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PDB code 1Y2B

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 2 hits Enzyme Inhibition Constant Data   
Target
(Institution)
LigandTarget
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
Phosphodiesterase Type 4 (PDE4B)

  (309/357 = 87%)
(Homo sapiens (human))
BDBM14779
PNG
(Pyrazole carboxylic ester 2 | ethyl 3,5-dimethyl-1...)
Show SMILES CCOC(=O)c1c(C)n[nH]c1C
Show InChI InChI=1S/C8H12N2O2/c1-4-12-8(11)7-5(2)9-10-6(7)3/h4H2,1-3H3,(H,9,10)
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Article
PubMed
n/an/a 6.00E+4n/an/an/an/a7.530



Plexxikon



Assay Description
Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-...


Nat Biotechnol 23: 201-7 (2005)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase Type 4 (PDE4D)

  (349/349 = 100%)
(Homo sapiens (human))
BDBM14779
PNG
(Pyrazole carboxylic ester 2 | ethyl 3,5-dimethyl-1...)
Show SMILES CCOC(=O)c1c(C)n[nH]c1C
Show InChI InChI=1S/C8H12N2O2/c1-4-12-8(11)7-5(2)9-10-6(7)3/h4H2,1-3H3,(H,9,10)
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Article
PubMed
n/an/a 8.20E+4n/an/an/an/a7.530



Plexxikon



Assay Description
Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-...


Nat Biotechnol 23: 201-7 (2005)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Similar Ligands in BindingDB*

Found 4 hits Enzyme Inhibition Constant Data.   
Target
(Institution)
LigandTarget
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
Phosphodiesterase Type 4 (PDE4B)

  (309/357 = 87%)
(Homo sapiens (human))
BDBM14778
PNG
(3,5-dimethyl-1H-pyrazole-4-carboxylic acid | Pyraz...)
Show SMILES Cc1n[nH]c(C)c1C(O)=O
Show InChI InChI=1S/C6H8N2O2/c1-3-5(6(9)10)4(2)8-7-3/h1-2H3,(H,7,8)(H,9,10)
PDB
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PC cid
PC sid
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Article
PubMed
n/an/a>2.00E+5n/an/an/an/a7.530



Plexxikon



Assay Description
Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-...


Nat Biotechnol 23: 201-7 (2005)

More data for this
Ligand-Target Pair
Phosphodiesterase Type 4 (PDE4D)

  (349/349 = 100%)
(Homo sapiens (human))
BDBM14780
PNG
(Pyrazole carboxylic ester 3 | ethyl 3-methyl-1H-py...)
Show SMILES CCOC(=O)c1cn[nH]c1C
Show InChI InChI=1S/C7H10N2O2/c1-3-11-7(10)6-4-8-9-5(6)2/h4H,3H2,1-2H3,(H,8,9)
PDB
MMDB

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>2.00E+5n/an/an/an/a7.530



Plexxikon



Assay Description
Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-...


Nat Biotechnol 23: 201-7 (2005)

More data for this
Ligand-Target Pair
Phosphodiesterase Type 4 (PDE4D)

  (349/349 = 100%)
(Homo sapiens (human))
BDBM14778
PNG
(3,5-dimethyl-1H-pyrazole-4-carboxylic acid | Pyraz...)
Show SMILES Cc1n[nH]c(C)c1C(O)=O
Show InChI InChI=1S/C6H8N2O2/c1-3-5(6(9)10)4(2)8-7-3/h1-2H3,(H,7,8)(H,9,10)
PDB
MMDB

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PC cid
PC sid
PDB
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Article
PubMed
n/an/a>2.00E+5n/an/an/an/a7.530



Plexxikon



Assay Description
Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-...


Nat Biotechnol 23: 201-7 (2005)

More data for this
Ligand-Target Pair
Phosphodiesterase Type 4 (PDE4B)

  (309/357 = 87%)
(Homo sapiens (human))
BDBM14780
PNG
(Pyrazole carboxylic ester 3 | ethyl 3-methyl-1H-py...)
Show SMILES CCOC(=O)c1cn[nH]c1C
Show InChI InChI=1S/C7H10N2O2/c1-3-11-7(10)6-4-8-9-5(6)2/h4H,3H2,1-2H3,(H,8,9)
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


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AffyNet 
Article
PubMed
n/an/a>2.00E+5n/an/an/an/a7.530



Plexxikon



Assay Description
Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-...


Nat Biotechnol 23: 201-7 (2005)

More data for this
Ligand-Target Pair

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output