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Patent code US10300048

Compile Data Set for Download or QSAR
Found 73 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
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM391624
PNG
(US10300048, ETI-T-351)
Show SMILES Cc1ccc(cc1)\N=C1/S\C(=C/c2ccc(O)cc2)C(=O)N1c1ccc(C)cc1
Show InChI InChI=1S/C24H20N2O2S/c1-16-3-9-19(10-4-16)25-24-26(20-11-5-17(2)6-12-20)23(28)22(29-24)15-18-7-13-21(27)14-8-18/h3-15,27H,1-2H3/b22-15-,25-24-
PDB

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n/an/a 68n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Screening for AEA cellular uptake inhibition was performed in a semi-automated procedure: Pipetting and washing steps were performed by a Biomek3000 ...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM391599
PNG
(ETI-T-351 | US10300048, Compound 1 | US10300048, E...)
Show SMILES CCOc1cc(\C=C2/S\C(=N/c3ccc(C)cc3)N(C2=O)c2ccc(C)cc2)ccc1O
Show InChI InChI=1S/C26H24N2O3S/c1-4-31-23-15-19(9-14-22(23)29)16-24-25(30)28(21-12-7-18(3)8-13-21)26(32-24)27-20-10-5-17(2)6-11-20/h5-16,29H,4H2,1-3H3/b24-16-,27-26-
PDB

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n/an/a 68n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Screening for AEA cellular uptake inhibition was performed in a semi-automated procedure: Pipetting and washing steps were performed by a Biomek3000 ...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM391600
PNG
(ETI-T-255 | US10300048, Compound 2 | US10300048, E...)
Show SMILES CCOc1cc(\C=C2/S\C(=N/c3ccc(F)cc3)N(C2=O)c2ccc(F)cc2)ccc1O
Show InChI InChI=1S/C24H18F2N2O3S/c1-2-31-21-13-15(3-12-20(21)29)14-22-23(30)28(19-10-6-17(26)7-11-19)24(32-22)27-18-8-4-16(25)5-9-18/h3-14,29H,2H2,1H3/b22-14-,27-24-
PDB

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n/an/a 74n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Screening for AEA cellular uptake inhibition was performed in a semi-automated procedure: Pipetting and washing steps were performed by a Biomek3000 ...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM391600
PNG
(ETI-T-255 | US10300048, Compound 2 | US10300048, E...)
Show SMILES CCOc1cc(\C=C2/S\C(=N/c3ccc(F)cc3)N(C2=O)c2ccc(F)cc2)ccc1O
Show InChI InChI=1S/C24H18F2N2O3S/c1-2-31-21-13-15(3-12-20(21)29)14-22-23(30)28(19-10-6-17(26)7-11-19)24(32-22)27-18-8-4-16(25)5-9-18/h3-14,29H,2H2,1H3/b22-14-,27-24-
PDB

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n/an/a 74n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Screening for AEA cellular uptake inhibition was performed in a semi-automated procedure: Pipetting and washing steps were performed by a Biomek3000 ...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM391601
PNG
(ETI-T-045 | US10300048, Compound 3)
Show SMILES CCOc1cc(\C=C2/S\C(NC2=O)=N/c2cc(Cl)ccc2C)ccc1O
Show InChI InChI=1S/C19H17ClN2O3S/c1-3-25-16-8-12(5-7-15(16)23)9-17-18(24)22-19(26-17)21-14-10-13(20)6-4-11(14)2/h4-10,23H,3H2,1-2H3,(H,21,22,24)/b17-9-
PDB

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n/an/a 138n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Screening for AEA cellular uptake inhibition was performed in a semi-automated procedure: Pipetting and washing steps were performed by a Biomek3000 ...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM391602
PNG
(ETI-T-424 | US10300048, Compound 4)
Show SMILES CCOc1cc(\C=C2/S\C(=N/CC)N(CC)C2=O)ccc1O
Show InChI InChI=1S/C16H20N2O3S/c1-4-17-16-18(5-2)15(20)14(22-16)10-11-7-8-12(19)13(9-11)21-6-3/h7-10,19H,4-6H2,1-3H3/b14-10-,17-16-
PDB

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n/an/a 145n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Screening for AEA cellular uptake inhibition was performed in a semi-automated procedure: Pipetting and washing steps were performed by a Biomek3000 ...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM391626
PNG
(US10300048, ETI-T-424)
Show SMILES CCOc1cc(\C=C2/SC(=NCC)N(CC)C2=O)cc(CCC=C)c1O
Show InChI InChI=1S/C20H26N2O3S/c1-5-9-10-15-11-14(12-16(18(15)23)25-8-4)13-17-19(24)22(7-3)20(26-17)21-6-2/h5,11-13,23H,1,6-10H2,2-4H3/b17-13-,21-20?
PDB

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n/an/a 145n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Screening for AEA cellular uptake inhibition was performed in a semi-automated procedure: Pipetting and washing steps were performed by a Biomek3000 ...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM391603
PNG
(ETI-T-174 | US10300048, Compound 5)
Show SMILES COc1ccc(\C=C2\S\C(=N/c3ccc(OC)cc3)N(C2=O)c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C25H22N2O4S/c1-29-20-10-4-17(5-11-20)16-23-24(28)27(19-8-14-22(31-3)15-9-19)25(32-23)26-18-6-12-21(30-2)13-7-18/h4-16H,1-3H3/b23-16+,26-25-
PDB

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n/an/a 148n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Screening for AEA cellular uptake inhibition was performed in a semi-automated procedure: Pipetting and washing steps were performed by a Biomek3000 ...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM391627
PNG
(US10300048, ETI-T-174)
Show SMILES COc1ccc(\C=C2/S\C(=N/c3ccc(OC)cc3)N(C2=O)c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C25H22N2O4S/c1-29-20-10-4-17(5-11-20)16-23-24(28)27(19-8-14-22(31-3)15-9-19)25(32-23)26-18-6-12-21(30-2)13-7-18/h4-16H,1-3H3/b23-16-,26-25-
PDB

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n/an/a 148n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Screening for AEA cellular uptake inhibition was performed in a semi-automated procedure: Pipetting and washing steps were performed by a Biomek3000 ...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM391604
PNG
(ETI-T-348 | US10300048, Compound 6)
Show SMILES COc1cc(\C=C2\S\C(=N/c3ccccc3)N(C2=O)c2ccccc2)ccc1O
Show InChI InChI=1S/C23H18N2O3S/c1-28-20-14-16(12-13-19(20)26)15-21-22(27)25(18-10-6-3-7-11-18)23(29-21)24-17-8-4-2-5-9-17/h2-15,26H,1H3/b21-15+,24-23-
PDB

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n/an/a 225n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Screening for AEA cellular uptake inhibition was performed in a semi-automated procedure: Pipetting and washing steps were performed by a Biomek3000 ...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM391628
PNG
(US10300048, ETI-T-348)
Show SMILES COc1cc(\C=C2/S\C(=N/c3ccccc3)N(C2=O)c2ccccc2)ccc1O
Show InChI InChI=1S/C23H18N2O3S/c1-28-20-14-16(12-13-19(20)26)15-21-22(27)25(18-10-6-3-7-11-18)23(29-21)24-17-8-4-2-5-9-17/h2-15,26H,1H3/b21-15-,24-23-
PDB

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n/an/a 225n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Screening for AEA cellular uptake inhibition was performed in a semi-automated procedure: Pipetting and washing steps were performed by a Biomek3000 ...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM391629
PNG
(US10300048, ETI-T-365)
Show SMILES COc1ccc(cc1)\N=C1/S\C(=C/c2ccc(OCC#C)cc2)C(=O)N1CCc1c[nH]c2ccccc12
Show InChI InChI=1S/C30H25N3O3S/c1-3-18-36-25-12-8-21(9-13-25)19-28-29(34)33(17-16-22-20-31-27-7-5-4-6-26(22)27)30(37-28)32-23-10-14-24(35-2)15-11-23/h1,4-15,19-20,31H,16-18H2,2H3/b28-19-,32-30-
PDB

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n/an/a 266n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Screening for AEA cellular uptake inhibition was performed in a semi-automated procedure: Pipetting and washing steps were performed by a Biomek3000 ...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM391605
PNG
(ETI-T-365 | US10300048, Compound 7)
Show SMILES COc1ccc(cc1)\N=C1/S\C(=C\c2ccc(OCC#C)cc2)C(=O)N1CCc1c[nH]c2ccccc12
Show InChI InChI=1S/C30H25N3O3S/c1-3-18-36-25-12-8-21(9-13-25)19-28-29(34)33(17-16-22-20-31-27-7-5-4-6-26(22)27)30(37-28)32-23-10-14-24(35-2)15-11-23/h1,4-15,19-20,31H,16-18H2,2H3/b28-19+,32-30-
PDB

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n/an/a 266n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Screening for AEA cellular uptake inhibition was performed in a semi-automated procedure: Pipetting and washing steps were performed by a Biomek3000 ...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM391606
PNG
(ETI-T-413 | US10300048, Compound 8)
Show SMILES CCN1\C(S\C(=C\c2ccc(O)cc2)C1=O)=N\c1ccc(F)cc1
Show InChI InChI=1S/C18H15FN2O2S/c1-2-21-17(23)16(11-12-3-9-15(22)10-4-12)24-18(21)20-14-7-5-13(19)6-8-14/h3-11,22H,2H2,1H3/b16-11+,20-18-
PDB

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n/an/a 268n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Screening for AEA cellular uptake inhibition was performed in a semi-automated procedure: Pipetting and washing steps were performed by a Biomek3000 ...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM391630
PNG
(US10300048, ETI-T-413)
Show SMILES CCN1\C(S\C(=C/c2ccc(O)cc2)C1=O)=N\c1ccc(F)cc1
Show InChI InChI=1S/C18H15FN2O2S/c1-2-21-17(23)16(11-12-3-9-15(22)10-4-12)24-18(21)20-14-7-5-13(19)6-8-14/h3-11,22H,2H2,1H3/b16-11-,20-18-
PDB

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n/an/a 268n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Screening for AEA cellular uptake inhibition was performed in a semi-automated procedure: Pipetting and washing steps were performed by a Biomek3000 ...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM391607
PNG
(ETI-T-874 | US10300048, Compound 9)
Show SMILES CCN1C(=O)\C(S\C1=N/c1ccc(OC)cc1)=C/c1ccc(C)cc1
Show InChI InChI=1S/C20H20N2O2S/c1-4-22-19(23)18(13-15-7-5-14(2)6-8-15)25-20(22)21-16-9-11-17(24-3)12-10-16/h5-13H,4H2,1-3H3/b18-13+,21-20-
PDB

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n/an/a 334n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Screening for AEA cellular uptake inhibition was performed in a semi-automated procedure: Pipetting and washing steps were performed by a Biomek3000 ...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM391631
PNG
(US10300048, ETI-T-874)
Show SMILES CCN1C(=O)\C(S\C1=N/c1ccc(OC)cc1)=C\c1ccc(C)cc1
Show InChI InChI=1S/C20H20N2O2S/c1-4-22-19(23)18(13-15-7-5-14(2)6-8-15)25-20(22)21-16-9-11-17(24-3)12-10-16/h5-13H,4H2,1-3H3/b18-13-,21-20-
PDB

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n/an/a 334n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Screening for AEA cellular uptake inhibition was performed in a semi-automated procedure: Pipetting and washing steps were performed by a Biomek3000 ...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM391608
PNG
(ETI-T-395 | US10300048, Compound 10)
Show SMILES CCCN1\C(S\C(=C\c2ccc(cc2)C(C)C)C1=O)=N\c1ccccc1
Show InChI InChI=1S/C22H24N2OS/c1-4-14-24-21(25)20(15-17-10-12-18(13-11-17)16(2)3)26-22(24)23-19-8-6-5-7-9-19/h5-13,15-16H,4,14H2,1-3H3/b20-15+,23-22-
PDB

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n/an/a 355n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Screening for AEA cellular uptake inhibition was performed in a semi-automated procedure: Pipetting and washing steps were performed by a Biomek3000 ...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM391632
PNG
(US10300048, ETI-T-395)
Show SMILES CCCN1\C(S\C(=C/c2ccc(cc2)N(C)C)C1=O)=N\c1ccccc1
Show InChI InChI=1S/C21H23N3OS/c1-4-14-24-20(25)19(15-16-10-12-18(13-11-16)23(2)3)26-21(24)22-17-8-6-5-7-9-17/h5-13,15H,4,14H2,1-3H3/b19-15-,22-21-
PDB

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n/an/a 355n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Screening for AEA cellular uptake inhibition was performed in a semi-automated procedure: Pipetting and washing steps were performed by a Biomek3000 ...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50206468
PNG
(CHEMBL3976958 | US10300048, ETI-T-193)
Show SMILES Oc1ccc(\C=C2/S\C(=N/c3ccccc3)N(Cc3ccco3)C2=O)cc1
Show InChI InChI=1S/C21H16N2O3S/c24-17-10-8-15(9-11-17)13-19-20(25)23(14-18-7-4-12-26-18)21(27-19)22-16-5-2-1-3-6-16/h1-13,24H,14H2/b19-13-,22-21-
PDB

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Similars

US Patent
n/an/a 434n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Screening for AEA cellular uptake inhibition was performed in a semi-automated procedure: Pipetting and washing steps were performed by a Biomek3000 ...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM391609
PNG
(ETI-T-193 | US10300048, Compound 11)
Show SMILES Oc1ccc(\C=C2/S\C(=N/c3ccccc3)N(OC3=CC=CC3)C2=O)cc1
Show InChI InChI=1S/C21H16N2O3S/c24-17-12-10-15(11-13-17)14-19-20(25)23(26-18-8-4-5-9-18)21(27-19)22-16-6-2-1-3-7-16/h1-8,10-14,24H,9H2/b19-14-,22-21-
PDB

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n/an/a 434n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Screening for AEA cellular uptake inhibition was performed in a semi-automated procedure: Pipetting and washing steps were performed by a Biomek3000 ...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM391610
PNG
(ETI-T-340 | US10300048, Compound 12)
Show SMILES CCOc1cc(\C=C2/S\C(=N/c3ccc(C)cc3)N(C2=O)c2ccc(C)cc2)ccc1O
Show InChI InChI=1S/C26H24N2O3S/c1-4-31-23-15-19(9-14-22(23)29)16-24-25(30)28(21-12-7-18(3)8-13-21)26(32-24)27-20-10-5-17(2)6-11-20/h5-16,29H,4H2,1-3H3/b24-16-,27-26-
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n/an/a 484n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Screening for AEA cellular uptake inhibition was performed in a semi-automated procedure: Pipetting and washing steps were performed by a Biomek3000 ...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM391599
PNG
(ETI-T-351 | US10300048, Compound 1 | US10300048, E...)
Show SMILES CCOc1cc(\C=C2/S\C(=N/c3ccc(C)cc3)N(C2=O)c2ccc(C)cc2)ccc1O
Show InChI InChI=1S/C26H24N2O3S/c1-4-31-23-15-19(9-14-22(23)29)16-24-25(30)28(21-12-7-18(3)8-13-21)26(32-24)27-20-10-5-17(2)6-11-20/h5-16,29H,4H2,1-3H3/b24-16-,27-26-
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n/an/a 484n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Screening for AEA cellular uptake inhibition was performed in a semi-automated procedure: Pipetting and washing steps were performed by a Biomek3000 ...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM391612
PNG
(ETI-T-643 | US10300048, Compound 13 | US10300048, ...)
Show SMILES CC(C)N1\C(S\C(=C/c2sccc2C)C1=O)=N\c1ccccc1
Show InChI InChI=1S/C18H18N2OS2/c1-12(2)20-17(21)16(11-15-13(3)9-10-22-15)23-18(20)19-14-7-5-4-6-8-14/h4-12H,1-3H3/b16-11-,19-18-
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n/an/a 510n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Screening for AEA cellular uptake inhibition was performed in a semi-automated procedure: Pipetting and washing steps were performed by a Biomek3000 ...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM391612
PNG
(ETI-T-643 | US10300048, Compound 13 | US10300048, ...)
Show SMILES CC(C)N1\C(S\C(=C/c2sccc2C)C1=O)=N\c1ccccc1
Show InChI InChI=1S/C18H18N2OS2/c1-12(2)20-17(21)16(11-15-13(3)9-10-22-15)23-18(20)19-14-7-5-4-6-8-14/h4-12H,1-3H3/b16-11-,19-18-
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n/an/a 510n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Screening for AEA cellular uptake inhibition was performed in a semi-automated procedure: Pipetting and washing steps were performed by a Biomek3000 ...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM391613
PNG
(ETI-T-339 | US10300048, Compound 14 | US10300048, ...)
Show SMILES COc1ccc(\C=C2/S\C(=N/c3ccccc3)N(C2=O)c2ccccc2)cc1
Show InChI InChI=1S/C23H18N2O2S/c1-27-20-14-12-17(13-15-20)16-21-22(26)25(19-10-6-3-7-11-19)23(28-21)24-18-8-4-2-5-9-18/h2-16H,1H3/b21-16-,24-23-
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n/an/a 542n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Screening for AEA cellular uptake inhibition was performed in a semi-automated procedure: Pipetting and washing steps were performed by a Biomek3000 ...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM391613
PNG
(ETI-T-339 | US10300048, Compound 14 | US10300048, ...)
Show SMILES COc1ccc(\C=C2/S\C(=N/c3ccccc3)N(C2=O)c2ccccc2)cc1
Show InChI InChI=1S/C23H18N2O2S/c1-27-20-14-12-17(13-15-20)16-21-22(26)25(19-10-6-3-7-11-19)23(28-21)24-18-8-4-2-5-9-18/h2-16H,1H3/b21-16-,24-23-
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n/an/a 542n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Screening for AEA cellular uptake inhibition was performed in a semi-automated procedure: Pipetting and washing steps were performed by a Biomek3000 ...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM391614
PNG
(ETI-T-357 | US10300048, Compound 15 | US10300048, ...)
Show SMILES CCCOc1cc(\C=C2/S\C(=N/c3ccccc3C)N(C2=O)c2ccccc2C)ccc1O
Show InChI InChI=1S/C27H26N2O3S/c1-4-15-32-24-16-20(13-14-23(24)30)17-25-26(31)29(22-12-8-6-10-19(22)3)27(33-25)28-21-11-7-5-9-18(21)2/h5-14,16-17,30H,4,15H2,1-3H3/b25-17-,28-27-
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n/an/a 553n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Screening for AEA cellular uptake inhibition was performed in a semi-automated procedure: Pipetting and washing steps were performed by a Biomek3000 ...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM391614
PNG
(ETI-T-357 | US10300048, Compound 15 | US10300048, ...)
Show SMILES CCCOc1cc(\C=C2/S\C(=N/c3ccccc3C)N(C2=O)c2ccccc2C)ccc1O
Show InChI InChI=1S/C27H26N2O3S/c1-4-15-32-24-16-20(13-14-23(24)30)17-25-26(31)29(22-12-8-6-10-19(22)3)27(33-25)28-21-11-7-5-9-18(21)2/h5-14,16-17,30H,4,15H2,1-3H3/b25-17-,28-27-
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n/an/a 553n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Screening for AEA cellular uptake inhibition was performed in a semi-automated procedure: Pipetting and washing steps were performed by a Biomek3000 ...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM391638
PNG
(US10300048, ETI-T-390)
Show SMILES CCOc1cc(\C=C2/S\C(=N/c3ccc(cc3)C(=O)OC)N(C)C2=O)cc(CC=C)c1O
Show InChI InChI=1S/C24H24N2O5S/c1-5-7-17-12-15(13-19(21(17)27)31-6-2)14-20-22(28)26(3)24(32-20)25-18-10-8-16(9-11-18)23(29)30-4/h5,8-14,27H,1,6-7H2,2-4H3/b20-14-,25-24-
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n/an/a 571n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Screening for AEA cellular uptake inhibition was performed in a semi-automated procedure: Pipetting and washing steps were performed by a Biomek3000 ...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM391615
PNG
(ETI-T-390 | US10300048, Compound 16)
Show SMILES CCOc1cc(\C=C2/S\C(=N\c3ccc(cc3)C(=O)OC)N(C)C2=O)cc(CC=C)c1O
Show InChI InChI=1S/C24H24N2O5S/c1-5-7-17-12-15(13-19(21(17)27)31-6-2)14-20-22(28)26(3)24(32-20)25-18-10-8-16(9-11-18)23(29)30-4/h5,8-14,27H,1,6-7H2,2-4H3/b20-14-,25-24+
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n/an/a 571n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Screening for AEA cellular uptake inhibition was performed in a semi-automated procedure: Pipetting and washing steps were performed by a Biomek3000 ...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM391616
PNG
(ETI-T-396 | US10300048, Compound 17)
Show SMILES CCN1C(=O)\C(S\C1=N\c1ccccc1)=C\c1cc(I)c(O)c(OC)c1
Show InChI InChI=1S/C19H17IN2O3S/c1-3-22-18(24)16(26-19(22)21-13-7-5-4-6-8-13)11-12-9-14(20)17(23)15(10-12)25-2/h4-11,23H,3H2,1-2H3/b16-11-,21-19+
PDB

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n/an/a 594n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Screening for AEA cellular uptake inhibition was performed in a semi-automated procedure: Pipetting and washing steps were performed by a Biomek3000 ...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM391639
PNG
(US10300048, ETI-T-396)
Show SMILES CCN1C(=O)\C(S\C1=N/c1ccccc1)=C\c1cc(I)c(O)c(OC)c1
Show InChI InChI=1S/C19H17IN2O3S/c1-3-22-18(24)16(26-19(22)21-13-7-5-4-6-8-13)11-12-9-14(20)17(23)15(10-12)25-2/h4-11,23H,3H2,1-2H3/b16-11-,21-19-
PDB

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n/an/a 594n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Screening for AEA cellular uptake inhibition was performed in a semi-automated procedure: Pipetting and washing steps were performed by a Biomek3000 ...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM391617
PNG
(ETI-T-347 | US10300048, Compound 18)
Show SMILES COc1ccc(cc1)\N=C1\S\C(=C/c2ccc(O)cc2)C(=O)N1c1ccc(OC)cc1
Show InChI InChI=1S/C24H20N2O4S/c1-29-20-11-5-17(6-12-20)25-24-26(18-7-13-21(30-2)14-8-18)23(28)22(31-24)15-16-3-9-19(27)10-4-16/h3-15,27H,1-2H3/b22-15-,25-24+
PDB

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n/an/a 597n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Screening for AEA cellular uptake inhibition was performed in a semi-automated procedure: Pipetting and washing steps were performed by a Biomek3000 ...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM391640
PNG
(US10300048, ETI-T-347)
Show SMILES COc1ccc(cc1)\N=C1/S\C(=C/c2ccc(O)cc2)C(=O)N1c1ccc(OC)cc1
Show InChI InChI=1S/C24H20N2O4S/c1-29-20-11-5-17(6-12-20)25-24-26(18-7-13-21(30-2)14-8-18)23(28)22(31-24)15-16-3-9-19(27)10-4-16/h3-15,27H,1-2H3/b22-15-,25-24-
PDB

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n/an/a 597n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Screening for AEA cellular uptake inhibition was performed in a semi-automated procedure: Pipetting and washing steps were performed by a Biomek3000 ...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM391618
PNG
(ETI-T-356 | US10300048, Compound 19)
Show SMILES COc1ccc(\C=C2/S\C(=N\c3ccc(C)cc3)N(C2=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C25H22N2O2S/c1-17-4-10-20(11-5-17)26-25-27(21-12-6-18(2)7-13-21)24(28)23(30-25)16-19-8-14-22(29-3)15-9-19/h4-16H,1-3H3/b23-16-,26-25+
PDB

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n/an/a 602n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Screening for AEA cellular uptake inhibition was performed in a semi-automated procedure: Pipetting and washing steps were performed by a Biomek3000 ...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM391641
PNG
(US10300048, ETI-T-356)
Show SMILES COc1ccc(\C=C2/S\C(=N/c3ccc(C)cc3)N(C2=O)c2ccc(C)cc2)cc1
Show InChI InChI=1S/C25H22N2O2S/c1-17-4-10-20(11-5-17)26-25-27(21-12-6-18(2)7-13-21)24(28)23(30-25)16-19-8-14-22(29-3)15-9-19/h4-16H,1-3H3/b23-16-,26-25-
PDB

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n/an/a 602n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Screening for AEA cellular uptake inhibition was performed in a semi-automated procedure: Pipetting and washing steps were performed by a Biomek3000 ...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM391642
PNG
(US10300048, ETI-T-198)
Show SMILES COc1cc(\C=C2/S\C(=N/c3ccccc3)N(Cc3ccco3)C2=O)cc(CC=C)c1O
Show InChI InChI=1S/C25H22N2O4S/c1-3-8-18-13-17(14-21(30-2)23(18)28)15-22-24(29)27(16-20-11-7-12-31-20)25(32-22)26-19-9-5-4-6-10-19/h3-7,9-15,28H,1,8,16H2,2H3/b22-15-,26-25-
PDB

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n/an/a 661n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Screening for AEA cellular uptake inhibition was performed in a semi-automated procedure: Pipetting and washing steps were performed by a Biomek3000 ...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM391619
PNG
(ETI-T-198 | US10300048, Compound 20)
Show SMILES COc1cc(\C=C2\S\C(=N/c3ccccc3)N(Cc3ccco3)C2=O)cc(CC=C)c1O
Show InChI InChI=1S/C25H22N2O4S/c1-3-8-18-13-17(14-21(30-2)23(18)28)15-22-24(29)27(16-20-11-7-12-31-20)25(32-22)26-19-9-5-4-6-10-19/h3-7,9-15,28H,1,8,16H2,2H3/b22-15+,26-25-
PDB

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n/an/a 661n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Screening for AEA cellular uptake inhibition was performed in a semi-automated procedure: Pipetting and washing steps were performed by a Biomek3000 ...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM391643
PNG
(US10300048, ETI-T-263)
Show SMILES Cc1ccc(cc1Cl)\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1c1ccc(C)c(Cl)c1
Show InChI InChI=1S/C24H17Cl3N2O2S/c1-13-3-6-16(11-18(13)25)28-24-29(17-7-4-14(2)19(26)12-17)23(31)22(32-24)10-15-5-8-21(30)20(27)9-15/h3-12,30H,1-2H3/b22-10-,28-24-
PDB

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n/an/a 798n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Screening for AEA cellular uptake inhibition was performed in a semi-automated procedure: Pipetting and washing steps were performed by a Biomek3000 ...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM391620
PNG
(ETI-T-263 | US10300048, Compound 21)
Show SMILES Cc1ccc(cc1Cl)\N=C1/S\C(=C\c2ccc(O)c(Cl)c2)C(=O)N1c1ccc(C)c(Cl)c1
Show InChI InChI=1S/C24H17Cl3N2O2S/c1-13-3-6-16(11-18(13)25)28-24-29(17-7-4-14(2)19(26)12-17)23(31)22(32-24)10-15-5-8-21(30)20(27)9-15/h3-12,30H,1-2H3/b22-10+,28-24-
PDB

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n/an/a 798n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Screening for AEA cellular uptake inhibition was performed in a semi-automated procedure: Pipetting and washing steps were performed by a Biomek3000 ...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM391621
PNG
(ETI-T-378 | US10300048, Compound 22)
Show SMILES CCOc1cc(\C=C2\S\C(=N/c3ccccc3)N(CCOC)C2=O)cc(CC=C)c1O
Show InChI InChI=1S/C24H26N2O4S/c1-4-9-18-14-17(15-20(22(18)27)30-5-2)16-21-23(28)26(12-13-29-3)24(31-21)25-19-10-7-6-8-11-19/h4,6-8,10-11,14-16,27H,1,5,9,12-13H2,2-3H3/b21-16+,25-24-
PDB

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n/an/a 899n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Screening for AEA cellular uptake inhibition was performed in a semi-automated procedure: Pipetting and washing steps were performed by a Biomek3000 ...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM391644
PNG
(US10300048, ETI-T-378)
Show SMILES CCOc1cc(\C=C2/S\C(=N/c3ccccc3)N(CCOC)C2=O)cc(\C=C\C)c1O
Show InChI InChI=1S/C24H26N2O4S/c1-4-9-18-14-17(15-20(22(18)27)30-5-2)16-21-23(28)26(12-13-29-3)24(31-21)25-19-10-7-6-8-11-19/h4,6-11,14-16,27H,5,12-13H2,1-3H3/b9-4+,21-16-,25-24-
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n/an/a 899n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Screening for AEA cellular uptake inhibition was performed in a semi-automated procedure: Pipetting and washing steps were performed by a Biomek3000 ...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM391647
PNG
(US10300048, ETI-T-385)
Show SMILES CN(C)c1ccc(\C=C2/S\C(=N/c3ccccc3)N(C3CCCCC3)C2=O)cc1
Show InChI InChI=1S/C24H27N3OS/c1-26(2)20-15-13-18(14-16-20)17-22-23(28)27(21-11-7-4-8-12-21)24(29-22)25-19-9-5-3-6-10-19/h3,5-6,9-10,13-17,21H,4,7-8,11-12H2,1-2H3/b22-17-,25-24-
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n/an/a 985n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Hydrolysis of [3H]-AEA by FAAH was determined as previously described in cell homogenates of U937 cells (0.18 mg protein) (Omeir et al., 1999, Bioche...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM391622
PNG
(ETI-T-209 | US10300048, Compound 23)
Show SMILES Oc1c(Cl)cc(\C=C2\S\C(=N/c3ccccc3)N(Cc3ccco3)C2=O)cc1Cl
Show InChI InChI=1S/C21H14Cl2N2O3S/c22-16-9-13(10-17(23)19(16)26)11-18-20(27)25(12-15-7-4-8-28-15)21(29-18)24-14-5-2-1-3-6-14/h1-11,26H,12H2/b18-11+,24-21-
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n/an/a 990n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Screening for AEA cellular uptake inhibition was performed in a semi-automated procedure: Pipetting and washing steps were performed by a Biomek3000 ...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM391645
PNG
(US10300048, ETI-T-209)
Show SMILES Oc1c(Cl)cc(\C=C2/S\C(=N/c3ccccc3)N(Cc3ccco3)C2=O)cc1Cl
Show InChI InChI=1S/C21H14Cl2N2O3S/c22-16-9-13(10-17(23)19(16)26)11-18-20(27)25(12-15-7-4-8-28-15)21(29-18)24-14-5-2-1-3-6-14/h1-11,26H,12H2/b18-11-,24-21-
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n/an/a 990n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Screening for AEA cellular uptake inhibition was performed in a semi-automated procedure: Pipetting and washing steps were performed by a Biomek3000 ...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM391632
PNG
(US10300048, ETI-T-395)
Show SMILES CCCN1\C(S\C(=C/c2ccc(cc2)N(C)C)C1=O)=N\c1ccccc1
Show InChI InChI=1S/C21H23N3OS/c1-4-14-24-20(25)19(15-16-10-12-18(13-11-16)23(2)3)26-21(24)22-17-8-6-5-7-9-17/h5-13,15H,4,14H2,1-3H3/b19-15-,22-21-
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n/an/a 1.05E+3n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Hydrolysis of [3H]-AEA by FAAH was determined as previously described in cell homogenates of U937 cells (0.18 mg protein) (Omeir et al., 1999, Bioche...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM391646
PNG
(US10300048, ETI-T-445)
Show SMILES CCOc1cc(\C=C2\S\C(=N\c3ccc(OC)cc3)N(C2=O)c2ccc(OC)cc2)ccc1O
Show InChI InChI=1S/C26H24N2O5S/c1-4-33-23-15-17(5-14-22(23)29)16-24-25(30)28(19-8-12-21(32-3)13-9-19)26(34-24)27-18-6-10-20(31-2)11-7-18/h5-16,29H,4H2,1-3H3/b24-16+,27-26+
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n/an/a 1.05E+3n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Screening for AEA cellular uptake inhibition was performed in a semi-automated procedure: Pipetting and washing steps were performed by a Biomek3000 ...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM391647
PNG
(US10300048, ETI-T-385)
Show SMILES CN(C)c1ccc(\C=C2/S\C(=N/c3ccccc3)N(C3CCCCC3)C2=O)cc1
Show InChI InChI=1S/C24H27N3OS/c1-26(2)20-15-13-18(14-16-20)17-22-23(28)27(21-11-7-4-8-12-21)24(29-22)25-19-9-5-3-6-10-19/h3,5-6,9-10,13-17,21H,4,7-8,11-12H2,1-2H3/b22-17-,25-24-
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n/an/a 1.08E+3n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Screening for AEA cellular uptake inhibition was performed in a semi-automated procedure: Pipetting and washing steps were performed by a Biomek3000 ...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM391648
PNG
(US10300048, ETI-T-444)
Show SMILES Cc1ccc(cc1)\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1c1ccc(C)cc1
Show InChI InChI=1S/C24H19ClN2O2S/c1-15-3-8-18(9-4-15)26-24-27(19-10-5-16(2)6-11-19)23(29)22(30-24)14-17-7-12-21(28)20(25)13-17/h3-14,28H,1-2H3/b22-14-,26-24-
PDB

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n/an/a 1.15E+3n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Screening for AEA cellular uptake inhibition was performed in a semi-automated procedure: Pipetting and washing steps were performed by a Biomek3000 ...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM391649
PNG
(US10300048, ETI-T-008)
Show SMILES COc1cc(\C=C2/S\C(=N/c3ccc(C)cc3)N(C2=O)c2ccc(C)cc2)ccc1O
Show InChI InChI=1S/C25H22N2O3S/c1-16-4-9-19(10-5-16)26-25-27(20-11-6-17(2)7-12-20)24(29)23(31-25)15-18-8-13-21(28)22(14-18)30-3/h4-15,28H,1-3H3/b23-15-,26-25-
PDB

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n/an/a 1.25E+3n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Screening for AEA cellular uptake inhibition was performed in a semi-automated procedure: Pipetting and washing steps were performed by a Biomek3000 ...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM391650
PNG
(US10300048, ETI-T-410)
Show SMILES CCOc1cc(\C=C2/S\C(=N/c3ccccc3)N(CCOC)C2=O)ccc1O
Show InChI InChI=1S/C21H22N2O4S/c1-3-27-18-13-15(9-10-17(18)24)14-19-20(25)23(11-12-26-2)21(28-19)22-16-7-5-4-6-8-16/h4-10,13-14,24H,3,11-12H2,1-2H3/b19-14-,22-21-
PDB

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n/an/a 1.30E+3n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Screening for AEA cellular uptake inhibition was performed in a semi-automated procedure: Pipetting and washing steps were performed by a Biomek3000 ...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM391651
PNG
(US10300048, ETI-T-399)
Show SMILES CCOc1cc(\C=C2\S\C(=N\c3ccc(C)cc3)N(C)C2=O)cc(CC=C)c1O
Show InChI InChI=1S/C23H24N2O3S/c1-5-7-17-12-16(13-19(21(17)26)28-6-2)14-20-22(27)25(4)23(29-20)24-18-10-8-15(3)9-11-18/h5,8-14,26H,1,6-7H2,2-4H3/b20-14+,24-23+
PDB

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n/an/a 1.33E+3n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Screening for AEA cellular uptake inhibition was performed in a semi-automated procedure: Pipetting and washing steps were performed by a Biomek3000 ...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM391652
PNG
(US10300048, ETI-T-438)
Show SMILES CCOc1cc(\C=C2\S\C(=N\c3ccc(F)cc3)N(C2=O)c2ccc(F)cc2)ccc1O
Show InChI InChI=1S/C24H18F2N2O3S/c1-2-31-21-13-15(3-12-20(21)29)14-22-23(30)28(19-10-6-17(26)7-11-19)24(32-22)27-18-8-4-16(25)5-9-18/h3-14,29H,2H2,1H3/b22-14+,27-24+
PDB

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n/an/a 1.35E+3n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Screening for AEA cellular uptake inhibition was performed in a semi-automated procedure: Pipetting and washing steps were performed by a Biomek3000 ...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM391653
PNG
(US10300048, ETI-T-435)
Show SMILES CCOc1cc(\C=C2\S\C(=N/c3ccc(C)c(Cl)c3)N(C2=O)c2ccc(C)c(Cl)c2)ccc1O
Show InChI InChI=1S/C26H22Cl2N2O3S/c1-4-33-23-11-17(7-10-22(23)31)12-24-25(32)30(19-9-6-16(3)21(28)14-19)26(34-24)29-18-8-5-15(2)20(27)13-18/h5-14,31H,4H2,1-3H3/b24-12+,29-26-
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n/an/a 1.43E+3n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Screening for AEA cellular uptake inhibition was performed in a semi-automated procedure: Pipetting and washing steps were performed by a Biomek3000 ...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM391654
PNG
(US10300048, ETI-T-426)
Show SMILES CCCN1C(=O)\C(S\C1=N/c1ccc(OC)cc1)=C\c1ccc2OCOc2c1
Show InChI InChI=1S/C21H20N2O4S/c1-3-10-23-20(24)19(12-14-4-9-17-18(11-14)27-13-26-17)28-21(23)22-15-5-7-16(25-2)8-6-15/h4-9,11-12H,3,10,13H2,1-2H3/b19-12-,22-21-
PDB

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n/an/a 1.46E+3n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Screening for AEA cellular uptake inhibition was performed in a semi-automated procedure: Pipetting and washing steps were performed by a Biomek3000 ...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM391655
PNG
(US10300048, ETI-T-401)
Show SMILES CCCCN1C(=O)\C(S\C1=N/c1ccccc1)=C\c1cc(Br)c(O)c(OCC)c1
Show InChI InChI=1S/C22H23BrN2O3S/c1-3-5-11-25-21(27)19(29-22(25)24-16-9-7-6-8-10-16)14-15-12-17(23)20(26)18(13-15)28-4-2/h6-10,12-14,26H,3-5,11H2,1-2H3/b19-14-,24-22-
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n/an/a 1.58E+3n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Screening for AEA cellular uptake inhibition was performed in a semi-automated procedure: Pipetting and washing steps were performed by a Biomek3000 ...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM391656
PNG
(US10300048, ETI-T-343)
Show SMILES COc1ccc(C=C2SC(=Nc3ccc(F)cc3)N(C2=O)c2ccc(F)cc2)cc1OC
Show InChI InChI=1S/C24H18F2N2O3S/c1-30-20-12-3-15(13-21(20)31-2)14-22-23(29)28(19-10-6-17(26)7-11-19)24(32-22)27-18-8-4-16(25)5-9-18/h3-14H,1-2H3/b22-14-,27-24-
PDB

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n/an/a 1.59E+3n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Screening for AEA cellular uptake inhibition was performed in a semi-automated procedure: Pipetting and washing steps were performed by a Biomek3000 ...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM391611
PNG
(US10300048, Compound UCM707)
Show SMILES CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCc1ccoc1
Show InChI InChI=1S/C25H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(27)26-22-24-20-21-28-23-24/h6-7,9-10,12-13,15-16,20-21,23H,2-5,8,11,14,17-19,22H2,1H3,(H,26,27)/b7-6+,10-9+,13-12+,16-15+
PDB

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n/an/a 1.90E+3n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Screening for AEA cellular uptake inhibition was performed in a semi-automated procedure: Pipetting and washing steps were performed by a Biomek3000 ...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50048066
PNG
(CHEMBL1316265 | OMDM2 | US10300048, Compound OMDM-...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](CO)Cc1ccc(O)cc1
Show InChI InChI=1S/C27H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(31)28-25(23-29)22-24-18-20-26(30)21-19-24/h9-10,18-21,25,29-30H,2-8,11-17,22-23H2,1H3,(H,28,31)/b10-9-/t25-/m1/s1
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n/an/a 3.90E+3n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Screening for AEA cellular uptake inhibition was performed in a semi-automated procedure: Pipetting and washing steps were performed by a Biomek3000 ...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM391649
PNG
(US10300048, ETI-T-008)
Show SMILES COc1cc(\C=C2/S\C(=N/c3ccc(C)cc3)N(C2=O)c2ccc(C)cc2)ccc1O
Show InChI InChI=1S/C25H22N2O3S/c1-16-4-9-19(10-5-16)26-25-27(20-11-6-17(2)7-12-20)24(29)23(31-25)15-18-8-13-21(28)22(14-18)30-3/h4-15,28H,1-3H3/b23-15-,26-25-
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n/an/a 5.37E+3n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Hydrolysis of [3H]-AEA by FAAH was determined as previously described in cell homogenates of U937 cells (0.18 mg protein) (Omeir et al., 1999, Bioche...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM391611
PNG
(US10300048, Compound UCM707)
Show SMILES CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCc1ccoc1
Show InChI InChI=1S/C25H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(27)26-22-24-20-21-28-23-24/h6-7,9-10,12-13,15-16,20-21,23H,2-5,8,11,14,17-19,22H2,1H3,(H,26,27)/b7-6+,10-9+,13-12+,16-15+
PDB

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n/an/a 8.30E+3n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Hydrolysis of [3H]-AEA by FAAH was determined as previously described in cell homogenates of U937 cells (0.18 mg protein) (Omeir et al., 1999, Bioche...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM391627
PNG
(US10300048, ETI-T-174)
Show SMILES COc1ccc(\C=C2/S\C(=N/c3ccc(OC)cc3)N(C2=O)c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C25H22N2O4S/c1-29-20-10-4-17(5-11-20)16-23-24(28)27(19-8-14-22(31-3)15-9-19)25(32-23)26-18-6-12-21(30-2)13-7-18/h4-16H,1-3H3/b23-16-,26-25-
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n/an/a 2.04E+4n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Hydrolysis of [3H]-AEA by FAAH was determined as previously described in cell homogenates of U937 cells (0.18 mg protein) (Omeir et al., 1999, Bioche...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50048066
PNG
(CHEMBL1316265 | OMDM2 | US10300048, Compound OMDM-...)
Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)N[C@@H](CO)Cc1ccc(O)cc1
Show InChI InChI=1S/C27H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(31)28-25(23-29)22-24-18-20-26(30)21-19-24/h9-10,18-21,25,29-30H,2-8,11-17,22-23H2,1H3,(H,28,31)/b10-9-/t25-/m1/s1
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US Patent
n/an/a 2.34E+4n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Hydrolysis of [3H]-AEA by FAAH was determined as previously described in cell homogenates of U937 cells (0.18 mg protein) (Omeir et al., 1999, Bioche...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM391628
PNG
(US10300048, ETI-T-348)
Show SMILES COc1cc(\C=C2/S\C(=N/c3ccccc3)N(C2=O)c2ccccc2)ccc1O
Show InChI InChI=1S/C23H18N2O3S/c1-28-20-14-16(12-13-19(20)26)15-21-22(27)25(18-10-6-3-7-11-18)23(29-21)24-17-8-4-2-5-9-17/h2-15,26H,1H3/b21-15-,24-23-
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n/an/a 2.69E+4n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Hydrolysis of [3H]-AEA by FAAH was determined as previously described in cell homogenates of U937 cells (0.18 mg protein) (Omeir et al., 1999, Bioche...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM391600
PNG
(ETI-T-255 | US10300048, Compound 2 | US10300048, E...)
Show SMILES CCOc1cc(\C=C2/S\C(=N/c3ccc(F)cc3)N(C2=O)c2ccc(F)cc2)ccc1O
Show InChI InChI=1S/C24H18F2N2O3S/c1-2-31-21-13-15(3-12-20(21)29)14-22-23(30)28(19-10-6-17(26)7-11-19)24(32-22)27-18-8-4-16(25)5-9-18/h3-14,29H,2H2,1H3/b22-14-,27-24-
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n/an/a 5.62E+4n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Hydrolysis of [3H]-AEA by FAAH was determined as previously described in cell homogenates of U937 cells (0.18 mg protein) (Omeir et al., 1999, Bioche...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM391600
PNG
(ETI-T-255 | US10300048, Compound 2 | US10300048, E...)
Show SMILES CCOc1cc(\C=C2/S\C(=N/c3ccc(F)cc3)N(C2=O)c2ccc(F)cc2)ccc1O
Show InChI InChI=1S/C24H18F2N2O3S/c1-2-31-21-13-15(3-12-20(21)29)14-22-23(30)28(19-10-6-17(26)7-11-19)24(32-22)27-18-8-4-16(25)5-9-18/h3-14,29H,2H2,1H3/b22-14-,27-24-
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n/an/a 5.62E+4n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Hydrolysis of [3H]-AEA by FAAH was determined as previously described in cell homogenates of U937 cells (0.18 mg protein) (Omeir et al., 1999, Bioche...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM391643
PNG
(US10300048, ETI-T-263)
Show SMILES Cc1ccc(cc1Cl)\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1c1ccc(C)c(Cl)c1
Show InChI InChI=1S/C24H17Cl3N2O2S/c1-13-3-6-16(11-18(13)25)28-24-29(17-7-4-14(2)19(26)12-17)23(31)22(32-24)10-15-5-8-21(30)20(27)9-15/h3-12,30H,1-2H3/b22-10-,28-24-
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n/an/a 5.89E+4n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Hydrolysis of [3H]-AEA by FAAH was determined as previously described in cell homogenates of U937 cells (0.18 mg protein) (Omeir et al., 1999, Bioche...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM391622
PNG
(ETI-T-209 | US10300048, Compound 23)
Show SMILES Oc1c(Cl)cc(\C=C2\S\C(=N/c3ccccc3)N(Cc3ccco3)C2=O)cc1Cl
Show InChI InChI=1S/C21H14Cl2N2O3S/c22-16-9-13(10-17(23)19(16)26)11-18-20(27)25(12-15-7-4-8-28-15)21(29-18)24-14-5-2-1-3-6-14/h1-11,26H,12H2/b18-11+,24-21-
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n/an/a 6.03E+4n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Hydrolysis of [3H]-AEA by FAAH was determined as previously described in cell homogenates of U937 cells (0.18 mg protein) (Omeir et al., 1999, Bioche...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM391645
PNG
(US10300048, ETI-T-209)
Show SMILES Oc1c(Cl)cc(\C=C2/S\C(=N/c3ccccc3)N(Cc3ccco3)C2=O)cc1Cl
Show InChI InChI=1S/C21H14Cl2N2O3S/c22-16-9-13(10-17(23)19(16)26)11-18-20(27)25(12-15-7-4-8-28-15)21(29-18)24-14-5-2-1-3-6-14/h1-11,26H,12H2/b18-11-,24-21-
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n/an/a 6.03E+4n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Hydrolysis of [3H]-AEA by FAAH was determined as previously described in cell homogenates of U937 cells (0.18 mg protein) (Omeir et al., 1999, Bioche...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM391615
PNG
(ETI-T-390 | US10300048, Compound 16)
Show SMILES CCOc1cc(\C=C2/S\C(=N\c3ccc(cc3)C(=O)OC)N(C)C2=O)cc(CC=C)c1O
Show InChI InChI=1S/C24H24N2O5S/c1-5-7-17-12-15(13-19(21(17)27)31-6-2)14-20-22(28)26(3)24(32-20)25-18-10-8-16(9-11-18)23(29)30-4/h5,8-14,27H,1,6-7H2,2-4H3/b20-14-,25-24+
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n/an/a>1.00E+5n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Hydrolysis of [3H]-AEA by FAAH was determined as previously described in cell homogenates of U937 cells (0.18 mg protein) (Omeir et al., 1999, Bioche...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM391644
PNG
(US10300048, ETI-T-378)
Show SMILES CCOc1cc(\C=C2/S\C(=N/c3ccccc3)N(CCOC)C2=O)cc(\C=C\C)c1O
Show InChI InChI=1S/C24H26N2O4S/c1-4-9-18-14-17(15-20(22(18)27)30-5-2)16-21-23(28)26(12-13-29-3)24(31-21)25-19-10-7-6-8-11-19/h4,6-11,14-16,27H,5,12-13H2,1-3H3/b9-4+,21-16-,25-24-
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n/an/a>1.00E+5n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Hydrolysis of [3H]-AEA by FAAH was determined as previously described in cell homogenates of U937 cells (0.18 mg protein) (Omeir et al., 1999, Bioche...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM391610
PNG
(ETI-T-340 | US10300048, Compound 12)
Show SMILES CCOc1cc(\C=C2/S\C(=N/c3ccc(C)cc3)N(C2=O)c2ccc(C)cc2)ccc1O
Show InChI InChI=1S/C26H24N2O3S/c1-4-31-23-15-19(9-14-22(23)29)16-24-25(30)28(21-12-7-18(3)8-13-21)26(32-24)27-20-10-5-17(2)6-11-20/h5-16,29H,4H2,1-3H3/b24-16-,27-26-
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n/an/a>1.00E+5n/an/an/an/an/an/a



UNIVERSITAT BERN

US Patent


Assay Description
Hydrolysis of [3H]-AEA by FAAH was determined as previously described in cell homogenates of U937 cells (0.18 mg protein) (Omeir et al., 1999, Bioche...


US Patent US10300048 (2019)


BindingDB Entry DOI: 10.7270/Q22J6F63
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%