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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Fatty-acid amide hydrolase 1 [30-579]' and Ligand = 'BDBM10922'   
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))
BDBM10922
PNG
(3-({methyl[3-({5-oxo-5H-chromeno[2,3-b]pyridin-8-y...)
Show SMILES CCCCCCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(c2)oc2ncccc2c3=O)c1
Show InChI InChI=1S/C31H37N3O5/c1-3-4-5-6-7-16-33-31(36)38-25-12-8-11-23(20-25)22-34(2)18-10-19-37-24-14-15-26-28(21-24)39-30-27(29(26)35)13-9-17-32-30/h8-9,11-15,17,20-21H,3-7,10,16,18-19,22H2,1-2H3,(H,33,36)
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 202n/an/an/an/an/an/a



Alma Mater Studiorum University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membrane using N-arachidonoyl-[14C]-ethanolamine as substrate preincubated for 20 mins followed by substrate addition...


J Med Chem 59: 6387-406 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00609
BindingDB Entry DOI: 10.7270/Q21G0P6Q
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM10922
PNG
(3-({methyl[3-({5-oxo-5H-chromeno[2,3-b]pyridin-8-y...)
Show SMILES CCCCCCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(c2)oc2ncccc2c3=O)c1
Show InChI InChI=1S/C31H37N3O5/c1-3-4-5-6-7-16-33-31(36)38-25-12-8-11-23(20-25)22-34(2)18-10-19-37-24-14-15-26-28(21-24)39-30-27(29(26)35)13-9-17-32-30/h8-9,11-15,17,20-21H,3-7,10,16,18-19,22H2,1-2H3,(H,33,36)
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 400n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membranes assessed as hydrolysis of [14C]-anandamide preincubated for 20 mins before [14C]-anandamide addition measur...


ACS Med Chem Lett 3: 182-186 (2012)


Article DOI: 10.1021/ml200313p
BindingDB Entry DOI: 10.7270/Q29W0GJB
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM10922
PNG
(3-({methyl[3-({5-oxo-5H-chromeno[2,3-b]pyridin-8-y...)
Show SMILES CCCCCCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(c2)oc2ncccc2c3=O)c1
Show InChI InChI=1S/C31H37N3O5/c1-3-4-5-6-7-16-33-31(36)38-25-12-8-11-23(20-25)22-34(2)18-10-19-37-24-14-15-26-28(21-24)39-30-27(29(26)35)13-9-17-32-30/h8-9,11-15,17,20-21H,3-7,10,16,18-19,22H2,1-2H3,(H,33,36)
PDB
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 2.21E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membranes assessed as hydrolysis of [14C]-anandamide after 30 mins


ACS Med Chem Lett 3: 182-186 (2012)


Article DOI: 10.1021/ml200313p
BindingDB Entry DOI: 10.7270/Q29W0GJB
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579]


(Rattus norvegicus (rat))
BDBM10922
PNG
(3-({methyl[3-({5-oxo-5H-chromeno[2,3-b]pyridin-8-y...)
Show SMILES CCCCCCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(c2)oc2ncccc2c3=O)c1
Show InChI InChI=1S/C31H37N3O5/c1-3-4-5-6-7-16-33-31(36)38-25-12-8-11-23(20-25)22-34(2)18-10-19-37-24-14-15-26-28(21-24)39-30-27(29(26)35)13-9-17-32-30/h8-9,11-15,17,20-21H,3-7,10,16,18-19,22H2,1-2H3,(H,33,36)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.13E+3n/an/an/an/an/an/a



Alma Mater Studiorum University of Bologna

Curated by ChEMBL


Assay Description
Inhibition of FAAH in rat brain membrane using N-arachidonoyl-[14C]-ethanolamine as substrate incubated for 30 mins by scintillation counting method


J Med Chem 59: 6387-406 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00609
BindingDB Entry DOI: 10.7270/Q21G0P6Q
More data for this
Ligand-Target Pair