BindingDB logo
myBDB logout

BDBM31001 (4-Amino-furazan-3-yl)-(4-methyl-piperazin-1-yl)-methanone oxime::(4E)-4-[(4-methyl-1-piperazinyl)-nitrosomethylidene]-1,2,5-oxadiazol-3-amine::(4E)-4-[(4-methylpiperazin-1-yl)-nitroso-methylidene]-1,2,5-oxadiazol-3-amine::(4E)-4-[(4-methylpiperazin-1-yl)-nitrosomethylidene]-1,2,5-oxadiazol-3-amine::MLS000070315::SMR000001272::[(4E)-4-[(4-methylpiperazino)-nitroso-methylene]furazan-3-yl]amine::cid_6364821

SMILES: CN1CCN(CC1)C(N=O)c1nonc1N

InChI Key: InChIKey=XJSKATRQVWDVSG-UHFFFAOYSA-N

Data: 3 EC50

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 = 31001   
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
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM31001
PNG
((4-Amino-furazan-3-yl)-(4-methyl-piperazin-1-yl)-m...)
Show SMILES CN1CCN(CC1)C(N=O)c1nonc1N
Show InChI InChI=1S/C8H14N6O2/c1-13-2-4-14(5-3-13)8(10-15)6-7(9)12-16-11-6/h8H,2-5H2,1H3,(H2,9,12)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 5.00E+4n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
A cell line containing the human 5-HT1a receptor, the promiscuous G-alpha-15 protein (Ga15) as well as the beta-lactamase (BLA) reporter-gene under c...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2WW7G03
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 3


(Homo sapiens (Human))
BDBM31001
PNG
((4-Amino-furazan-3-yl)-(4-methyl-piperazin-1-yl)-m...)
Show SMILES CN1CCN(CC1)C(N=O)c1nonc1N
Show InChI InChI=1S/C8H14N6O2/c1-13-2-4-14(5-3-13)8(10-15)6-7(9)12-16-11-6/h8H,2-5H2,1H3,(H2,9,12)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>4.00E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
External Assay ID: S1P3_EC50_CS_5HT1e_Agonist Name: S1P3 Dose Response Assay Counterscreen for 5-Hydroxytryptamine(Serotonin) Receptor Subtype 1E ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2PN941W
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM31001
PNG
((4-Amino-furazan-3-yl)-(4-methyl-piperazin-1-yl)-m...)
Show SMILES CN1CCN(CC1)C(N=O)c1nonc1N
Show InChI InChI=1S/C8H14N6O2/c1-13-2-4-14(5-3-13)8(10-15)6-7(9)12-16-11-6/h8H,2-5H2,1H3,(H2,9,12)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.17E+3n/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
The CHO cell line was cultured in T-175 sq cm Corning flasks (part 431080) at 37 deg C and 95% RH. The HTS assay began by dispensing 10 microliters o...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2Q52MZM
More data for this
Ligand-Target Pair