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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Phosphodiesterase 4' and Ligand = 'BDBM50085135'   
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
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50085135
PNG
(4-(8-(3-nitrophenyl)-1,7-naphthyridin-6-yl)benzoic...)
Show SMILES OC(=O)c1ccc(cc1)-c1cc2cccnc2c(n1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C21H13N3O4/c25-21(26)14-8-6-13(7-9-14)18-12-16-4-2-10-22-19(16)20(23-18)15-3-1-5-17(11-15)24(27)28/h1-12H,(H,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

PDB
PubMed
n/an/a 0.600n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL




Bioorg Med Chem Lett 12: 233-5 (2001)


BindingDB Entry DOI: 10.7270/Q2MG7Q1T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 4


(RAT)
BDBM50085135
PNG
(4-(8-(3-nitrophenyl)-1,7-naphthyridin-6-yl)benzoic...)
Show SMILES OC(=O)c1ccc(cc1)-c1cc2cccnc2c(n1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C21H13N3O4/c25-21(26)14-8-6-13(7-9-14)18-12-16-4-2-10-22-19(16)20(23-18)15-3-1-5-17(11-15)24(27)28/h1-12H,(H,25,26)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
PubMed
n/an/a 49n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibitory activity against Phosphodiesterase 4B (PDE4B) from rat source expressed in Saccharomyces cerevisiae


J Med Chem 43: 675-82 (2000)


BindingDB Entry DOI: 10.7270/Q2N58N3G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)