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BDBM50394620 CHEMBL2164602

SMILES: Clc1ccc(Oc2cccc(CN3CCN(CC3)C(=O)Nc3cccnc3)c2)cc1

InChI Key: InChIKey=CTYVKSQPMCSUOR-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50394620   
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 (FAAH)


(Homo sapiens (Human))
BDBM50394620
PNG
(CHEMBL2164602)
Show SMILES Clc1ccc(Oc2cccc(CN3CCN(CC3)C(=O)Nc3cccnc3)c2)cc1
Show InChI InChI=1S/C23H23ClN4O2/c24-19-6-8-21(9-7-19)30-22-5-1-3-18(15-22)17-27-11-13-28(14-12-27)23(29)26-20-4-2-10-25-16-20/h1-10,15-16H,11-14,17H2,(H,26,29)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40n/an/an/an/an/an/a



Janssen Pharmaceutical Companies of Johnson& Johnson, L.L.C.

Curated by ChEMBL


Assay Description
Apparent inhibition of recombinant human FAAH expressed in SK-N-MC cells assessed as [3H]-anandamide hydrolysis after 1 hr by liquid scintillation an...


Bioorg Med Chem Lett 26: 3109-14 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.001
BindingDB Entry DOI: 10.7270/Q25B04F3
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50394620
PNG
(CHEMBL2164602)
Show SMILES Clc1ccc(Oc2cccc(CN3CCN(CC3)C(=O)Nc3cccnc3)c2)cc1
Show InChI InChI=1S/C23H23ClN4O2/c24-19-6-8-21(9-7-19)30-22-5-1-3-18(15-22)17-27-11-13-28(14-12-27)23(29)26-20-4-2-10-25-16-20/h1-10,15-16H,11-14,17H2,(H,26,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 33n/an/an/an/an/an/a



Janssen Pharmaceutical Companies of Johnson& Johnson, L.L.C.

Curated by ChEMBL


Assay Description
Apparent inhibition of recombinant rat FAAH expressed in SK-N-MC cells assessed as [3H]-anandamide hydrolysis after 1 hr by liquid scintillation anal...


Bioorg Med Chem Lett 26: 3109-14 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.001
BindingDB Entry DOI: 10.7270/Q25B04F3
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 2


(Homo sapiens)
BDBM50394620
PNG
(CHEMBL2164602)
Show SMILES Clc1ccc(Oc2cccc(CN3CCN(CC3)C(=O)Nc3cccnc3)c2)cc1
Show InChI InChI=1S/C23H23ClN4O2/c24-19-6-8-21(9-7-19)30-22-5-1-3-18(15-22)17-27-11-13-28(14-12-27)23(29)26-20-4-2-10-25-16-20/h1-10,15-16H,11-14,17H2,(H,26,29)
KEGG

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PC sid
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of FAAH2


ACS Med Chem Lett 3: 823-827 (2012)


Article DOI: 10.1021/ml300186g
BindingDB Entry DOI: 10.7270/Q2JQ124T
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 (FAAH)


(Homo sapiens (Human))
BDBM50394620
PNG
(CHEMBL2164602)
Show SMILES Clc1ccc(Oc2cccc(CN3CCN(CC3)C(=O)Nc3cccnc3)c2)cc1
Show InChI InChI=1S/C23H23ClN4O2/c24-19-6-8-21(9-7-19)30-22-5-1-3-18(15-22)17-27-11-13-28(14-12-27)23(29)26-20-4-2-10-25-16-20/h1-10,15-16H,11-14,17H2,(H,26,29)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40n/an/an/an/an/an/a



Janssen Research and Development, LLC

Curated by ChEMBL


Assay Description
Inhibition of human FAAH preincubated for 60 mins


Bioorg Med Chem Lett 22: 7357-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.076
BindingDB Entry DOI: 10.7270/Q28S4R30
More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 (FAAH)


(Homo sapiens (Human))
BDBM50394620
PNG
(CHEMBL2164602)
Show SMILES Clc1ccc(Oc2cccc(CN3CCN(CC3)C(=O)Nc3cccnc3)c2)cc1
Show InChI InChI=1S/C23H23ClN4O2/c24-19-6-8-21(9-7-19)30-22-5-1-3-18(15-22)17-27-11-13-28(14-12-27)23(29)26-20-4-2-10-25-16-20/h1-10,15-16H,11-14,17H2,(H,26,29)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human FAAH after 1 hr


ACS Med Chem Lett 3: 823-827 (2012)


Article DOI: 10.1021/ml300186g
BindingDB Entry DOI: 10.7270/Q2JQ124T
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50394620
PNG
(CHEMBL2164602)
Show SMILES Clc1ccc(Oc2cccc(CN3CCN(CC3)C(=O)Nc3cccnc3)c2)cc1
Show InChI InChI=1S/C23H23ClN4O2/c24-19-6-8-21(9-7-19)30-22-5-1-3-18(15-22)17-27-11-13-28(14-12-27)23(29)26-20-4-2-10-25-16-20/h1-10,15-16H,11-14,17H2,(H,26,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 33n/an/an/an/an/an/a



Janssen Research and Development, LLC

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH preincubated for 60 mins


Bioorg Med Chem Lett 22: 7357-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.076
BindingDB Entry DOI: 10.7270/Q28S4R30
More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50394620
PNG
(CHEMBL2164602)
Show SMILES Clc1ccc(Oc2cccc(CN3CCN(CC3)C(=O)Nc3cccnc3)c2)cc1
Show InChI InChI=1S/C23H23ClN4O2/c24-19-6-8-21(9-7-19)30-22-5-1-3-18(15-22)17-27-11-13-28(14-12-27)23(29)26-20-4-2-10-25-16-20/h1-10,15-16H,11-14,17H2,(H,26,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 33n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH after 1 hr


ACS Med Chem Lett 3: 823-827 (2012)


Article DOI: 10.1021/ml300186g
BindingDB Entry DOI: 10.7270/Q2JQ124T
More data for this
Ligand-Target Pair