BindingDB logo
myBDB logout

Articleid 50029090

Compile data set for download or QSAR
Found 10 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)		BDBM50281360
PNG
(CHEMBL286326 | [2-{3-[(3,4-Dichloro-benzoylamino)-...)
Show SMILES Oc1ccc(OC(Cc2cccc(CNC(=O)c3ccc(Cl)c(Cl)c3)c2)(P(O)(O)=O)P(O)(O)=O)cc1
Show InChI InChI=1S/C22H21Cl2NO9P2/c23-19-9-4-16(11-20(19)24)21(27)25-13-15-3-1-2-14(10-15)12-22(35(28,29)30,36(31,32)33)34-18-7-5-17(26)6-8-18/h1-11,26H,12-13H2,(H,25,27)(H2,28,29,30)(H2,31,32,33)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the inhibitory activity against recombinant bovine brain myo-inositol monophosphatase

Bioorg Med Chem Lett 3: 141-146 (1993)


Article DOI: 10.1016/S0960-894X(01)80864-7
BindingDB Entry DOI: 10.7270/Q2JD4WRV
More data for this
Ligand-Target Pair
Inositol monophosphatase 1


(Bos taurus)		BDBM50281365
PNG
(CHEMBL34819 | [1-(4-Hydroxy-phenoxy)-1-phosphono-e...)
Show SMILES CC(Oc1ccc(O)cc1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C8H12O8P2/c1-8(17(10,11)12,18(13,14)15)16-7-4-2-6(9)3-5-7/h2-5,9H,1H3,(H2,10,11,12)(H2,13,14,15)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Patents

Similars
PDB
Article
n/an/a 330n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the inhibitory activity against recombinant bovine brain myo-inositol monophosphatase

Bioorg Med Chem Lett 3: 141-146 (1993)


Article DOI: 10.1016/S0960-894X(01)80864-7
BindingDB Entry DOI: 10.7270/Q2JD4WRV
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Inositol monophosphatase 1


(Bos taurus)		BDBM50281362
PNG
(CHEMBL416583 | [1-(4-Hydroxy-phenoxy)-2-phenyl-1-p...)
Show SMILES Oc1ccc(OC(Cc2ccccc2)(P(O)(O)=O)P(O)(O)=O)cc1
Show InChI InChI=1S/C14H16O8P2/c15-12-6-8-13(9-7-12)22-14(23(16,17)18,24(19,20)21)10-11-4-2-1-3-5-11/h1-9,15H,10H2,(H2,16,17,18)(H2,19,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents
Article
n/an/a 500n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the inhibitory activity against recombinant bovine brain myo-inositol monophosphatase

Bioorg Med Chem Lett 3: 141-146 (1993)


Article DOI: 10.1016/S0960-894X(01)80864-7
BindingDB Entry DOI: 10.7270/Q2JD4WRV
More data for this
Ligand-Target Pair
Inositol monophosphatase 1


(Bos taurus)		BDBM50281364
PNG
(CHEMBL32381 | [1-((1R,2S,4R)-2,4-Dihydroxy-cyclohe...)
Show SMILES O[C@@H]1CC[C@@H](OC(CCCCCCc2ccccc2)(P(O)(O)=O)P(O)(O)=O)[C@@H](O)C1
Show InChI InChI=1S/C19H32O9P2/c20-16-11-12-18(17(21)14-16)28-19(29(22,23)24,30(25,26)27)13-7-2-1-4-8-15-9-5-3-6-10-15/h3,5-6,9-10,16-18,20-21H,1-2,4,7-8,11-14H2,(H2,22,23,24)(H2,25,26,27)/t16-,17+,18-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 2.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the inhibitory activity against recombinant bovine brain myo-inositol monophosphatase

Bioorg Med Chem Lett 3: 141-146 (1993)


Article DOI: 10.1016/S0960-894X(01)80864-7
BindingDB Entry DOI: 10.7270/Q2JD4WRV
More data for this
Ligand-Target Pair
Inositol monophosphatase 1


(Bos taurus)		BDBM50281357
PNG
(CHEMBL34298 | [1-((1R,2S,4R)-2,4-Dihydroxy-cyclohe...)
Show SMILES CC(O[C@@H]1CC[C@@H](O)C[C@@H]1O)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C8H18O9P2/c1-8(18(11,12)13,19(14,15)16)17-7-3-2-5(9)4-6(7)10/h5-7,9-10H,2-4H2,1H3,(H2,11,12,13)(H2,14,15,16)/t5-,6+,7-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 4.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the inhibitory activity against recombinant bovine brain myo-inositol monophosphatase

Bioorg Med Chem Lett 3: 141-146 (1993)


Article DOI: 10.1016/S0960-894X(01)80864-7
BindingDB Entry DOI: 10.7270/Q2JD4WRV
More data for this
Ligand-Target Pair
Inositol monophosphatase 1


(Bos taurus)		BDBM50281359
PNG
(CHEMBL34977 | [1-(2,4-Dihydroxy-phenoxy)-1-phospho...)
Show SMILES CC(Oc1ccc(O)cc1O)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C8H12O9P2/c1-8(18(11,12)13,19(14,15)16)17-7-3-2-5(9)4-6(7)10/h2-4,9-10H,1H3,(H2,11,12,13)(H2,14,15,16)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
n/an/a 4.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the inhibitory activity against recombinant bovine brain myo-inositol monophosphatase

Bioorg Med Chem Lett 3: 141-146 (1993)


Article DOI: 10.1016/S0960-894X(01)80864-7
BindingDB Entry DOI: 10.7270/Q2JD4WRV
More data for this
Ligand-Target Pair
Inositol monophosphatase 1


(Bos taurus)		BDBM50281358
PNG
(CHEMBL288331 | [1-((1R,2S,4R)-2,4-Dihydroxy-cycloh...)
Show SMILES O[C@@H]1CC[C@@H](OC(Cc2ccccc2)(P(O)(O)=O)P(O)(O)=O)[C@@H](O)C1
Show InChI InChI=1S/C14H22O9P2/c15-11-6-7-13(12(16)8-11)23-14(24(17,18)19,25(20,21)22)9-10-4-2-1-3-5-10/h1-5,11-13,15-16H,6-9H2,(H2,17,18,19)(H2,20,21,22)/t11-,12+,13-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 1.92E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the inhibitory activity against recombinant bovine brain myo-inositol monophosphatase

Bioorg Med Chem Lett 3: 141-146 (1993)


Article DOI: 10.1016/S0960-894X(01)80864-7
BindingDB Entry DOI: 10.7270/Q2JD4WRV
More data for this
Ligand-Target Pair
Inositol monophosphatase 1


(Bos taurus)		BDBM50240448
PNG
(2-(3,4-dichlorophenyl)-1-hydroxyethane-1,1-diyldip...)
Show SMILES OC(Cc1ccc(Cl)c(Cl)c1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C8H10Cl2O7P2/c9-6-2-1-5(3-7(6)10)4-8(11,18(12,13)14)19(15,16)17/h1-3,11H,4H2,(H2,12,13,14)(H2,15,16,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
n/an/a 2.30E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the inhibitory activity against recombinant bovine brain myo-inositol monophosphatase

Bioorg Med Chem Lett 3: 141-146 (1993)


Article DOI: 10.1016/S0960-894X(01)80864-7
BindingDB Entry DOI: 10.7270/Q2JD4WRV
More data for this
Ligand-Target Pair
Inositol monophosphatase 1


(Bos taurus)		BDBM50281361
PNG
(CHEMBL33976 | [(4-Hydroxy-phenoxy)-phosphono-methy...)
Show SMILES Oc1ccc(OC(P(O)(O)=O)P(O)(O)=O)cc1
Show InChI InChI=1S/C7H10O8P2/c8-5-1-3-6(4-2-5)15-7(16(9,10)11)17(12,13)14/h1-4,7-8H,(H2,9,10,11)(H2,12,13,14)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
n/an/a 2.70E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the inhibitory activity against recombinant bovine brain myo-inositol monophosphatase

Bioorg Med Chem Lett 3: 141-146 (1993)


Article DOI: 10.1016/S0960-894X(01)80864-7
BindingDB Entry DOI: 10.7270/Q2JD4WRV
More data for this
Ligand-Target Pair
Inositol monophosphatase 1


(Bos taurus)		BDBM50281363
PNG
(CHEMBL34595 | [(2,4-Dihydroxy-phenoxy)-phosphono-m...)
Show SMILES Oc1ccc(OC(P(O)(O)=O)P(O)(O)=O)c(O)c1
Show InChI InChI=1S/C7H10O9P2/c8-4-1-2-6(5(9)3-4)16-7(17(10,11)12)18(13,14)15/h1-3,7-9H,(H2,10,11,12)(H2,13,14,15)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
n/an/a 4.08E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the inhibitory activity against recombinant bovine brain myo-inositol monophosphatase

Bioorg Med Chem Lett 3: 141-146 (1993)


Article DOI: 10.1016/S0960-894X(01)80864-7
BindingDB Entry DOI: 10.7270/Q2JD4WRV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%