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BDBM50000056 (sulmazole)2-(4-Methanesulfinyl-2-methoxy-phenyl)-3H-imidazo[4,5-b]pyridine::2-(4-Methanesulfinyl-2-methoxy-phenyl)-1H-imidazo[4,5-b]pyridine::2-(4-Methanesulfinyl-2-methoxy-phenyl)-1H-imidazo[4,5-b]pyridine (sulmazole)::2-(4-Methanesulfinyl-2-methoxy-phenyl)-1H-imidazo[4,5-b]pyridine(sulmazole)::2-(4-Methanesulfinyl-2-methoxy-phenyl)-3H-imidazo[4,5-b]pyridine::2-Methyl-6-oxo-1,6-dihydro-[3,4']bipyridinyl-5-carbonitrile::CHEMBL286020

SMILES: COc1cc(ccc1-c1nc2ncccc2[nH]1)S(C)=O

InChI Key: InChIKey=XMFCOYRWYYXZMY-UHFFFAOYSA-N

Data: 6 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50000056   
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
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50000056
PNG
((sulmazole)2-(4-Methanesulfinyl-2-methoxy-phenyl)-...)
Show SMILES COc1cc(ccc1-c1nc2ncccc2[nH]1)S(C)=O
Show InChI InChI=1S/C14H13N3O2S/c1-19-12-8-9(20(2)18)5-6-10(12)13-16-11-4-3-7-15-14(11)17-13/h3-8H,1-2H3,(H,15,16,17)
PDB
MMDB

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n/an/a 2.10E+4n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibition of PDE-V isolated from porcine pulmonary artery.


J Med Chem 36: 1387-92 (1993)


BindingDB Entry DOI: 10.7270/Q2JW8FHP
More data for this
Ligand-Target Pair
Homo sapiens phosphodiesterase 2A (PDE2A)


(Homo sapiens (Human))
BDBM50000056
PNG
((sulmazole)2-(4-Methanesulfinyl-2-methoxy-phenyl)-...)
Show SMILES COc1cc(ccc1-c1nc2ncccc2[nH]1)S(C)=O
Show InChI InChI=1S/C14H13N3O2S/c1-19-12-8-9(20(2)18)5-6-10(12)13-16-11-4-3-7-15-14(11)17-13/h3-8H,1-2H3,(H,15,16,17)
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n/an/a 2.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cyclic GMP sensitive phosphodiesterase PDE 2 of guinea pig ventricle


J Med Chem 28: 537-45 (1985)


BindingDB Entry DOI: 10.7270/Q2N58MXT
More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (Human))
BDBM50000056
PNG
((sulmazole)2-(4-Methanesulfinyl-2-methoxy-phenyl)-...)
Show SMILES COc1cc(ccc1-c1nc2ncccc2[nH]1)S(C)=O
Show InChI InChI=1S/C14H13N3O2S/c1-19-12-8-9(20(2)18)5-6-10(12)13-16-11-4-3-7-15-14(11)17-13/h3-8H,1-2H3,(H,15,16,17)
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n/an/a 5.01E+4n/an/an/an/an/an/a


TBA

Assay Description
Concentration of compound required for 50% inhibition of type III cAMP phosphodiesterase from dog ventricles, activity expressed as pIC50


Citation and Details

BindingDB Entry DOI: 10.7270/Q26D5W5H
More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Homo sapiens (Human))
BDBM50000056
PNG
((sulmazole)2-(4-Methanesulfinyl-2-methoxy-phenyl)-...)
Show SMILES COc1cc(ccc1-c1nc2ncccc2[nH]1)S(C)=O
Show InChI InChI=1S/C14H13N3O2S/c1-19-12-8-9(20(2)18)5-6-10(12)13-16-11-4-3-7-15-14(11)17-13/h3-8H,1-2H3,(H,15,16,17)
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n/an/a>1.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [Ca(2+)]/calmodulin dependent phosphodiesterase PDE 1 of guinea pig ventricle


J Med Chem 28: 537-45 (1985)


BindingDB Entry DOI: 10.7270/Q2N58MXT
More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (Human))
BDBM50000056
PNG
((sulmazole)2-(4-Methanesulfinyl-2-methoxy-phenyl)-...)
Show SMILES COc1cc(ccc1-c1nc2ncccc2[nH]1)S(C)=O
Show InChI InChI=1S/C14H13N3O2S/c1-19-12-8-9(20(2)18)5-6-10(12)13-16-11-4-3-7-15-14(11)17-13/h3-8H,1-2H3,(H,15,16,17)
PDB
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UniProtKB/SwissProt

B.MOAD
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antibodypedia
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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PubMed
n/an/a 5.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of low Km cyclic cAMP phosphodiesterase PDE III of guinea pig ventricle


J Med Chem 28: 537-45 (1985)


BindingDB Entry DOI: 10.7270/Q2N58MXT
More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (Human))
BDBM50000056
PNG
((sulmazole)2-(4-Methanesulfinyl-2-methoxy-phenyl)-...)
Show SMILES COc1cc(ccc1-c1nc2ncccc2[nH]1)S(C)=O
Show InChI InChI=1S/C14H13N3O2S/c1-19-12-8-9(20(2)18)5-6-10(12)13-16-11-4-3-7-15-14(11)17-13/h3-8H,1-2H3,(H,15,16,17)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 1.50E+5n/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of PDE 3 (phosphodiesterase III) from guinea pig ventricle


J Med Chem 36: 1387-92 (1993)


BindingDB Entry DOI: 10.7270/Q2JW8FHP
More data for this
Ligand-Target Pair