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Articleid 50028982

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
Inositol monophosphatase 1


(Bos taurus)
BDBM50280487
PNG
(CHEMBL347446 | {Hydroxy-phosphono-[4-(5,6,7,8-tetr...)
Show SMILES OC(c1ccc(Oc2cccc3CCCCc23)cc1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C17H20O8P2/c18-17(26(19,20)21,27(22,23)24)13-8-10-14(11-9-13)25-16-7-3-5-12-4-1-2-6-15(12)16/h3,5,7-11,18H,1-2,4,6H2,(H2,19,20,21)(H2,22,23,24)
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Article
n/an/a 610n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of Inositol monophosphatase


Bioorg Med Chem Lett 2: 627-630 (1992)


Article DOI: 10.1016/S0960-894X(01)81212-9
BindingDB Entry DOI: 10.7270/Q2QF8SSG
More data for this
Ligand-Target Pair
Inositol monophosphatase 1


(Bos taurus)
BDBM50280484
PNG
(CHEMBL156571 | [2-(2,4-Dichloro-phenyl)-1-hydroxy-...)
Show SMILES OC(Cc1ccc(Cl)cc1Cl)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C8H10Cl2O7P2/c9-6-2-1-5(7(10)3-6)4-8(11,18(12,13)14)19(15,16)17/h1-3,11H,4H2,(H2,12,13,14)(H2,15,16,17)
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Article
n/an/a 2.30E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of Inositol monophosphatase


Bioorg Med Chem Lett 2: 627-630 (1992)


Article DOI: 10.1016/S0960-894X(01)81212-9
BindingDB Entry DOI: 10.7270/Q2QF8SSG
More data for this
Ligand-Target Pair
Inositol monophosphatase 1


(Bos taurus)
BDBM50280488
PNG
((Hydroxy-phenyl-phosphono-methyl)-phosphonic acid ...)
Show SMILES OC(c1ccccc1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C7H10O7P2/c8-7(15(9,10)11,16(12,13)14)6-4-2-1-3-5-6/h1-5,8H,(H2,9,10,11)(H2,12,13,14)
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Article
n/an/a 2.90E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of Inositol monophosphatase


Bioorg Med Chem Lett 2: 627-630 (1992)


Article DOI: 10.1016/S0960-894X(01)81212-9
BindingDB Entry DOI: 10.7270/Q2QF8SSG
More data for this
Ligand-Target Pair
Inositol monophosphatase 1


(Bos taurus)
BDBM50280483
PNG
(CHEMBL348519 | [(4-Chloro-phenyl)-hydroxy-phosphon...)
Show SMILES OC(c1ccc(Cl)cc1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C7H9ClO7P2/c8-6-3-1-5(2-4-6)7(9,16(10,11)12)17(13,14)15/h1-4,9H,(H2,10,11,12)(H2,13,14,15)
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n/an/a 3.60E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of Inositol monophosphatase


Bioorg Med Chem Lett 2: 627-630 (1992)


Article DOI: 10.1016/S0960-894X(01)81212-9
BindingDB Entry DOI: 10.7270/Q2QF8SSG
More data for this
Ligand-Target Pair
Inositol monophosphatase 1


(Bos taurus)
BDBM12579
PNG
((1-hydroxy-2-phenyl-1-phosphonoethyl)phosphonic ac...)
Show SMILES OC(Cc1ccccc1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C8H12O7P2/c9-8(16(10,11)12,17(13,14)15)6-7-4-2-1-3-5-7/h1-5,9H,6H2,(H2,10,11,12)(H2,13,14,15)
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Article
n/an/a 3.80E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of Inositol monophosphatase


Bioorg Med Chem Lett 2: 627-630 (1992)


Article DOI: 10.1016/S0960-894X(01)81212-9
BindingDB Entry DOI: 10.7270/Q2QF8SSG
More data for this
Ligand-Target Pair
Inositol monophosphatase 1


(Bos taurus)
BDBM50280485
PNG
(CHEMBL157667 | [Hydroxy-(4-methoxy-phenyl)-phospho...)
Show SMILES COc1ccc(cc1)C(O)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C8H12O8P2/c1-16-7-4-2-6(3-5-7)8(9,17(10,11)12)18(13,14)15/h2-5,9H,1H3,(H2,10,11,12)(H2,13,14,15)
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n/an/a 4.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of Inositol monophosphatase


Bioorg Med Chem Lett 2: 627-630 (1992)


Article DOI: 10.1016/S0960-894X(01)81212-9
BindingDB Entry DOI: 10.7270/Q2QF8SSG
More data for this
Ligand-Target Pair
Inositol monophosphatase 1


(Bos taurus)
BDBM50115102
PNG
((1-Hydroxy-1-phosphono-ethyl)-phosphonic acid | CH...)
Show SMILES CC(O)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C2H8O7P2/c1-2(3,10(4,5)6)11(7,8)9/h3H,1H3,(H2,4,5,6)(H2,7,8,9)
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Article
n/an/a 1.10E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of Inositol monophosphatase


Bioorg Med Chem Lett 2: 627-630 (1992)


Article DOI: 10.1016/S0960-894X(01)81212-9
BindingDB Entry DOI: 10.7270/Q2QF8SSG
More data for this
Ligand-Target Pair
Inositol monophosphatase 1


(Bos taurus)
BDBM50280486
PNG
(CHEMBL350677 | [(4-Dimethylamino-phenyl)-hydroxy-p...)
Show SMILES CN(C)c1ccc(cc1)C(O)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C9H15NO7P2/c1-10(2)8-5-3-7(4-6-8)9(11,18(12,13)14)19(15,16)17/h3-6,11H,1-2H3,(H2,12,13,14)(H2,15,16,17)
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n/an/a 1.40E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration required for 50% inhibition of Inositol monophosphatase


Bioorg Med Chem Lett 2: 627-630 (1992)


Article DOI: 10.1016/S0960-894X(01)81212-9
BindingDB Entry DOI: 10.7270/Q2QF8SSG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%