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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50047320   
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))
BDBM50160284
PNG
(CHEMBL3785379)
Show SMILES Fc1ccc(cc1)[C@@H]1[C@H](N(C2CCN(CC2)C(=O)n2cncn2)C1=O)c1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C24H22FN5O4/c25-17-4-1-15(2-5-17)21-22(16-3-6-19-20(11-16)34-14-33-19)30(23(21)31)18-7-9-28(10-8-18)24(32)29-13-26-12-27-29/h1-6,11-13,18,21-22H,7-10,14H2/t21-,22-/m1/s1
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PubMed
n/an/a 4.05E+3n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal His-tagged human FAAH expressed in sf21 cells using N-arachidonoyl-[14C]-ethanolamine as substrate assessed as r...


J Med Chem 59: 2612-32 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01812
BindingDB Entry DOI: 10.7270/Q21R6SC7
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50160284
PNG
(CHEMBL3785379)
Show SMILES Fc1ccc(cc1)[C@@H]1[C@H](N(C2CCN(CC2)C(=O)n2cncn2)C1=O)c1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C24H22FN5O4/c25-17-4-1-15(2-5-17)21-22(16-3-6-19-20(11-16)34-14-33-19)30(23(21)31)18-7-9-28(10-8-18)24(32)29-13-26-12-27-29/h1-6,11-13,18,21-22H,7-10,14H2/t21-,22-/m1/s1
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PubMed
n/an/a 4.05E+3n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal His-tagged human FAAH expressed in sf21 cells using N-arachidonoyl-[14C]-ethanolamine as substrate assessed as r...


J Med Chem 59: 2612-32 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01812
BindingDB Entry DOI: 10.7270/Q21R6SC7
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50160283
PNG
(CHEMBL3787346)
Show SMILES Fc1ccc(cc1)[C@H]1[C@@H](N(C2CCN(CC2)C(=O)n2cncn2)C1=O)c1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C24H22FN5O4/c25-17-4-1-15(2-5-17)21-22(16-3-6-19-20(11-16)34-14-33-19)30(23(21)31)18-7-9-28(10-8-18)24(32)29-13-26-12-27-29/h1-6,11-13,18,21-22H,7-10,14H2/t21-,22-/m0/s1
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PubMed
n/an/a 7.74E+3n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal His-tagged human FAAH expressed in sf21 cells using N-arachidonoyl-[14C]-ethanolamine as substrate assessed as r...


J Med Chem 59: 2612-32 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01812
BindingDB Entry DOI: 10.7270/Q21R6SC7
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50160282
PNG
(CHEMBL3785760)
Show SMILES [O-][N+](=O)c1ccc(OC(=O)N2CCC(CC2)N2[C@@H]([C@H](C2=O)c2ccc(F)cc2)c2ccc3OCOc3c2)cc1 |r|
Show InChI InChI=1S/C28H24FN3O7/c29-19-4-1-17(2-5-19)25-26(18-3-10-23-24(15-18)38-16-37-23)31(27(25)33)20-11-13-30(14-12-20)28(34)39-22-8-6-21(7-9-22)32(35)36/h1-10,15,20,25-26H,11-14,16H2/t25-,26-/m1/s1
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PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of recombinant C-terminal His-tagged human FAAH expressed in sf21 cells using N-arachidonoyl-[14C]-ethanolamine as substrate assessed as r...


J Med Chem 59: 2612-32 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01812
BindingDB Entry DOI: 10.7270/Q21R6SC7
More data for this
Ligand-Target Pair