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BDBM50377921 SODIUM NITROPRUSSIDE

SMILES: O=N[Fe--](C#N)(C#N)(C#N)(C#N)C#N

InChI Key: InChIKey=ASPOIVQEUUCDQT-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50377921   
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
Acetylcholinesterase


(Bos taurus (bovine))
BDBM50377921
PNG
(SODIUM NITROPRUSSIDE)
Show SMILES O=N[Fe--](C#N)(C#N)(C#N)(C#N)C#N
Show InChI InChI=1S/5CN.Fe.NO/c5*1-2;;1-2/q;;;;;2*-1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.74n/an/an/an/an/an/a



Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC)

Curated by ChEMBL


Assay Description
Inhibition of bovine erythrocyte AChE by Ellman's assay


J Med Chem 51: 3588-98 (2008)

More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (human))
BDBM50377921
PNG
(SODIUM NITROPRUSSIDE)
Show SMILES O=N[Fe--](C#N)(C#N)(C#N)(C#N)C#N
Show InChI InChI=1S/5CN.Fe.NO/c5*1-2;;1-2/q;;;;;2*-1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12.4n/an/an/an/an/an/a



Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human serum BChE by Ellman's assay


J Med Chem 51: 3588-98 (2008)

More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (human))
BDBM50377921
PNG
(SODIUM NITROPRUSSIDE)
Show SMILES O=N[Fe--](C#N)(C#N)(C#N)(C#N)C#N
Show InChI InChI=1S/5CN.Fe.NO/c5*1-2;;1-2/q;;;;;2*-1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.04n/an/an/an/an/an/a



Laboratori de Qu�mica Farmac�utica (Unitat Associada al CSIC)

Curated by ChEMBL


Assay Description
Inhibition of human erythrocyte AChE by Ellman's assay


J Med Chem 51: 3588-98 (2008)

More data for this
Ligand-Target Pair