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PubMed code 21330134

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
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
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A


(Homo sapiens (Human))
BDBM50338586
PNG
(CHEMBL1683806 | N'-(1-(3,3-dimethyl-2-oxoindolin-5...)
Show SMILES CC(=NNS(=O)(=O)c1ccc(C)cc1)c1ccc2NC(=O)C(C)(C)c2c1 |w:2.2|
Show InChI InChI=1S/C19H21N3O3S/c1-12-5-8-15(9-6-12)26(24,25)22-21-13(2)14-7-10-17-16(11-14)19(3,4)18(23)20-17/h5-11,22H,1-4H3,(H,20,23)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 14.8n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE3A


Bioorg Med Chem Lett 21: 1617-20 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.120
BindingDB Entry DOI: 10.7270/Q2WQ043X
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A


(Homo sapiens (Human))
BDBM15297
PNG
(CHEMBL34431 | Cilostamide | N-Cyclohexyl-N-methyl-...)
Show SMILES CN(C1CCCCC1)C(=O)CCCOc1ccc2[nH]c(=O)ccc2c1
Show InChI InChI=1S/C20H26N2O3/c1-22(16-6-3-2-4-7-16)20(24)8-5-13-25-17-10-11-18-15(14-17)9-12-19(23)21-18/h9-12,14,16H,2-8,13H2,1H3,(H,21,23)
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CHEMBL
MCE
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Article
PubMed
n/an/a 18.1n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE3A


Bioorg Med Chem Lett 21: 1617-20 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.120
BindingDB Entry DOI: 10.7270/Q2WQ043X
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B


(Homo sapiens (Human))
BDBM15297
PNG
(CHEMBL34431 | Cilostamide | N-Cyclohexyl-N-methyl-...)
Show SMILES CN(C1CCCCC1)C(=O)CCCOc1ccc2[nH]c(=O)ccc2c1
Show InChI InChI=1S/C20H26N2O3/c1-22(16-6-3-2-4-7-16)20(24)8-5-13-25-17-10-11-18-15(14-17)9-12-19(23)21-18/h9-12,14,16H,2-8,13H2,1H3,(H,21,23)
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Article
PubMed
n/an/a 69.1n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE3B


Bioorg Med Chem Lett 21: 1617-20 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.120
BindingDB Entry DOI: 10.7270/Q2WQ043X
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B


(Homo sapiens (Human))
BDBM50338586
PNG
(CHEMBL1683806 | N'-(1-(3,3-dimethyl-2-oxoindolin-5...)
Show SMILES CC(=NNS(=O)(=O)c1ccc(C)cc1)c1ccc2NC(=O)C(C)(C)c2c1 |w:2.2|
Show InChI InChI=1S/C19H21N3O3S/c1-12-5-8-15(9-6-12)26(24,25)22-21-13(2)14-7-10-17-16(11-14)19(3,4)18(23)20-17/h5-11,22H,1-4H3,(H,20,23)
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PC cid
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UniChem
Article
PubMed
n/an/a 88.4n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE3B


Bioorg Med Chem Lett 21: 1617-20 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.120
BindingDB Entry DOI: 10.7270/Q2WQ043X
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%