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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with all data for entry = 7371   
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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Patents


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US Patent
n/an/a 7.70n/an/an/an/an/an/a



The Regents of the University of California; Universita Degli Studi Di Parma; Universita Degli Studi Di Urbino

US Patent


Assay Description
The assays for compounds described herein are amenable to high throughput screening. Preferred assays thus detect binding of the inhibitor to FAAH or...


US Patent US9187413 (2015)


BindingDB Entry DOI: 10.7270/Q2FQ9VD1
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM108250
PNG
(3‐(3‐carbamoylphenyl)‐4‐me...)
Show SMILES Cc1ccc(OC(=O)NC2CCCCC2)cc1-c1cccc(c1)C(N)=O
Show InChI InChI=1S/C21H24N2O3/c1-14-10-11-18(26-21(25)23-17-8-3-2-4-9-17)13-19(14)15-6-5-7-16(12-15)20(22)24/h5-7,10-13,17H,2-4,8-9H2,1H3,(H2,22,24)(H,23,25)
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UniChem

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US Patent
n/an/a 20.5n/an/an/an/an/an/a



The Regents of the University of California; Universita Degli Studi Di Parma; Universita Degli Studi Di Urbino

US Patent


Assay Description
The assays for compounds described herein are amenable to high throughput screening. Preferred assays thus detect binding of the inhibitor to FAAH or...


US Patent US9187413 (2015)


BindingDB Entry DOI: 10.7270/Q2FQ9VD1
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50437227
PNG
(CHEMBL2402927 | US9187413, 1b (URB937))
Show SMILES NC(=O)c1cccc(c1)-c1cc(OC(=O)NC2CCCCC2)ccc1O
Show InChI InChI=1S/C20H22N2O4/c21-19(24)14-6-4-5-13(11-14)17-12-16(9-10-18(17)23)26-20(25)22-15-7-2-1-3-8-15/h4-6,9-12,15,23H,1-3,7-8H2,(H2,21,24)(H,22,25)
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US Patent
n/an/a 26.8n/an/an/an/an/an/a



The Regents of the University of California; Universita Degli Studi Di Parma; Universita Degli Studi Di Urbino

US Patent


Assay Description
The assays for compounds described herein are amenable to high throughput screening. Preferred assays thus detect binding of the inhibitor to FAAH or...


US Patent US9187413 (2015)


BindingDB Entry DOI: 10.7270/Q2FQ9VD1
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM191773
PNG
(US9187413, 1f)
Show SMILES NC(=O)c1cccc(c1)-c1cc(OC(=O)NC2CCCCC2)ccc1N
Show InChI InChI=1S/C20H23N3O3/c21-18-10-9-16(26-20(25)23-15-7-2-1-3-8-15)12-17(18)13-5-4-6-14(11-13)19(22)24/h4-6,9-12,15H,1-3,7-8,21H2,(H2,22,24)(H,23,25)
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US Patent
n/an/a 42.5n/an/an/an/an/an/a



The Regents of the University of California; Universita Degli Studi Di Parma; Universita Degli Studi Di Urbino

US Patent


Assay Description
The assays for compounds described herein are amenable to high throughput screening. Preferred assays thus detect binding of the inhibitor to FAAH or...


US Patent US9187413 (2015)


BindingDB Entry DOI: 10.7270/Q2FQ9VD1
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM50437232
PNG
(3‐(3‐carbamoylphenyl)‐4‐me...)
Show SMILES COc1ccc(OC(=O)NC2CCCCC2)cc1-c1cccc(c1)C(N)=O
Show InChI InChI=1S/C21H24N2O4/c1-26-19-11-10-17(27-21(25)23-16-8-3-2-4-9-16)13-18(19)14-6-5-7-15(12-14)20(22)24/h5-7,10-13,16H,2-4,8-9H2,1H3,(H2,22,24)(H,23,25)
PDB
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UniProtKB/SwissProt

B.MOAD
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PC sid
UniChem

Similars

US Patent
n/an/a 45.3n/an/an/an/an/an/a



The Regents of the University of California; Universita Degli Studi Di Parma; Universita Degli Studi Di Urbino

US Patent


Assay Description
The assays for compounds described herein are amenable to high throughput screening. Preferred assays thus detect binding of the inhibitor to FAAH or...


US Patent US9187413 (2015)


BindingDB Entry DOI: 10.7270/Q2FQ9VD1
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM191772
PNG
(US9187413, 1e)
Show SMILES NC(=O)c1cccc(c1)-c1cc(OC(=O)NC2CCCCC2)ccc1F
Show InChI InChI=1S/C20H21FN2O3/c21-18-10-9-16(26-20(25)23-15-7-2-1-3-8-15)12-17(18)13-5-4-6-14(11-13)19(22)24/h4-6,9-12,15H,1-3,7-8H2,(H2,22,24)(H,23,25)
PDB
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UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 49.7n/an/an/an/an/an/a



The Regents of the University of California; Universita Degli Studi Di Parma; Universita Degli Studi Di Urbino

US Patent


Assay Description
The assays for compounds described herein are amenable to high throughput screening. Preferred assays thus detect binding of the inhibitor to FAAH or...


US Patent US9187413 (2015)


BindingDB Entry DOI: 10.7270/Q2FQ9VD1
More data for this
Ligand-Target Pair