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BDBM50531978 CHEMBL4466342

SMILES: CCCCc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1ccc(F)c(O)c1

InChI Key: InChIKey=ZHQIHJFXLFNJRR-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50531978   
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
Monoacylglycerol lipase ABHD6


(Homo sapiens (Human))
BDBM50531978
PNG
(CHEMBL4466342)
Show SMILES CCCCc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1ccc(F)c(O)c1
Show InChI InChI=1S/C23H26FNO3/c1-2-3-4-16-5-7-17(8-6-16)22(27)18-11-13-25(14-12-18)23(28)19-9-10-20(24)21(26)15-19/h5-10,15,18,26H,2-4,11-14H2,1H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Inhibition of human ABHD6 expressed in HEK293 cell homogenates pre-incubated for 30 mins in presence of [1,2,3-3H]2-OG by liquid scintillation spectr...


J Med Chem 62: 1932-1958 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01483
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1


(Homo sapiens (Human))
BDBM50531978
PNG
(CHEMBL4466342)
Show SMILES CCCCc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1ccc(F)c(O)c1
Show InChI InChI=1S/C23H26FNO3/c1-2-3-4-16-5-7-17(8-6-16)22(27)18-11-13-25(14-12-18)23(28)19-9-10-20(24)21(26)15-19/h5-10,15,18,26H,2-4,11-14H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.20E+3n/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Inhibition of FAAH in human U937 cell homogenates using [ethanolamine-1-3H]AEA as substrate after 15 mins by liquid scintillation spectroscopy


J Med Chem 62: 1932-1958 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01483
More data for this
Ligand-Target Pair
Monoglyceride lipase


(Homo sapiens (Human))
BDBM50531978
PNG
(CHEMBL4466342)
Show SMILES CCCCc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1ccc(F)c(O)c1
Show InChI InChI=1S/C23H26FNO3/c1-2-3-4-16-5-7-17(8-6-16)22(27)18-11-13-25(14-12-18)23(28)19-9-10-20(24)21(26)15-19/h5-10,15,18,26H,2-4,11-14H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 262n/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAGL using 4-NPA as substrate after 30 mins


J Med Chem 62: 1932-1958 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01483
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50531978
PNG
(CHEMBL4466342)
Show SMILES CCCCc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1ccc(F)c(O)c1
Show InChI InChI=1S/C23H26FNO3/c1-2-3-4-16-5-7-17(8-6-16)22(27)18-11-13-25(14-12-18)23(28)19-9-10-20(24)21(26)15-19/h5-10,15,18,26H,2-4,11-14H2,1H3
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 to human CB1 receptor expressed in cell membranes after 90 mins by liquid scintillation counting


J Med Chem 62: 1932-1958 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01483
More data for this
Ligand-Target Pair
Monoacylglycerol lipase ABHD12


(Homo sapiens (Human))
BDBM50531978
PNG
(CHEMBL4466342)
Show SMILES CCCCc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1ccc(F)c(O)c1
Show InChI InChI=1S/C23H26FNO3/c1-2-3-4-16-5-7-17(8-6-16)22(27)18-11-13-25(14-12-18)23(28)19-9-10-20(24)21(26)15-19/h5-10,15,18,26H,2-4,11-14H2,1H3
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Inhibition of human ABHD12 expressed in HEK293 cell homogenates pre-incubated for 30 mins in presence of [1,2,3-3H]2-OG by liquid scintillation spect...


J Med Chem 62: 1932-1958 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01483
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50531978
PNG
(CHEMBL4466342)
Show SMILES CCCCc1ccc(cc1)C(=O)C1CCN(CC1)C(=O)c1ccc(F)c(O)c1
Show InChI InChI=1S/C23H26FNO3/c1-2-3-4-16-5-7-17(8-6-16)22(27)18-11-13-25(14-12-18)23(28)19-9-10-20(24)21(26)15-19/h5-10,15,18,26H,2-4,11-14H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Pisa

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55,940 to human CB2 receptor expressed in cell membranes after 90 mins by liquid scintillation counting


J Med Chem 62: 1932-1958 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01483
More data for this
Ligand-Target Pair