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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Phosphodiesterase 4 (PDE4)' and Ligand = 'BDBM336125'   
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 (PDE4)


(Homo sapiens (Human))
BDBM336125
PNG
(US9738676, Comparative Compound A)
Show SMILES CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C(=O)N2CCOCC2)[C@@](C)(C[C@@H](C)C(=O)[C@H](C)[C@H]2[C@H](SCCOc3cc(ccc3CO)C(=O)Nc3c(Cl)cncc3Cl)C(=O)O[C@]12C)OC |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a 0.100n/an/an/an/an/an/a



BASILEA PHARMACEUTICA AG

US Patent




US Patent US9738676 (2017)


Article DOI: 10.1073/pnas.0504952102
More data for this
Ligand-Target Pair