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Compile Data Set for Download or QSAR

Found 6 hits with Last Name = 'marshall' and Initial = 'fn'   
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
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50241379
PNG
((enoximone)4-Methyl-5-(4-methylsulfanyl-benzoyl)-1...)
Show SMILES CSc1ccc(cc1)C(=O)c1[nH]c(=O)[nH]c1C
Show InChI InChI=1S/C12H12N2O2S/c1-7-10(14-12(16)13-7)11(15)8-3-5-9(17-2)6-4-8/h3-6H,1-2H3,(H2,13,14,16)
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PubMed
n/an/a 2.90E+3n/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Inhibition of canine heart Phosphodiesterase 4


J Med Chem 33: 317-27 (1990)


BindingDB Entry DOI: 10.7270/Q27S7R0G
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50228379
PNG
(CHEMBL326133)
Show SMILES N#Cc1c[nH]c(n1)-c1ncc[nH]1
Show InChI InChI=1S/C7H5N5/c8-3-5-4-11-7(12-5)6-9-1-2-10-6/h1-2,4H,(H,9,10)(H,11,12)
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PC cid
PC sid
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PubMed
n/an/a 3.67E+4n/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Inhibition of canine heart Phosphodiesterase 4


J Med Chem 33: 317-27 (1990)


BindingDB Entry DOI: 10.7270/Q27S7R0G
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM34651
PNG
(Amrinon | Amrinone | CHEMBL12856 | Cordemcura | IN...)
Show SMILES Nc1cc(c[nH]c1=O)-c1ccncc1
Show InChI InChI=1S/C10H9N3O/c11-9-5-8(6-13-10(9)14)7-1-3-12-4-2-7/h1-6H,11H2,(H,13,14)
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PubMed
n/an/a 4.10E+4n/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Inhibition of canine heart Phosphodiesterase 4


J Med Chem 33: 317-27 (1990)


BindingDB Entry DOI: 10.7270/Q27S7R0G
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM34651
PNG
(Amrinon | Amrinone | CHEMBL12856 | Cordemcura | IN...)
Show SMILES Nc1cc(c[nH]c1=O)-c1ccncc1
Show InChI InChI=1S/C10H9N3O/c11-9-5-8(6-13-10(9)14)7-1-3-12-4-2-7/h1-6H,11H2,(H,13,14)
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PubMed
n/an/a>1.50E+5n/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Inhibition of canine kidney Phosphodiesterase 4 at 0.5 uM


J Med Chem 33: 317-27 (1990)


BindingDB Entry DOI: 10.7270/Q27S7R0G
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50241379
PNG
((enoximone)4-Methyl-5-(4-methylsulfanyl-benzoyl)-1...)
Show SMILES CSc1ccc(cc1)C(=O)c1[nH]c(=O)[nH]c1C
Show InChI InChI=1S/C12H12N2O2S/c1-7-10(14-12(16)13-7)11(15)8-3-5-9(17-2)6-4-8/h3-6H,1-2H3,(H2,13,14,16)
PDB

UniProtKB/SwissProt

antibodypedia
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antibodypedia
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CHEMBL
DrugBank
MCE
PC cid
PC sid
UniChem

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



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Inhibition of canine kidney Phosphodiesterase 4


J Med Chem 33: 317-27 (1990)


BindingDB Entry DOI: 10.7270/Q27S7R0G
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D


(Homo sapiens (Human))
BDBM50228379
PNG
(CHEMBL326133)
Show SMILES N#Cc1c[nH]c(n1)-c1ncc[nH]1
Show InChI InChI=1S/C7H5N5/c8-3-5-4-11-7(12-5)6-9-1-2-10-6/h1-2,4H,(H,9,10)(H,11,12)
PDB

UniProtKB/SwissProt

antibodypedia
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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 3.39E+5n/an/an/an/an/an/a



Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Inhibition of canine kidney Phosphodiesterase 4


J Med Chem 33: 317-27 (1990)


BindingDB Entry DOI: 10.7270/Q27S7R0G
More data for this
Ligand-Target Pair