI=1S/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2+,3+,4-,5-,6-/m1/s1
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1.50E+4n/an/an/an/an/an/an/an/a



Mayo Foundation for Medical Education and Research

Curated by ChEMBL


Assay Description
Tested for inhibition of 5-phosphatase isolated from human erythrocyte membrane (S substrate)


J Med Chem 36: 3035-8 (1993)

More data for this
Ligand-Target Pair
Type I inositol-1,4,5-trisphosphate 5-phosphatase


(Homo sapiens)
BDBM50046075
PNG
(1D-2,3,6--trioxy- 1D-myo-Inositol 1,4,5-trisphosph...)
Show SMILES O[C@@H]1C(CCC(OP([O-])([O-])=O)[C@@H]1OP([O-])([O-])=O)OP([O-])([O-])=O
Show InChI InChI=1S/C6H15O13P3/c7-5-3(17-20(8,9)10)1-2-4(18-21(11,12)13)6(5)19-22(14,15)16/h3-7H,1-2H2,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)/p-6/t3?,4?,5-,6+/m1/s1
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1.65E+4n/an/an/an/an/an/an/an/a



Mayo Foundation for Medical Education and Research

Curated by ChEMBL


Assay Description
Tested for inhibition of 5-phosphatase isolated from human erythrocyte membrane (S substrate)


J Med Chem 36: 3035-8 (1993)

More data for this
Ligand-Target Pair
Type I inositol-1,4,5-trisphosphate 5-phosphatase


(Homo sapiens)
BDBM50279840
PNG
((D)-2,2-difluoro-2-deoxy-myo-inositol 1,4,5-tripho...)
Show SMILES OC1C(OP([O-])([O-])=O)C(OP([O-])([O-])=O)C(O)C(F)(F)C1OP([O-])([O-])=O
Show InChI InChI=1S/C6H13F2O14P3/c7-6(8)4(10)3(21-24(14,15)16)2(20-23(11,12)13)1(9)5(6)22-25(17,18)19/h1-5,9-10H,(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)/p-6
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Article
2.60E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Compound was evaluated for binding affinity towards Inositol-1,4,5-trisphosphate 5-phosphatase


Citation and Details
More data for this
Ligand-Target Pair
Type I inositol-1,4,5-trisphosphate 5-phosphatase


(Homo sapiens)
BDBM50046074
PNG
(1D-2,3,6--trideoxy- 1D-myo-Inositol 1,4,5-trisphos...)
Show SMILES [O-]P([O-])(=O)OC1CCC(OP([O-])([O-])=O)[C@@H](C1)OP([O-])([O-])=O
Show InChI InChI=1S/C6H15O12P3/c7-19(8,9)16-4-1-2-5(17-20(10,11)12)6(3-4)18-21(13,14)15/h4-6H,1-3H2,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)/p-6/t4?,5?,6-/m1/s1
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8.14E+4n/an/an/an/an/an/an/an/a



Mayo Foundation for Medical Education and Research

Curated by ChEMBL


Assay Description
Tested for inhibition of 5-phosphatase isolated from human erythrocyte membrane (S substrate)


J Med Chem 36: 3035-8 (1993)

More data for this
Ligand-Target Pair
Type I inositol-1,4,5-trisphosphate 5-phosphatase


(Homo sapiens)
BDBM50046070
PNG
((1R,2R,4R)-Cyclohexane-1,2,4-tris (methlyenephosph...)
Show SMILES [O-]P([O-])(=O)OCC1CCC(COP([O-])([O-])=O)[C@H](COP([O-])([O-])=O)C1
Show InChI InChI=1S/C9H21O12P3/c10-22(11,12)19-4-7-1-2-8(5-20-23(13,14)15)9(3-7)6-21-24(16,17)18/h7-9H,1-6H2,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/p-6/t7?,8?,9-/m0/s1
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1.44E+5n/an/an/an/an/an/an/an/a



Mayo Foundation for Medical Education and Research

Curated by ChEMBL


Assay Description
Tested for inhibition of 5-phosphatase isolated from human erythrocyte membrane (R metabolically resistant)


J Med Chem 36: 3035-8 (1993)

More data for this
Ligand-Target Pair
Type I inositol-1,4,5-trisphosphate 5-phosphatase


(Homo sapiens)
BDBM50046073
PNG
(Benzene-1,2,4-tris (methylenephosphonate))
Show SMILES [O-]P([O-])(=O)Cc1ccc(CP([O-])([O-])=O)c(CP([O-])([O-])=O)c1
Show InChI InChI=1S/C9H15O9P3/c10-19(11,12)4-7-1-2-8(5-20(13,14)15)9(3-7)6-21(16,17)18/h1-3H,4-6H2,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/p-6
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1.48E+5n/an/an/an/an/an/an/an/a



Mayo Foundation for Medical Education and Research

Curated by ChEMBL


Assay Description
Tested for inhibition of 5-phosphatase isolated from human erythrocyte membrane (R metabolically resistant)


J Med Chem 36: 3035-8 (1993)

More data for this
Ligand-Target Pair
Type I inositol-1,4,5-trisphosphate 5-phosphatase


(Homo sapiens)
BDBM50046072
PNG
((1R,2R,4R)-Cyclohexane-1,2,4-tris (methylenephosph...)
Show SMILES [O-]P([O-])(=O)CC1CCC(CP([O-])([O-])=O)[C@H](CP([O-])([O-])=O)C1
Show InChI InChI=1S/C9H21O9P3/c10-19(11,12)4-7-1-2-8(5-20(13,14)15)9(3-7)6-21(16,17)18/h7-9H,1-6H2,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/p-6/t7?,8?,9-/m0/s1
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5.35E+5n/an/an/an/an/an/an/an/a



Mayo Foundation for Medical Education and Research

Curated by ChEMBL


Assay Description
Tested for inhibition of 5-phosphatase isolated from human erythrocyte membrane (R metabolically resistant)


J Med Chem 36: 3035-8 (1993)

More data for this
Ligand-Target Pair
Type I inositol-1,4,5-trisphosphate 5-phosphatase


(Homo sapiens)
BDBM50407004
PNG
(CHEMBL2092922)
Show SMILES OS(=O)(=O)C[C@H]1CCC(CS(O)(=O)=O)[C@H](CS(O)(=O)=O)C1
Show InChI InChI=1S/C9H18O9S3/c10-19(11,12)4-7-1-2-8(5-20(13,14)15)9(3-7)6-21(16,17)18/h7-9H,1-6H2,(H,10,11,12)(H,13,14,15)(H,16,17,18)/t7-,8?,9-/m0/s1
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>1.00E+8n/an/an/an/an/an/an/an/a



Mayo Foundation for Medical Education and Research

Curated by ChEMBL


Assay Description
Tested for inhibition of 5-phosphatase isolated from human erythrocyte membrane (R metabolically resistant)


J Med Chem 36: 3035-8 (1993)

More data for this
Ligand-Target Pair