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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'cAMP-specific 3',5'-cyclic phosphodiesterase 4A' and Ligand = 'BDBM50426302'   
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


(Homo sapiens (Human))
BDBM50426302
PNG
(CHEMBL2312698)
Show SMILES CC1(C)NC(=O)N(CN2CCNCC2)C1=O
Show InChI InChI=1S/C10H18N4O2/c1-10(2)8(15)14(9(16)12-10)7-13-5-3-11-4-6-13/h11H,3-7H2,1-2H3,(H,12,16)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.31E+5n/an/an/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of PAD4 (unknown origin) at 37 degC


J Med Chem 56: 1715-22 (2013)


Article DOI: 10.1021/jm301755q
BindingDB Entry DOI: 10.7270/Q2ZS2XTX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50426302
PNG
(CHEMBL2312698)
Show SMILES CC1(C)NC(=O)N(CN2CCNCC2)C1=O
Show InChI InChI=1S/C10H18N4O2/c1-10(2)8(15)14(9(16)12-10)7-13-5-3-11-4-6-13/h11H,3-7H2,1-2H3,(H,12,16)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
3.71E+5n/an/an/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of PAD4 (unknown origin) at 52 degC


J Med Chem 56: 1715-22 (2013)


Article DOI: 10.1021/jm301755q
BindingDB Entry DOI: 10.7270/Q2ZS2XTX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50426302
PNG
(CHEMBL2312698)
Show SMILES CC1(C)NC(=O)N(CN2CCNCC2)C1=O
Show InChI InChI=1S/C10H18N4O2/c1-10(2)8(15)14(9(16)12-10)7-13-5-3-11-4-6-13/h11H,3-7H2,1-2H3,(H,12,16)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.38E+6n/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of PAD4 (unknown origin) at 37 degC


J Med Chem 56: 1715-22 (2013)


Article DOI: 10.1021/jm301755q
BindingDB Entry DOI: 10.7270/Q2ZS2XTX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50426302
PNG
(CHEMBL2312698)
Show SMILES CC1(C)NC(=O)N(CN2CCNCC2)C1=O
Show InChI InChI=1S/C10H18N4O2/c1-10(2)8(15)14(9(16)12-10)7-13-5-3-11-4-6-13/h11H,3-7H2,1-2H3,(H,12,16)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.27E+6n/an/an/an/an/an/a



University Health Network

Curated by ChEMBL


Assay Description
Inhibition of PAD4 (unknown origin) at 52 degC


J Med Chem 56: 1715-22 (2013)


Article DOI: 10.1021/jm301755q
BindingDB Entry DOI: 10.7270/Q2ZS2XTX
More data for this
Ligand-Target Pair