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BDBM50448896 CHEMBL3125307

SMILES: O=C(CCCCCCc1ccccc1)c1ncc(o1)-c1ccc(CC#N)cn1

InChI Key: InChIKey=MDHSRBKWWXIDHJ-UHFFFAOYSA-N

Data: 4 KI  4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50448896   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Fatty-acid amide hydrolase 1 (aa 30-579)


(Rattus norvegicus (rat))
BDBM50448896
PNG
(CHEMBL3125307)
Show SMILES O=C(CCCCCCc1ccccc1)c1ncc(o1)-c1ccc(CC#N)cn1
Show InChI InChI=1S/C23H23N3O2/c24-15-14-19-12-13-20(25-16-19)22-17-26-23(28-22)21(27)11-7-2-1-4-8-18-9-5-3-6-10-18/h3,5-6,9-10,12-13,16-17H,1-2,4,7-8,11,14H2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.5n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Time-dependent inhibition of recombinant rat FAAH expressed in Escherichia coli assessed as breakdown of [14C]-oleamide preincubated for 3 hrs by Dix...


J Med Chem 57: 1079-89 (2014)


Article DOI: 10.1021/jm401820q
BindingDB Entry DOI: 10.7270/Q2HX1F5K
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 (aa 30-579)


(Rattus norvegicus (rat))
BDBM50448896
PNG
(CHEMBL3125307)
Show SMILES O=C(CCCCCCc1ccccc1)c1ncc(o1)-c1ccc(CC#N)cn1
Show InChI InChI=1S/C23H23N3O2/c24-15-14-19-12-13-20(25-16-19)22-17-26-23(28-22)21(27)11-7-2-1-4-8-18-9-5-3-6-10-18/h3,5-6,9-10,12-13,16-17H,1-2,4,7-8,11,14H2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.5n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Time-dependent inhibition of recombinant rat FAAH expressed in Escherichia coli assessed as breakdown of [14C]-oleamide preincubated for 6 hrs by Dix...


J Med Chem 57: 1079-89 (2014)


Article DOI: 10.1021/jm401820q
BindingDB Entry DOI: 10.7270/Q2HX1F5K
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 (aa 30-579)


(Rattus norvegicus (rat))
BDBM50448896
PNG
(CHEMBL3125307)
Show SMILES O=C(CCCCCCc1ccccc1)c1ncc(o1)-c1ccc(CC#N)cn1
Show InChI InChI=1S/C23H23N3O2/c24-15-14-19-12-13-20(25-16-19)22-17-26-23(28-22)21(27)11-7-2-1-4-8-18-9-5-3-6-10-18/h3,5-6,9-10,12-13,16-17H,1-2,4,7-8,11,14H2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
0.900n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Time-dependent inhibition of recombinant rat FAAH expressed in Escherichia coli assessed as breakdown of [14C]-oleamide preincubated for 1 hr by Dixo...


J Med Chem 57: 1079-89 (2014)


Article DOI: 10.1021/jm401820q
BindingDB Entry DOI: 10.7270/Q2HX1F5K
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 (aa 30-579)


(Rattus norvegicus (rat))
BDBM50448896
PNG
(CHEMBL3125307)
Show SMILES O=C(CCCCCCc1ccccc1)c1ncc(o1)-c1ccc(CC#N)cn1
Show InChI InChI=1S/C23H23N3O2/c24-15-14-19-12-13-20(25-16-19)22-17-26-23(28-22)21(27)11-7-2-1-4-8-18-9-5-3-6-10-18/h3,5-6,9-10,12-13,16-17H,1-2,4,7-8,11,14H2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
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PC sid
UniChem

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Article
PubMed
1.5n/an/an/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat FAAH expressed in Escherichia coli assessed as breakdown of [14C]-oleamide by Dixon plot analysis


J Med Chem 57: 1079-89 (2014)


Article DOI: 10.1021/jm401820q
BindingDB Entry DOI: 10.7270/Q2HX1F5K
More data for this
Ligand-Target Pair
KIAA1363


(Mus musculus (mouse))
BDBM50448896
PNG
(CHEMBL3125307)
Show SMILES O=C(CCCCCCc1ccccc1)c1ncc(o1)-c1ccc(CC#N)cn1
Show InChI InChI=1S/C23H23N3O2/c24-15-14-19-12-13-20(25-16-19)22-17-26-23(28-22)21(27)11-7-2-1-4-8-18-9-5-3-6-10-18/h3,5-6,9-10,12-13,16-17H,1-2,4,7-8,11,14H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of mouse brain membrane KIAA1363 preincubated for 6 hrs followed by FP-rhodamine addition measured after 10 mins by fluorescen...


J Med Chem 57: 1079-89 (2014)


Article DOI: 10.1021/jm401820q
BindingDB Entry DOI: 10.7270/Q2HX1F5K
More data for this
Ligand-Target Pair
Monoglyceride Lipase (MGL)


(Mus musculus (mouse))
BDBM50448896
PNG
(CHEMBL3125307)
Show SMILES O=C(CCCCCCc1ccccc1)c1ncc(o1)-c1ccc(CC#N)cn1
Show InChI InChI=1S/C23H23N3O2/c24-15-14-19-12-13-20(25-16-19)22-17-26-23(28-22)21(27)11-7-2-1-4-8-18-9-5-3-6-10-18/h3,5-6,9-10,12-13,16-17H,1-2,4,7-8,11,14H2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of mouse brain membrane MAGL preincubated for 6 hrs followed by FP-rhodamine addition measured after 10 mins by fluorescence s...


J Med Chem 57: 1079-89 (2014)


Article DOI: 10.1021/jm401820q
BindingDB Entry DOI: 10.7270/Q2HX1F5K
More data for this
Ligand-Target Pair
Abhydrolase Domain-Containing Protein 6


(Mus musculus (mouse))
BDBM50448896
PNG
(CHEMBL3125307)
Show SMILES O=C(CCCCCCc1ccccc1)c1ncc(o1)-c1ccc(CC#N)cn1
Show InChI InChI=1S/C23H23N3O2/c24-15-14-19-12-13-20(25-16-19)22-17-26-23(28-22)21(27)11-7-2-1-4-8-18-9-5-3-6-10-18/h3,5-6,9-10,12-13,16-17H,1-2,4,7-8,11,14H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.50E+4n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of mouse brain membrane ABHD6 preincubated for 6 hrs followed by FP-rhodamine addition measured after 10 mins by fluorescence ...


J Med Chem 57: 1079-89 (2014)


Article DOI: 10.1021/jm401820q
BindingDB Entry DOI: 10.7270/Q2HX1F5K
More data for this
Ligand-Target Pair
Carboxylesterase 1D


(Mus musculus)
BDBM50448896
PNG
(CHEMBL3125307)
Show SMILES O=C(CCCCCCc1ccccc1)c1ncc(o1)-c1ccc(CC#N)cn1
Show InChI InChI=1S/C23H23N3O2/c24-15-14-19-12-13-20(25-16-19)22-17-26-23(28-22)21(27)11-7-2-1-4-8-18-9-5-3-6-10-18/h3,5-6,9-10,12-13,16-17H,1-2,4,7-8,11,14H2
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 200n/an/an/an/an/an/a



The Scripps Research Institute

Curated by ChEMBL


Assay Description
Competitive inhibition of mouse heart membrane TGH preincubated for 6 hrs followed by FP-rhodamine addition measured after 10 mins by fluorescence sc...


J Med Chem 57: 1079-89 (2014)


Article DOI: 10.1021/jm401820q
BindingDB Entry DOI: 10.7270/Q2HX1F5K
More data for this
Ligand-Target Pair