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Compile Data Set for Download or QSAR

Found 16 hits Enz. Inhib. hit(s) with all data for entry = 50017647   
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
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50185011
PNG
((Z)-N-[(1S)-2-hydroxy-1-[(4-hydroxyphenyl)methyl]e...)
Show SMILES OC[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC\C=C/CCOC(=O)c1ccccc1
Show InChI InChI=1S/C28H37NO5/c30-22-25(21-23-16-18-26(31)19-17-23)29-27(32)15-11-6-4-2-1-3-5-7-12-20-34-28(33)24-13-9-8-10-14-24/h5,7-10,13-14,16-19,25,30-31H,1-4,6,11-12,15,20-22H2,(H,29,32)/b7-5-/t25-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Institute of Biomolecular Chemistry

Curated by ChEMBL


Assay Description
Inhibition of [14C]anandamide hydrolysis in rat brain membrane in the presence of UV irradiation


J Med Chem 49: 2320-32 (2006)


Article DOI: 10.1021/jm051226l
BindingDB Entry DOI: 10.7270/Q2CZ36R5
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50185008
PNG
((Z)-N-[(1S)-2-hydroxy-1-[(4-hydroxyphenyl)methyl]e...)
Show SMILES OC[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC\C=C/CCOC(=O)c1cc(I)ccc1N=[N+]=[N-]
Show InChI InChI=1S/C28H35IN4O5/c29-22-13-16-26(32-33-30)25(19-22)28(37)38-17-9-7-5-3-1-2-4-6-8-10-27(36)31-23(20-34)18-21-11-14-24(35)15-12-21/h5,7,11-16,19,23,34-35H,1-4,6,8-10,17-18,20H2,(H,31,36)/b7-5-/t23-/m0/s1
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Institute of Biomolecular Chemistry

Curated by ChEMBL


Assay Description
Inhibition of [14C]anandamide hydrolysis in rat brain membrane in the presence of UV irradiation


J Med Chem 49: 2320-32 (2006)


Article DOI: 10.1021/jm051226l
BindingDB Entry DOI: 10.7270/Q2CZ36R5
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50185014
PNG
((Z)-N-{(1S)-3-chloro-1-[(4-hydroxyphenyl)methyl]pr...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)CCl
Show InChI InChI=1S/C28H44ClNO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(33)30-26(27(32)23-29)22-24-18-20-25(31)21-19-24/h9-10,18-21,26,31H,2-8,11-17,22-23H2,1H3,(H,30,33)/b10-9-/t26-/m0/s1
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Institute of Biomolecular Chemistry

Curated by ChEMBL


Assay Description
Inhibition of [14C]anandamide hydrolysis in rat brain membrane in the presence of UV irradiation


J Med Chem 49: 2320-32 (2006)


Article DOI: 10.1021/jm051226l
BindingDB Entry DOI: 10.7270/Q2CZ36R5
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50185014
PNG
((Z)-N-{(1S)-3-chloro-1-[(4-hydroxyphenyl)methyl]pr...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)CCl
Show InChI InChI=1S/C28H44ClNO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(33)30-26(27(32)23-29)22-24-18-20-25(31)21-19-24/h9-10,18-21,26,31H,2-8,11-17,22-23H2,1H3,(H,30,33)/b10-9-/t26-/m0/s1
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Institute of Biomolecular Chemistry

Curated by ChEMBL


Assay Description
Inhibition of [14C]anandamide hydrolysis in rat brain membrane in the absence of UV irradiation


J Med Chem 49: 2320-32 (2006)


Article DOI: 10.1021/jm051226l
BindingDB Entry DOI: 10.7270/Q2CZ36R5
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50185017
PNG
((Z)-N-{(1R)-3-(2,6-dichlorobenzoyloxy)-1-[(4-hydro...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)COC(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C35H47Cl2NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-33(41)38-31(25-27-21-23-28(39)24-22-27)32(40)26-43-35(42)34-29(36)18-17-19-30(34)37/h9-10,17-19,21-24,31,39H,2-8,11-16,20,25-26H2,1H3,(H,38,41)/b10-9-/t31-/m1/s1
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Institute of Biomolecular Chemistry

Curated by ChEMBL


Assay Description
Inhibition of [14C]anandamide hydrolysis in rat brain membrane in the absence of UV irradiation


J Med Chem 49: 2320-32 (2006)


Article DOI: 10.1021/jm051226l
BindingDB Entry DOI: 10.7270/Q2CZ36R5
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50185015
PNG
((Z)-N-{(1S)-3-(2,6-dichlorobenzoyloxy)-1-[(4-hydro...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)COC(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C35H47Cl2NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-33(41)38-31(25-27-21-23-28(39)24-22-27)32(40)26-43-35(42)34-29(36)18-17-19-30(34)37/h9-10,17-19,21-24,31,39H,2-8,11-16,20,25-26H2,1H3,(H,38,41)/b10-9-/t31-/m0/s1
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Institute of Biomolecular Chemistry

Curated by ChEMBL


Assay Description
Inhibition of [14C]anandamide hydrolysis in rat brain membrane in the absence of UV irradiation


J Med Chem 49: 2320-32 (2006)


Article DOI: 10.1021/jm051226l
BindingDB Entry DOI: 10.7270/Q2CZ36R5
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50185008
PNG
((Z)-N-[(1S)-2-hydroxy-1-[(4-hydroxyphenyl)methyl]e...)
Show SMILES OC[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC\C=C/CCOC(=O)c1cc(I)ccc1N=[N+]=[N-]
Show InChI InChI=1S/C28H35IN4O5/c29-22-13-16-26(32-33-30)25(19-22)28(37)38-17-9-7-5-3-1-2-4-6-8-10-27(36)31-23(20-34)18-21-11-14-24(35)15-12-21/h5,7,11-16,19,23,34-35H,1-4,6,8-10,17-18,20H2,(H,31,36)/b7-5-/t23-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Institute of Biomolecular Chemistry

Curated by ChEMBL


Assay Description
Inhibition of [14C]anandamide hydrolysis in rat brain membrane in the absence of UV irradiation


J Med Chem 49: 2320-32 (2006)


Article DOI: 10.1021/jm051226l
BindingDB Entry DOI: 10.7270/Q2CZ36R5
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50185015
PNG
((Z)-N-{(1S)-3-(2,6-dichlorobenzoyloxy)-1-[(4-hydro...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)COC(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C35H47Cl2NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-33(41)38-31(25-27-21-23-28(39)24-22-27)32(40)26-43-35(42)34-29(36)18-17-19-30(34)37/h9-10,17-19,21-24,31,39H,2-8,11-16,20,25-26H2,1H3,(H,38,41)/b10-9-/t31-/m0/s1
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Institute of Biomolecular Chemistry

Curated by ChEMBL


Assay Description
Inhibition of [14C]anandamide hydrolysis in rat brain membrane in the presence of UV irradiation


J Med Chem 49: 2320-32 (2006)


Article DOI: 10.1021/jm051226l
BindingDB Entry DOI: 10.7270/Q2CZ36R5
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50185020
PNG
((Z)-N-{(1R)-3-chloro-1-[(4-hydroxyphenyl)methyl]pr...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)CCl
Show InChI InChI=1S/C28H44ClNO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(33)30-26(27(32)23-29)22-24-18-20-25(31)21-19-24/h9-10,18-21,26,31H,2-8,11-17,22-23H2,1H3,(H,30,33)/b10-9-/t26-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Institute of Biomolecular Chemistry

Curated by ChEMBL


Assay Description
Inhibition of [14C]anandamide hydrolysis in rat brain membrane in the absence of UV irradiation


J Med Chem 49: 2320-32 (2006)


Article DOI: 10.1021/jm051226l
BindingDB Entry DOI: 10.7270/Q2CZ36R5
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50185017
PNG
((Z)-N-{(1R)-3-(2,6-dichlorobenzoyloxy)-1-[(4-hydro...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)COC(=O)c1c(Cl)cccc1Cl
Show InChI InChI=1S/C35H47Cl2NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-33(41)38-31(25-27-21-23-28(39)24-22-27)32(40)26-43-35(42)34-29(36)18-17-19-30(34)37/h9-10,17-19,21-24,31,39H,2-8,11-16,20,25-26H2,1H3,(H,38,41)/b10-9-/t31-/m1/s1
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Institute of Biomolecular Chemistry

Curated by ChEMBL


Assay Description
Inhibition of [14C]anandamide hydrolysis in rat brain membrane in the presence of UV irradiation


J Med Chem 49: 2320-32 (2006)


Article DOI: 10.1021/jm051226l
BindingDB Entry DOI: 10.7270/Q2CZ36R5
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50185020
PNG
((Z)-N-{(1R)-3-chloro-1-[(4-hydroxyphenyl)methyl]pr...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)CCl
Show InChI InChI=1S/C28H44ClNO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(33)30-26(27(32)23-29)22-24-18-20-25(31)21-19-24/h9-10,18-21,26,31H,2-8,11-17,22-23H2,1H3,(H,30,33)/b10-9-/t26-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Institute of Biomolecular Chemistry

Curated by ChEMBL


Assay Description
Inhibition of [14C]anandamide hydrolysis in rat brain membrane in the presence of UV irradiation


J Med Chem 49: 2320-32 (2006)


Article DOI: 10.1021/jm051226l
BindingDB Entry DOI: 10.7270/Q2CZ36R5
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50185013
PNG
((Z)-N-{(1S)-3-iodo-1-[(4-hydroxyphenyl)methyl]prop...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)CI
Show InChI InChI=1S/C28H44INO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(33)30-26(27(32)23-29)22-24-18-20-25(31)21-19-24/h9-10,18-21,26,31H,2-8,11-17,22-23H2,1H3,(H,30,33)/b10-9-/t26-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Institute of Biomolecular Chemistry

Curated by ChEMBL


Assay Description
Inhibition of [14C]anandamide hydrolysis in rat brain membrane in the presence of UV irradiation


J Med Chem 49: 2320-32 (2006)


Article DOI: 10.1021/jm051226l
BindingDB Entry DOI: 10.7270/Q2CZ36R5
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50185013
PNG
((Z)-N-{(1S)-3-iodo-1-[(4-hydroxyphenyl)methyl]prop...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)CI
Show InChI InChI=1S/C28H44INO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(33)30-26(27(32)23-29)22-24-18-20-25(31)21-19-24/h9-10,18-21,26,31H,2-8,11-17,22-23H2,1H3,(H,30,33)/b10-9-/t26-/m0/s1
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Institute of Biomolecular Chemistry

Curated by ChEMBL


Assay Description
Inhibition of [14C]anandamide hydrolysis in rat brain membrane in the absence of UV irradiation


J Med Chem 49: 2320-32 (2006)


Article DOI: 10.1021/jm051226l
BindingDB Entry DOI: 10.7270/Q2CZ36R5
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50185012
PNG
((Z)-N-{(1R)-3-iodo-1-[(4-hydroxyphenyl)methyl]prop...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)CI
Show InChI InChI=1S/C28H44INO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(33)30-26(27(32)23-29)22-24-18-20-25(31)21-19-24/h9-10,18-21,26,31H,2-8,11-17,22-23H2,1H3,(H,30,33)/b10-9-/t26-/m1/s1
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Institute of Biomolecular Chemistry

Curated by ChEMBL


Assay Description
Inhibition of [14C]anandamide hydrolysis in rat brain membrane in the absence of UV irradiation


J Med Chem 49: 2320-32 (2006)


Article DOI: 10.1021/jm051226l
BindingDB Entry DOI: 10.7270/Q2CZ36R5
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50185011
PNG
((Z)-N-[(1S)-2-hydroxy-1-[(4-hydroxyphenyl)methyl]e...)
Show SMILES OC[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCC\C=C/CCOC(=O)c1ccccc1
Show InChI InChI=1S/C28H37NO5/c30-22-25(21-23-16-18-26(31)19-17-23)29-27(32)15-11-6-4-2-1-3-5-7-12-20-34-28(33)24-13-9-8-10-14-24/h5,7-10,13-14,16-19,25,30-31H,1-4,6,11-12,15,20-22H2,(H,29,32)/b7-5-/t25-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Institute of Biomolecular Chemistry

Curated by ChEMBL


Assay Description
Inhibition of [14C]anandamide hydrolysis in rat brain membrane in the absence of UV irradiation


J Med Chem 49: 2320-32 (2006)


Article DOI: 10.1021/jm051226l
BindingDB Entry DOI: 10.7270/Q2CZ36R5
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50185012
PNG
((Z)-N-{(1R)-3-iodo-1-[(4-hydroxyphenyl)methyl]prop...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)CI
Show InChI InChI=1S/C28H44INO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(33)30-26(27(32)23-29)22-24-18-20-25(31)21-19-24/h9-10,18-21,26,31H,2-8,11-17,22-23H2,1H3,(H,30,33)/b10-9-/t26-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Institute of Biomolecular Chemistry

Curated by ChEMBL


Assay Description
Inhibition of [14C]anandamide hydrolysis in rat brain membrane in the presence of UV irradiation


J Med Chem 49: 2320-32 (2006)


Article DOI: 10.1021/jm051226l
BindingDB Entry DOI: 10.7270/Q2CZ36R5
More data for this
Ligand-Target Pair