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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 50022495   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Aldo-keto reductase family 1 member B1 [K65Q]


(Bos taurus (Cattle))
BDBM50022495
PNG
(6,7,8,9-tetrahydro-2'H,5'H-spiro[benzo[7]annulene-...)
Show SMILES O=C1NC(=O)C2(CCCCc3ccccc23)N1
Show InChI InChI=1S/C13H14N2O2/c16-11-13(15-12(17)14-11)8-4-3-6-9-5-1-2-7-10(9)13/h1-2,5,7H,3-4,6,8H2,(H2,14,15,16,17)
PDB

UniProtKB/SwissProt

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CHEMBL
MCE
PC cid
PC sid
UniChem

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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
In vitro inhibition of partially purified calf lens aldose reductase


J Med Chem 31: 230-43 (1988)


BindingDB Entry DOI: 10.7270/Q27D2VQF
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)
BDBM50022495
PNG
(6,7,8,9-tetrahydro-2'H,5'H-spiro[benzo[7]annulene-...)
Show SMILES O=C1NC(=O)C2(CCCCc3ccccc23)N1
Show InChI InChI=1S/C13H14N2O2/c16-11-13(15-12(17)14-11)8-4-3-6-9-5-1-2-7-10(9)13/h1-2,5,7H,3-4,6,8H2,(H2,14,15,16,17)
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UniProtKB/SwissProt

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CHEMBL
MCE
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 2.51E+5n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
In vitro inhibition of Voltage-gated sodium channel by the displacement of [3H]batrachotoxin A 20-alpha-benzoate in rat brain cerebral cortex synapto...


J Med Chem 42: 1537-45 (1999)


Article DOI: 10.1021/jm980556l
BindingDB Entry DOI: 10.7270/Q2RJ4N61
More data for this
Ligand-Target Pair
Sodium channel protein type 1/2/3 subunit alpha


(Rattus norvegicus)
BDBM50022495
PNG
(6,7,8,9-tetrahydro-2'H,5'H-spiro[benzo[7]annulene-...)
Show SMILES O=C1NC(=O)C2(CCCCc3ccccc23)N1
Show InChI InChI=1S/C13H14N2O2/c16-11-13(15-12(17)14-11)8-4-3-6-9-5-1-2-7-10(9)13/h1-2,5,7H,3-4,6,8H2,(H2,14,15,16,17)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.51E+5n/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Inhibition of [3H]BTX-B binding to Neuronal voltage-dependent sodium channel of rat cerebral cortex synaptoneurosomes


J Med Chem 40: 602-7 (1997)


Article DOI: 10.1021/jm960692v
BindingDB Entry DOI: 10.7270/Q2J96931
More data for this
Ligand-Target Pair