Found 12 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Inositol monophosphatase 1
(Bos taurus) | BDBM50286519
(Phosphoric acid mono-{(1R,2R,4R,6R)-2,4-dihydroxy-...)Show SMILES O[C@@H]1C[C@@H](O)[C@@H](OP([O-])([O-])=O)[C@@H](C1)OCCCCc1ccccc1O Show InChI InChI=1S/C16H25O8P/c17-12-9-14(19)16(24-25(20,21)22)15(10-12)23-8-4-3-6-11-5-1-2-7-13(11)18/h1-2,5,7,12,14-19H,3-4,6,8-10H2,(H2,20,21,22)/p-2/t12-,14-,15-,16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against myo-inositol-1-phosphatase |
Bioorg Med Chem Lett 5: 469-474 (1995)
Article DOI: 10.1016/0960-894X(95)00054-W
BindingDB Entry DOI: 10.7270/Q2862GZ8 |
More data for this
Ligand-Target Pair | |
Inositol monophosphatase 1
(Bos taurus) | BDBM50286516
(Phosphoric acid mono-[(1R,2R,4R,6R)-2,4-dihydroxy-...)Show SMILES O[C@@H]1C[C@@H](O)[C@@H](OP([O-])([O-])=O)[C@@H](C1)OCCCc1ccccc1 Show InChI InChI=1S/C15H23O7P/c16-12-9-13(17)15(22-23(18,19)20)14(10-12)21-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,12-17H,4,7-10H2,(H2,18,19,20)/p-2/t12-,13-,14-,15-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against myo-inositol-1-phosphatase |
Bioorg Med Chem Lett 5: 469-474 (1995)
Article DOI: 10.1016/0960-894X(95)00054-W
BindingDB Entry DOI: 10.7270/Q2862GZ8 |
More data for this
Ligand-Target Pair | |
Inositol monophosphatase 1
(Bos taurus) | BDBM50286521
(Phosphoric acid (1R,2R,4R,6R)-2,4-dihydroxy-6-(3-p...)Show SMILES CC(C)OP([O-])(=O)O[C@@H]1[C@H](O)C[C@@H](O)C[C@H]1OCCCCc1ccccc1O Show InChI InChI=1S/C19H31O8P/c1-13(2)26-28(23,24)27-19-17(22)11-15(20)12-18(19)25-10-6-5-8-14-7-3-4-9-16(14)21/h3-4,7,9,13,15,17-22H,5-6,8,10-12H2,1-2H3,(H,23,24)/p-1/t15-,17-,18-,19-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against myo-inositol-1-phosphatase |
Bioorg Med Chem Lett 5: 469-474 (1995)
Article DOI: 10.1016/0960-894X(95)00054-W
BindingDB Entry DOI: 10.7270/Q2862GZ8 |
More data for this
Ligand-Target Pair | |
Inositol monophosphatase 1
(Bos taurus) | BDBM50286526
(Methyl-phosphonic acid mono-[(1R,2R,4R,6R)-2,4-dih...)Show SMILES CP([O-])(=O)O[C@@H]1[C@H](O)C[C@@H](O)C[C@H]1OCCCCc1ccccc1O Show InChI InChI=1S/C17H27O7P/c1-25(21,22)24-17-15(20)10-13(18)11-16(17)23-9-5-4-7-12-6-2-3-8-14(12)19/h2-3,6,8,13,15-20H,4-5,7,9-11H2,1H3,(H,21,22)/p-1/t13-,15-,16-,17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 8.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against myo-inositol-1-phosphatase |
Bioorg Med Chem Lett 5: 469-474 (1995)
Article DOI: 10.1016/0960-894X(95)00054-W
BindingDB Entry DOI: 10.7270/Q2862GZ8 |
More data for this
Ligand-Target Pair | |
Inositol monophosphatase 1
(Bos taurus) | BDBM50286515
(1R,2R,4R,6R)-2,4-dihydroxy-6-[4-(2-hydroxyphenyl)b...)Show SMILES O[C@@H]1C[C@@H](O)[C@@H](OS([O-])(=O)=O)[C@@H](C1)OCCCCc1ccccc1O Show InChI InChI=1S/C16H24O8S/c17-12-9-14(19)16(24-25(20,21)22)15(10-12)23-8-4-3-6-11-5-1-2-7-13(11)18/h1-2,5,7,12,14-19H,3-4,6,8-10H2,(H,20,21,22)/p-1/t12-,14-,15-,16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
| n/a | n/a | 9.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against myo-inositol-1-phosphatase |
Bioorg Med Chem Lett 5: 469-474 (1995)
Article DOI: 10.1016/0960-894X(95)00054-W
BindingDB Entry DOI: 10.7270/Q2862GZ8 |
More data for this
Ligand-Target Pair | |
Inositol monophosphatase 1
(Bos taurus) | BDBM50286517
(Sulfuric acid mono-{(1R,2R,4R,6R)-2,4-dihydroxy-6-...)Show SMILES O[C@@H]1C[C@@H](O)[C@@H](OS([O-])(=O)=O)[C@@H](C1)OCCCCC1CCCCC1=O Show InChI InChI=1S/C16H28O8S/c17-12-9-14(19)16(24-25(20,21)22)15(10-12)23-8-4-3-6-11-5-1-2-7-13(11)18/h11-12,14-17,19H,1-10H2,(H,20,21,22)/p-1/t11?,12-,14-,15-,16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against myo-inositol-1-phosphatase |
Bioorg Med Chem Lett 5: 469-474 (1995)
Article DOI: 10.1016/0960-894X(95)00054-W
BindingDB Entry DOI: 10.7270/Q2862GZ8 |
More data for this
Ligand-Target Pair | |
Inositol monophosphatase 1
(Bos taurus) | BDBM50286518
(CHEMBL142384 | Sulfamic acid (1R,2R,4R,6R)-2,4-dih...)Show SMILES NS(=O)(=O)O[C@@H]1[C@H](O)C[C@@H](O)C[C@H]1OCCCCC1CCCCC1=O Show InChI InChI=1S/C16H29NO7S/c17-25(21,22)24-16-14(20)9-12(18)10-15(16)23-8-4-3-6-11-5-1-2-7-13(11)19/h11-12,14-16,18,20H,1-10H2,(H2,17,21,22)/t11?,12-,14-,15-,16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
| n/a | n/a | 2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against myo-inositol-1-phosphatase |
Bioorg Med Chem Lett 5: 469-474 (1995)
Article DOI: 10.1016/0960-894X(95)00054-W
BindingDB Entry DOI: 10.7270/Q2862GZ8 |
More data for this
Ligand-Target Pair | |
Inositol monophosphatase 1
(Bos taurus) | BDBM50286520
(Acetyl-sulfamic acid (1R,2R,4R,6R)-2,4-dihydroxy-6...)Show SMILES CC(=O)NS(=O)(=O)O[C@@H]1[C@H](O)C[C@@H](O)C[C@H]1OCCCCC1CCCCC1=O Show InChI InChI=1S/C18H31NO8S/c1-12(20)19-28(24,25)27-18-16(23)10-14(21)11-17(18)26-9-5-4-7-13-6-2-3-8-15(13)22/h13-14,16-18,21,23H,2-11H2,1H3,(H,19,20)/t13?,14-,16-,17-,18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
| n/a | n/a | >3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against myo-inositol-1-phosphatase |
Bioorg Med Chem Lett 5: 469-474 (1995)
Article DOI: 10.1016/0960-894X(95)00054-W
BindingDB Entry DOI: 10.7270/Q2862GZ8 |
More data for this
Ligand-Target Pair | |
Inositol monophosphatase 1
(Bos taurus) | BDBM50286525
({(1R,2R,4R,6R)-2,4-Dihydroxy-6-[4-(2-hydroxy-pheny...)Show SMILES O[C@@H]1C[C@@H](O)[C@@H](OCC([O-])=O)[C@@H](C1)OCCCCc1ccccc1O Show InChI InChI=1S/C18H26O7/c19-13-9-15(21)18(25-11-17(22)23)16(10-13)24-8-4-3-6-12-5-1-2-7-14(12)20/h1-2,5,7,13,15-16,18-21H,3-4,6,8-11H2,(H,22,23)/p-1/t13-,15-,16-,18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
| n/a | n/a | >3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for inhibitory activity against myo-inositol-1-phosphatase; weak inhibitor |
Bioorg Med Chem Lett 5: 469-474 (1995)
Article DOI: 10.1016/0960-894X(95)00054-W
BindingDB Entry DOI: 10.7270/Q2862GZ8 |
More data for this
Ligand-Target Pair | |
Inositol monophosphatase 1
(Bos taurus) | BDBM50286524
(CHEMBL143214 | Sulfamic acid (1R,2R,4R,6R)-2,4-dih...)Show SMILES NS(=O)(=O)O[C@@H]1[C@H](O)C[C@@H](O)C[C@H]1OCCCCc1ccccc1O Show InChI InChI=1S/C16H25NO7S/c17-25(21,22)24-16-14(20)9-12(18)10-15(16)23-8-4-3-6-11-5-1-2-7-13(11)19/h1-2,5,7,12,14-16,18-20H,3-4,6,8-10H2,(H2,17,21,22)/t12-,14-,15-,16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
| n/a | n/a | >3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against myo-inositol-1-phosphatase |
Bioorg Med Chem Lett 5: 469-474 (1995)
Article DOI: 10.1016/0960-894X(95)00054-W
BindingDB Entry DOI: 10.7270/Q2862GZ8 |
More data for this
Ligand-Target Pair | |
Inositol monophosphatase 1
(Bos taurus) | BDBM50286523
(Acetyl-sulfamic acid (1R,2R,4R,6R)-2,4-dihydroxy-6...)Show SMILES CC(=O)NS(=O)(=O)O[C@@H]1[C@H](O)C[C@@H](O)C[C@H]1OCCCCc1ccccc1O Show InChI InChI=1S/C18H27NO8S/c1-12(20)19-28(24,25)27-18-16(23)10-14(21)11-17(18)26-9-5-4-7-13-6-2-3-8-15(13)22/h2-3,6,8,14,16-18,21-23H,4-5,7,9-11H2,1H3,(H,19,20)/t14-,16-,17-,18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
| n/a | n/a | >3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against myo-inositol-1-phosphatase |
Bioorg Med Chem Lett 5: 469-474 (1995)
Article DOI: 10.1016/0960-894X(95)00054-W
BindingDB Entry DOI: 10.7270/Q2862GZ8 |
More data for this
Ligand-Target Pair | |
Inositol monophosphatase 1
(Bos taurus) | BDBM50286522
(CHEMBL145479 | Dimethyl-phosphinic acid (1R,2R,4R,...)Show SMILES CP(C)(=O)O[C@@H]1[C@H](O)C[C@@H](O)C[C@H]1OCCCCc1ccccc1O Show InChI InChI=1S/C18H29O6P/c1-25(2,22)24-18-16(21)11-14(19)12-17(18)23-10-6-5-8-13-7-3-4-9-15(13)20/h3-4,7,9,14,16-21H,5-6,8,10-12H2,1-2H3/t14-,16-,17-,18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | >3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibitory activity against myo-inositol-1-phosphatase |
Bioorg Med Chem Lett 5: 469-474 (1995)
Article DOI: 10.1016/0960-894X(95)00054-W
BindingDB Entry DOI: 10.7270/Q2862GZ8 |
More data for this
Ligand-Target Pair | |
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