BindingDB logo
myBDB logout

BDBM50244993 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(pyridin-3-yl)piperazine-1-carboxamide::CHEMBL513553

SMILES: O=C(Nc1cccnc1)N1CCN(CC1)c1nc(ns1)-c1ccccc1

InChI Key: InChIKey=RCAFZHFLIBYWGO-UHFFFAOYSA-N

Data: 4 IC50

PDB links: 1 PDB ID matches this monomer.

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 4 hits for monomerid = 50244993   
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))
BDBM50244993
PNG
(4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(pyridin-3-yl...)
Show SMILES O=C(Nc1cccnc1)N1CCN(CC1)c1nc(ns1)-c1ccccc1
Show InChI InChI=1S/C18H18N6OS/c25-17(20-15-7-4-8-19-13-15)23-9-11-24(12-10-23)18-21-16(22-26-18)14-5-2-1-3-6-14/h1-8,13H,9-12H2,(H,20,25)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 9.80n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human FAAH preincubated for 10 mins


Bioorg Med Chem Lett 18: 4838-43 (2008)

More data for this
Ligand-Target Pair
Fatty-acid amide hydrolase 1 (FAAH)


(Homo sapiens (Human))
BDBM50244993
PNG
(4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(pyridin-3-yl...)
Show SMILES O=C(Nc1cccnc1)N1CCN(CC1)c1nc(ns1)-c1ccccc1
Show InChI InChI=1S/C18H18N6OS/c25-17(20-15-7-4-8-19-13-15)23-9-11-24(12-10-23)18-21-16(22-26-18)14-5-2-1-3-6-14/h1-8,13H,9-12H2,(H,20,25)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.40n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition of human FAAH expressed in CHO-K1 cells using ethanolamine 1-3[H] as substrate after 30 mins by liquid scintillation counting


Bioorg Med Chem 21: 28-41 (2012)

More data for this
Ligand-Target Pair
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50244993
PNG
(4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(pyridin-3-yl...)
Show SMILES O=C(Nc1cccnc1)N1CCN(CC1)c1nc(ns1)-c1ccccc1
Show InChI InChI=1S/C18H18N6OS/c25-17(20-15-7-4-8-19-13-15)23-9-11-24(12-10-23)18-21-16(22-26-18)14-5-2-1-3-6-14/h1-8,13H,9-12H2,(H,20,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

PDB
Article
PubMed
n/an/a 3.80n/an/an/an/an/an/a



Takeda Pharmaceutical Company Ltd

Curated by ChEMBL


Assay Description
Apparent inhibition of rat FAAH after 30 mins


Bioorg Med Chem 21: 28-41 (2012)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Anandamide amidohydrolase


(Rattus norvegicus (rat))
BDBM50244993
PNG
(4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(pyridin-3-yl...)
Show SMILES O=C(Nc1cccnc1)N1CCN(CC1)c1nc(ns1)-c1ccccc1
Show InChI InChI=1S/C18H18N6OS/c25-17(20-15-7-4-8-19-13-15)23-9-11-24(12-10-23)18-21-16(22-26-18)14-5-2-1-3-6-14/h1-8,13H,9-12H2,(H,20,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents


Similars

PDB
Article
PubMed
n/an/a 8.70n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of rat FAAH preincubated for 10 mins


Bioorg Med Chem Lett 18: 4838-43 (2008)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)