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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for entry = 50007011   
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 [30-579]


(Rattus norvegicus (rat))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a



Universit£ degli Studi di Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Wistar rat brain intact neurons assessed as reduction in [3H]anandamide hydrolysis using [3H]anandamide as substrate preincubat...


J Med Chem 62: 10995-11003 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00885
BindingDB Entry DOI: 10.7270/Q26113K2
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM26739
PNG
(3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...)
Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1
Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)
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Article
PubMed
n/an/a 4.60n/an/an/an/an/an/a



Universit£ degli Studi di Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of FAAH in Wistar rat brain membranes assessed as reduction in [3H]anandamide hydrolysis using [3H]anandamide as substrate preincubated fo...


J Med Chem 62: 10995-11003 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00885
BindingDB Entry DOI: 10.7270/Q26113K2
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50505364
PNG
(CHEMBL4460898)
Show SMILES CN(C1CCCCC1)C(=O)n1cnc(c1)-c1ccc[n+]([O-])c1
Show InChI InChI=1S/C16H20N4O2/c1-18(14-7-3-2-4-8-14)16(21)19-11-15(17-12-19)13-6-5-9-20(22)10-13/h5-6,9-12,14H,2-4,7-8H2,1H3
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n/an/a 49n/an/an/an/an/an/a



Universit£ degli Studi di Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal FLAG-tagged FAAH expressed in HEK293T cells preincubated for 4 hrs followed by addition of FP-TAMRA probe ...


J Med Chem 62: 10995-11003 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00885
BindingDB Entry DOI: 10.7270/Q26113K2
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM22987
PNG
((5Z,8Z,11Z,14Z)-N-[2-(5-hydroxy-1H-indol-3-yl)ethy...)
Show SMILES CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C30H42N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(34)31-23-22-26-25-32-29-21-20-27(33)24-28(26)29/h6-7,9-10,12-13,15-16,20-21,24-25,32-33H,2-5,8,11,14,17-19,22-23H2,1H3,(H,31,34)/b7-6-,10-9-,13-12-,16-15-
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Article
PubMed
n/an/a 5.60E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of FAAH (unknown origin)


J Med Chem 62: 10995-11003 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00885
BindingDB Entry DOI: 10.7270/Q26113K2
More data for this
Ligand-Target Pair