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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Phosphodiesterase 4' and Ligand = 'BDBM86219'   
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


(RAT)
BDBM86219
PNG
(CAS_5537 | NSC_5537 | Trequinsin)
Show SMILES COc1cc2CCn3c(cc(=Nc4c(C)cc(C)cc4C)n(C)c3=O)-c2cc1OC |w:11.11|
Show InChI InChI=1S/C24H27N3O3/c1-14-9-15(2)23(16(3)10-14)25-22-13-19-18-12-21(30-6)20(29-5)11-17(18)7-8-27(19)24(28)26(22)4/h9-13H,7-8H2,1-6H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
3.15E+3n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 565-72 (2003)


Article DOI: 10.1124/jpet.102.47407
BindingDB Entry DOI: 10.7270/Q23B5XQG
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(RAT)
BDBM86219
PNG
(CAS_5537 | NSC_5537 | Trequinsin)
Show SMILES COc1cc2CCn3c(cc(=Nc4c(C)cc(C)cc4C)n(C)c3=O)-c2cc1OC |w:11.11|
Show InChI InChI=1S/C24H27N3O3/c1-14-9-15(2)23(16(3)10-14)25-22-13-19-18-12-21(30-6)20(29-5)11-17(18)7-8-27(19)24(28)26(22)4/h9-13H,7-8H2,1-6H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Tennessee

Curated by PDSP Ki Database




J Pharmacol Exp Ther 305: 565-72 (2003)


Article DOI: 10.1124/jpet.102.47407
BindingDB Entry DOI: 10.7270/Q23B5XQG
More data for this
Ligand-Target Pair