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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B' and Ligand = 'BDBM50475620'   
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
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B


(Bos taurus-BOVINE)
BDBM50475620
PNG
(CHEMBL372819)
Show SMILES [H][C@]12c3ccccc3N=C(NCCCNCCCCN)[C@@]1(C)C[C@@H](C)c1c(NC)cccc21 |t:9|
Show InChI InChI=1S/C27H39N5/c1-19-18-27(2)25(21-11-8-13-23(29-3)24(19)21)20-10-4-5-12-22(20)32-26(27)31-17-9-16-30-15-7-6-14-28/h4-5,8,10-13,19,25,29-30H,6-7,9,14-18,28H2,1-3H3,(H,31,32)/t19-,25-,27+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.20E+4n/an/an/an/an/an/a



Universit£ Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of bovine calmodulin-activated cAMP dependent phosphodiesterase


J Med Chem 49: 232-45 (2006)


Article DOI: 10.1021/jm050018q
BindingDB Entry DOI: 10.7270/Q21Z4757
More data for this
Ligand-Target Pair