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)	Ligand	Target/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	pH	Temp °C
adrenergic Alpha2 (BOVINE)	BDBM50027018 (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 GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	97	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding activity against alpha-2 adrenergic receptor from calf cerebral cortex, using [3H]-clonidine as the radioligand				J Med Chem 26: 1696-701 (1984) BindingDB Entry DOI: 10.7270/Q2251H67
					More data for this Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor (CALF)	BDBM50027018 (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 GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	2.85E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding activity against alpha-1 adrenergic receptor from calf cerebral cortex, using [3H]-prazosin as the radioligand				J Med Chem 26: 1696-701 (1984) BindingDB Entry DOI: 10.7270/Q2251H67
					More data for this Ligand-Target Pair
EBifunctional epoxide hydrolase 2 (Homo sapiens (Human))	BDBM50027018 (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 antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.20E+6	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/j.bmc.2015.03.083 BindingDB Entry DOI: 10.7270/Q2DV1MKD
					More data for this Ligand-Target Pair				3D Structure (crystal)