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BDBM50027018 1-(3-Trifluoromethyl-pyridin-2-yl)-piperazine::CHEMBL45663

SMILES: FC(F)(F)c1cccnc1N1CCNCC1

InChI Key: InChIKey=FRFKCMNQNNNZNO-UHFFFAOYSA-N

Data: 2 KI  1 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 3 hits for monomerid = 50027018   
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
adrenergic Alpha2


(BOVINE)
BDBM50027018
PNG
(1-(3-Trifluoromethyl-pyridin-2-yl)-piperazine | CH...)
Show SMILES FC(F)(F)c1cccnc1N1CCNCC1
Show InChI InChI=1S/C10H12F3N3/c11-10(12,13)8-2-1-3-15-9(8)16-6-4-14-5-7-16/h1-3,14H,4-7H2
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
97n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding activity against alpha-2 adrenergic receptor from calf cerebral cortex, using [3H]-clonidine as the radioligand


Citation and Details
More data for this
Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF)
BDBM50027018
PNG
(1-(3-Trifluoromethyl-pyridin-2-yl)-piperazine | CH...)
Show SMILES FC(F)(F)c1cccnc1N1CCNCC1
Show InChI InChI=1S/C10H12F3N3/c11-10(12,13)8-2-1-3-15-9(8)16-6-4-14-5-7-16/h1-3,14H,4-7H2
KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
2.85E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding activity against alpha-1 adrenergic receptor from calf cerebral cortex, using [3H]-prazosin as the radioligand


Citation and Details
More data for this
Ligand-Target Pair
Epoxide hydratase


(Homo sapiens (Human))
BDBM50027018
PNG
(1-(3-Trifluoromethyl-pyridin-2-yl)-piperazine | CH...)
Show SMILES FC(F)(F)c1cccnc1N1CCNCC1
Show InChI InChI=1S/C10H12F3N3/c11-10(12,13)8-2-1-3-15-9(8)16-6-4-14-5-7-16/h1-3,14H,4-7H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
PDB
UniChem

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PDB
Article
PubMed
n/an/a 1.20E+6n/an/an/an/an/an/a



Astellas Pharma Inc.

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His6-tagged full-length human soluble epoxide hydrolase expressed in Escherichia coli BL21(DE3) cells pre-incubated for 15 m...


Bioorg Med Chem 23: 2310-7 (2015)

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