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BDBM50037045 5-Methoxy-7-methyl-2-methylamino-4-pyridin-3-ylmethyl-benzothiazol-6-ol; dihydrochloride::CHEMBL544334

SMILES: CNc1nc2c(Cc3cccnc3)c(OC)c(O)c(C)c2s1

InChI Key: InChIKey=JNHYIWIYVAOFRO-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50037045   
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
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50037045
PNG
(5-Methoxy-7-methyl-2-methylamino-4-pyridin-3-ylmet...)
Show SMILES CNc1nc2c(Cc3cccnc3)c(OC)c(O)c(C)c2s1
Show InChI InChI=1S/C16H17N3O2S/c1-9-13(20)14(21-3)11(7-10-5-4-6-18-8-10)12-15(9)22-16(17-2)19-12/h4-6,8,20H,7H2,1-3H3,(H,17,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 170n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against the production of leukotriene B4 (LTB4) in glycogen-induced peritoneal cells of rat


J Med Chem 37: 3062-70 (1994)


BindingDB Entry DOI: 10.7270/Q2WM1F2J
More data for this
Ligand-Target Pair
Thromboxane-A synthase


(Rattus norvegicus)
BDBM50037045
PNG
(5-Methoxy-7-methyl-2-methylamino-4-pyridin-3-ylmet...)
Show SMILES CNc1nc2c(Cc3cccnc3)c(OC)c(O)c(C)c2s1
Show InChI InChI=1S/C16H17N3O2S/c1-9-13(20)14(21-3)11(7-10-5-4-6-18-8-10)12-15(9)22-16(17-2)19-12/h4-6,8,20H,7H2,1-3H3,(H,17,19)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against the production of thromboxane B2 (TXB2) in glycogen-induced peritoneal cells of rat


J Med Chem 37: 3062-70 (1994)


BindingDB Entry DOI: 10.7270/Q2WM1F2J
More data for this
Ligand-Target Pair