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Compile Data Set for Download or QSAR

Found 21 hits with Last Name = 'lennon' and Initial = 'ic'   
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
Cholecystokinin receptor type A


(RAT)
BDBM50283962
PNG
((S)-1-Benzyl-3,5-bis-(1H-indol-3-ylmethyl)-piperid...)
Show SMILES O=C1C(Cc2c[nH]c3ccccc23)CN(Cc2ccccc2)C[C@@H]1Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C30H29N3O/c34-30-24(14-22-16-31-28-12-6-4-10-26(22)28)19-33(18-21-8-2-1-3-9-21)20-25(30)15-23-17-32-29-13-7-5-11-27(23)29/h1-13,16-17,24-25,31-32H,14-15,18-20H2/t24-,25?/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards CCK-A receptor in rat pancreas using [125I]-Bolton-Hunter CCK-8 as radioligand; Value ranges from 3.5-4.6 uM


Bioorg Med Chem Lett 4: 525-530 (1994)


Article DOI: 10.1016/0960-894X(94)80030-8
BindingDB Entry DOI: 10.7270/Q2BV7GKD
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50283965
PNG
((3R,5S)-1-Benzyl-3,5-bis-(1H-indol-3-ylmethyl)-pip...)
Show SMILES O=C1[C@@H](Cc2c[nH]c3ccccc23)CN(Cc2ccccc2)C[C@H]1Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C30H29N3O/c34-30-24(14-22-16-31-28-12-6-4-10-26(22)28)19-33(18-21-8-2-1-3-9-21)20-25(30)15-23-17-32-29-13-7-5-11-27(23)29/h1-13,16-17,24-25,31-32H,14-15,18-20H2/t24-,25+
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n/an/a 4.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards CCK-A receptor in rat pancreas using [125I]-Bolton-Hunter CCK-8 as radioligand; Value ranges from 3.3-5.4 uM


Bioorg Med Chem Lett 4: 525-530 (1994)


Article DOI: 10.1016/0960-894X(94)80030-8
BindingDB Entry DOI: 10.7270/Q2BV7GKD
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50283963
PNG
(3-(1-Benzyl-4-hydroxy-piperidin-3-ylmethyl)-indole...)
Show SMILES CC(C)(C)OC(=O)n1cc(CC2CN(Cc3ccccc3)CCC2O)c2ccccc12
Show InChI InChI=1S/C26H32N2O3/c1-26(2,3)31-25(30)28-18-20(22-11-7-8-12-23(22)28)15-21-17-27(14-13-24(21)29)16-19-9-5-4-6-10-19/h4-12,18,21,24,29H,13-17H2,1-3H3
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n/an/a 5.20E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards CCK-A receptor in rat pancreas using [125I]-Bolton-Hunter CCK-8 as radioligand; Value ranges from 4.1-6.4 uM


Bioorg Med Chem Lett 4: 525-530 (1994)


Article DOI: 10.1016/0960-894X(94)80030-8
BindingDB Entry DOI: 10.7270/Q2BV7GKD
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50283961
PNG
(3-[1-Benzyl-4-(diethoxy-phosphoryloxy)-1,2,3,6-tet...)
Show SMILES CCOP(=O)(OCC)OC1=CCN(Cc2ccccc2)CC1Cc1cn(C(=O)OC(C)(C)C)c2ccccc12 |t:9|
Show InChI InChI=1S/C30H39N2O6P/c1-6-35-39(34,36-7-2)38-28-17-18-31(20-23-13-9-8-10-14-23)21-25(28)19-24-22-32(29(33)37-30(3,4)5)27-16-12-11-15-26(24)27/h8-17,22,25H,6-7,18-21H2,1-5H3
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n/an/a 5.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards CCK-A receptor in rat pancreas using [125I]-Bolton-Hunter CCK-8 as radioligand; Value ranges from 4.7-7.1 uM


Bioorg Med Chem Lett 4: 525-530 (1994)


Article DOI: 10.1016/0960-894X(94)80030-8
BindingDB Entry DOI: 10.7270/Q2BV7GKD
More data for this
Ligand-Target Pair
Substance-K receptor


(HAMSTER)
BDBM50283960
PNG
(1-Benzyl-3-(1H-indol-3-ylmethyl)-piperidin-4-one |...)
Show SMILES O=C1CCN(Cc2ccccc2)CC1Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C21H22N2O/c24-21-10-11-23(14-16-6-2-1-3-7-16)15-18(21)12-17-13-22-20-9-5-4-8-19(17)20/h1-9,13,18,22H,10-12,14-15H2
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n/an/a 6.80E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Tachykinin receptor 2 in hamster urinary bladder using [125I]-Neurokinin A as radioligand; Value ranges from 4.6-9.0 uM


Bioorg Med Chem Lett 4: 525-530 (1994)


Article DOI: 10.1016/0960-894X(94)80030-8
BindingDB Entry DOI: 10.7270/Q2BV7GKD
More data for this
Ligand-Target Pair
Substance-K receptor


(HAMSTER)
BDBM50283964
PNG
(3-Benzyl-1-(3-1H-indol-3-yl-propionyl)-piperidin-4...)
Show SMILES O=C(CCc1c[nH]c2ccccc12)N1CCC(=O)C(Cc2ccccc2)C1
Show InChI InChI=1S/C23H24N2O2/c26-22-12-13-25(16-19(22)14-17-6-2-1-3-7-17)23(27)11-10-18-15-24-21-9-5-4-8-20(18)21/h1-9,15,19,24H,10-14,16H2
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n/an/a 6.90E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Tachykinin receptor 2 in hamster urinary bladder using [125I]-Neurokinin A as radioligand; Value ranges from 2.6-11 uM


Bioorg Med Chem Lett 4: 525-530 (1994)


Article DOI: 10.1016/0960-894X(94)80030-8
BindingDB Entry DOI: 10.7270/Q2BV7GKD
More data for this
Ligand-Target Pair
Inositol monophosphatase 1


(Bos taurus)
BDBM50280841
PNG
(((1S,2R,4S)-2,4-Dihydroxy-cyclohexyl)-phosphonic a...)
Show SMILES O[C@H]1CC[C@@H](C(=O)C1)P(O)(O)O
Show InChI InChI=1S/C6H13O5P/c7-4-1-2-6(5(8)3-4)12(9,10)11/h4,6-7,9-12H,1-3H2/t4-,6-/m0/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the inhibitory activity against bovine inositol monophosphatase by measuring concentration inhibiting the production of [14C]-inositol fro...


Bioorg Med Chem Lett 3: 1925-1930 (1993)


Article DOI: 10.1016/S0960-894X(01)80988-4
BindingDB Entry DOI: 10.7270/Q2ZS2WFK
More data for this
Ligand-Target Pair
Substance-P receptor


(GUINEA PIG)
BDBM50283959
PNG
(3-Benzyl-4-oxo-piperidine-1-carboxylic acid benzyl...)
Show SMILES O=C(OCc1ccccc1)N1CCC(=O)C(Cc2ccccc2)C1
Show InChI InChI=1S/C20H21NO3/c22-19-11-12-21(14-18(19)13-16-7-3-1-4-8-16)20(23)24-15-17-9-5-2-6-10-17/h1-10,18H,11-15H2
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n/an/a 8.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards NK-1 receptor in guinea pig cerebral cortex using [125I]-Bolton-Hunter substance P as radioligand; Value ranges from 7.3-8.8...


Bioorg Med Chem Lett 4: 525-530 (1994)


Article DOI: 10.1016/0960-894X(94)80030-8
BindingDB Entry DOI: 10.7270/Q2BV7GKD
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(MOUSE)
BDBM50283961
PNG
(3-[1-Benzyl-4-(diethoxy-phosphoryloxy)-1,2,3,6-tet...)
Show SMILES CCOP(=O)(OCC)OC1=CCN(Cc2ccccc2)CC1Cc1cn(C(=O)OC(C)(C)C)c2ccccc12 |t:9|
Show InChI InChI=1S/C30H39N2O6P/c1-6-35-39(34,36-7-2)38-28-17-18-31(20-23-13-9-8-10-14-23)21-25(28)19-24-22-32(29(33)37-30(3,4)5)27-16-12-11-15-26(24)27/h8-17,22,25H,6-7,18-21H2,1-5H3
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n/an/a 8.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards CCK-B receptor in mouse cerebral cortex using [125I]-Bolton-Hunter CCK-8 as radioligand; Value ranges from 7.8-9.3 uM


Bioorg Med Chem Lett 4: 525-530 (1994)


Article DOI: 10.1016/0960-894X(94)80030-8
BindingDB Entry DOI: 10.7270/Q2BV7GKD
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(GUINEA PIG)
BDBM50283966
PNG
((S)-1-Benzyl-3-(1H-indol-3-ylmethyl)-piperidin-4-o...)
Show SMILES OC1CCN(Cc2ccccc2)C[C@@H]1Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C21H24N2O/c24-21-10-11-23(14-16-6-2-1-3-7-16)15-18(21)12-17-13-22-20-9-5-4-8-19(17)20/h1-9,13,18,21-22,24H,10-12,14-15H2/t18-,21?/m0/s1
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n/an/a 8.80E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Tachykinin receptor 3 in guinea pig cerebral cortex using [3H]-Senktide as radioligand; Value ranges from 8.2-9.4 uM


Bioorg Med Chem Lett 4: 525-530 (1994)


Article DOI: 10.1016/0960-894X(94)80030-8
BindingDB Entry DOI: 10.7270/Q2BV7GKD
More data for this
Ligand-Target Pair
Neuromedin-K receptor


(GUINEA PIG)
BDBM50283960
PNG
(1-Benzyl-3-(1H-indol-3-ylmethyl)-piperidin-4-one |...)
Show SMILES O=C1CCN(Cc2ccccc2)CC1Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C21H22N2O/c24-21-10-11-23(14-16-6-2-1-3-7-16)15-18(21)12-17-13-22-20-9-5-4-8-19(17)20/h1-9,13,18,22H,10-12,14-15H2
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n/an/a 1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards Tachykinin receptor 3 in guinea pig cerebral cortex using [3H]-Senktide as radioligand; Value ranges from 5.8-14u M


Bioorg Med Chem Lett 4: 525-530 (1994)


Article DOI: 10.1016/0960-894X(94)80030-8
BindingDB Entry DOI: 10.7270/Q2BV7GKD
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50283959
PNG
(3-Benzyl-4-oxo-piperidine-1-carboxylic acid benzyl...)
Show SMILES O=C(OCc1ccccc1)N1CCC(=O)C(Cc2ccccc2)C1
Show InChI InChI=1S/C20H21NO3/c22-19-11-12-21(14-18(19)13-16-7-3-1-4-8-16)20(23)24-15-17-9-5-2-6-10-17/h1-10,18H,11-15H2
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n/an/a 1.30E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards CCK-A receptor in rat pancreas using [125I]-Bolton-Hunter CCK-8 as radioligand; Value ranges from 11-16 uM


Bioorg Med Chem Lett 4: 525-530 (1994)


Article DOI: 10.1016/0960-894X(94)80030-8
BindingDB Entry DOI: 10.7270/Q2BV7GKD
More data for this
Ligand-Target Pair
Gastrin/cholecystokinin type B receptor


(MOUSE)
BDBM50283965
PNG
((3R,5S)-1-Benzyl-3,5-bis-(1H-indol-3-ylmethyl)-pip...)
Show SMILES O=C1[C@@H](Cc2c[nH]c3ccccc23)CN(Cc2ccccc2)C[C@H]1Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C30H29N3O/c34-30-24(14-22-16-31-28-12-6-4-10-26(22)28)19-33(18-21-8-2-1-3-9-21)20-25(30)15-23-17-32-29-13-7-5-11-27(23)29/h1-13,16-17,24-25,31-32H,14-15,18-20H2/t24-,25+
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n/an/a 1.50E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards CCK-B receptor in mouse cerebral cortex using [125I]-Bolton-Hunter CCK-8 as radioligand; Value ranges from 9.8-25 uM


Bioorg Med Chem Lett 4: 525-530 (1994)


Article DOI: 10.1016/0960-894X(94)80030-8
BindingDB Entry DOI: 10.7270/Q2BV7GKD
More data for this
Ligand-Target Pair
Cholecystokinin receptor type A


(RAT)
BDBM50283960
PNG
(1-Benzyl-3-(1H-indol-3-ylmethyl)-piperidin-4-one |...)
Show SMILES O=C1CCN(Cc2ccccc2)CC1Cc1c[nH]c2ccccc12
Show InChI InChI=1S/C21H22N2O/c24-21-10-11-23(14-16-6-2-1-3-7-16)15-18(21)12-17-13-22-20-9-5-4-8-19(17)20/h1-9,13,18,22H,10-12,14-15H2
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n/an/a 1.60E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity towards CCK-A receptor in rat pancreas using [125I]-Bolton-Hunter CCK-8 as radioligand; Value ranges from 12-20 uM


Bioorg Med Chem Lett 4: 525-530 (1994)


Article DOI: 10.1016/0960-894X(94)80030-8
BindingDB Entry DOI: 10.7270/Q2BV7GKD
More data for this
Ligand-Target Pair
Inositol monophosphatase 1


(Bos taurus)
BDBM50280838
PNG
(CHEMBL60627 | Phosphoric acid mono-((1S,2R,3S)-2-h...)
Show SMILES OC[C@@H]1CC[C@H](OP(O)(O)=O)[C@@H]1O
Show InChI InChI=1S/C6H13O6P/c7-3-4-1-2-5(6(4)8)12-13(9,10)11/h4-8H,1-3H2,(H2,9,10,11)/t4-,5-,6+/m0/s1
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n/an/a 3.10E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the inhibitory activity against bovine inositol monophosphatase by measuring concentration inhibiting the production of [14C]-inositol fro...


Bioorg Med Chem Lett 3: 1925-1930 (1993)


Article DOI: 10.1016/S0960-894X(01)80988-4
BindingDB Entry DOI: 10.7270/Q2ZS2WFK
More data for this
Ligand-Target Pair
Inositol monophosphatase 1


(Bos taurus)
BDBM11940
PNG
(2-AMP | 2-Adenylic acid | Adenosine 2-monophosphat...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OP(O)(O)=O
Show InChI InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(22-23(18,19)20)6(17)4(1-16)21-10/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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n/an/a 1.30E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the inhibitory activity against bovine inositol monophosphatase by measuring concentration inhibiting the production of [14C]-inositol fro...


Bioorg Med Chem Lett 3: 1925-1930 (1993)


Article DOI: 10.1016/S0960-894X(01)80988-4
BindingDB Entry DOI: 10.7270/Q2ZS2WFK
More data for this
Ligand-Target Pair
Inositol monophosphatase 1


(Bos taurus)
BDBM50280839
PNG
(CHEMBL56494 | Phosphoric acid mono-((3R,4S,5S)-4-h...)
Show SMILES OC[C@@H]1OC[C@@H](OP(O)(O)=O)[C@H]1O
Show InChI InChI=1S/C5H11O7P/c6-1-3-5(7)4(2-11-3)12-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+,5-/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Tested for the inhibitory activity against bovine inositol monophosphatase by measuring concentration inhibiting the production of [14C]-inositol fro...


Bioorg Med Chem Lett 3: 1925-1930 (1993)


Article DOI: 10.1016/S0960-894X(01)80988-4
BindingDB Entry DOI: 10.7270/Q2ZS2WFK
More data for this
Ligand-Target Pair
Inositol monophosphatase 1


(Bos taurus)
BDBM50280836
PNG
(CHEMBL56834 | Phosphoric acid mono-((1S,2R,3R)-2-h...)
Show SMILES OC[C@H]1CC[C@H](OP(O)(O)=O)[C@@H]1O
Show InChI InChI=1S/C6H13O6P/c7-3-4-1-2-5(6(4)8)12-13(9,10)11/h4-8H,1-3H2,(H2,9,10,11)/t4-,5+,6-/m1/s1
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n/an/a 2.10E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the inhibitory activity against bovine inositol monophosphatase by measuring concentration inhibiting the production of [14C]-inositol fro...


Bioorg Med Chem Lett 3: 1925-1930 (1993)


Article DOI: 10.1016/S0960-894X(01)80988-4
BindingDB Entry DOI: 10.7270/Q2ZS2WFK
More data for this
Ligand-Target Pair
Inositol monophosphatase 1


(Bos taurus)
BDBM50280840
PNG
(CHEMBL291991 | Phosphoric acid mono-((3S,4R,5R)-4-...)
Show SMILES OC[C@H]1OC[C@H](OP(O)(O)=O)[C@@H]1O
Show InChI InChI=1S/C5H11O7P/c6-1-3-5(7)4(2-11-3)12-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+,5-/m1/s1
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n/an/a 2.90E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the inhibitory activity against bovine inositol monophosphatase by measuring concentration inhibiting the production of [14C]-inositol fro...


Bioorg Med Chem Lett 3: 1925-1930 (1993)


Article DOI: 10.1016/S0960-894X(01)80988-4
BindingDB Entry DOI: 10.7270/Q2ZS2WFK
More data for this
Ligand-Target Pair
Inositol monophosphatase 1


(Bos taurus)
BDBM50280842
PNG
(CHEMBL294439 | Phosphoric acid mono-((3S,4R)-4-hyd...)
Show SMILES O[C@@H]1COC[C@@H]1OP(O)(O)=O
Show InChI InChI=1S/C4H9O6P/c5-3-1-9-2-4(3)10-11(6,7)8/h3-5H,1-2H2,(H2,6,7,8)/t3-,4+/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 3.60E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the inhibitory activity against bovine inositol monophosphatase by measuring concentration inhibiting the production of [14C]-inositol fro...


Bioorg Med Chem Lett 3: 1925-1930 (1993)


Article DOI: 10.1016/S0960-894X(01)80988-4
BindingDB Entry DOI: 10.7270/Q2ZS2WFK
More data for this
Ligand-Target Pair
Inositol monophosphatase 1


(Bos taurus)
BDBM50280837
PNG
(CHEMBL57928 | Phosphoric acid mono-((1S,2R)-2-hydr...)
Show SMILES O[C@@H]1CCC[C@@H]1OP(O)(O)=O
Show InChI InChI=1S/C5H11O5P/c6-4-2-1-3-5(4)10-11(7,8)9/h4-6H,1-3H2,(H2,7,8,9)/t4-,5+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 5.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the inhibitory activity against bovine inositol monophosphatase by measuring concentration inhibiting the production of [14C]-inositol fro...


Bioorg Med Chem Lett 3: 1925-1930 (1993)


Article DOI: 10.1016/S0960-894X(01)80988-4
BindingDB Entry DOI: 10.7270/Q2ZS2WFK
More data for this
Ligand-Target Pair