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PDB code 4MYQ

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 4 hits 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
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50346121
PNG
(2-(4-(2-(5-chlorothiophen-2-yl)-5-ethyl-6-methylpy...)
Show SMILES CCc1c(C)nc(nc1Nc1ccc(CC(O)=O)cc1)-c1ccc(Cl)s1
Show InChI InChI=1S/C19H18ClN3O2S/c1-3-14-11(2)21-19(15-8-9-16(20)26-15)23-18(14)22-13-6-4-12(5-7-13)10-17(24)25/h4-9H,3,10H2,1-2H3,(H,24,25)(H,21,22,23)
PDB

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Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B1 incubated for 10 mins using cAMP and [3H]cAMP substrates


Bioorg Med Chem Lett 19: 3174-6 (2009)

More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50346121
PNG
(2-(4-(2-(5-chlorothiophen-2-yl)-5-ethyl-6-methylpy...)
Show SMILES CCc1c(C)nc(nc1Nc1ccc(CC(O)=O)cc1)-c1ccc(Cl)s1
Show InChI InChI=1S/C19H18ClN3O2S/c1-3-14-11(2)21-19(15-8-9-16(20)26-15)23-18(14)22-13-6-4-12(5-7-13)10-17(24)25/h4-9H,3,10H2,1-2H3,(H,24,25)(H,21,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

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Article
PubMed
n/an/a 55n/an/an/an/an/an/a



Northern Illinois University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B1


Bioorg Med Chem Lett 24: 4031-4 (2014)

More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D

  (313/367 = 85%)
(Homo sapiens (Human))
BDBM50346121
PNG
(2-(4-(2-(5-chlorothiophen-2-yl)-5-ethyl-6-methylpy...)
Show SMILES CCc1c(C)nc(nc1Nc1ccc(CC(O)=O)cc1)-c1ccc(Cl)s1
Show InChI InChI=1S/C19H18ClN3O2S/c1-3-14-11(2)21-19(15-8-9-16(20)26-15)23-18(14)22-13-6-4-12(5-7-13)10-17(24)25/h4-9H,3,10H2,1-2H3,(H,24,25)(H,21,22,23)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC sid
PDB
UniChem

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PDB
Article
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



Asahi Kasei Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D3 incubated for 10 mins using cAMP and [3H]cAMP substrates


Bioorg Med Chem Lett 19: 3174-6 (2009)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4D

  (313/367 = 85%)
(Homo sapiens (Human))
BDBM50346121
PNG
(2-(4-(2-(5-chlorothiophen-2-yl)-5-ethyl-6-methylpy...)
Show SMILES CCc1c(C)nc(nc1Nc1ccc(CC(O)=O)cc1)-c1ccc(Cl)s1
Show InChI InChI=1S/C19H18ClN3O2S/c1-3-14-11(2)21-19(15-8-9-16(20)26-15)23-18(14)22-13-6-4-12(5-7-13)10-17(24)25/h4-9H,3,10H2,1-2H3,(H,24,25)(H,21,22,23)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Northern Illinois University

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D7


Bioorg Med Chem Lett 24: 4031-4 (2014)

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

Search BindingMOAD for More Affinity Data:

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