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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Exopolyphosphatase PRUNE1'   
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
Exopolyphosphatase PRUNE1


(Homo sapiens (Human))
BDBM50391180
PNG
(CHEMBL348601)
Show SMILES COc1ccc(CNc2nc(nc3c(NCc4ccc(OC)cc4)nc(nc23)N(CCO)CCO)N(CCO)CCO)cc1
Show InChI InChI=1S/C30H40N8O6/c1-43-23-7-3-21(4-8-23)19-31-27-25-26(34-29(35-27)37(11-15-39)12-16-40)28(32-20-22-5-9-24(44-2)10-6-22)36-30(33-25)38(13-17-41)14-18-42/h3-10,39-42H,11-20H2,1-2H3,(H,31,34,35)(H,32,33,36)
KEGG

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 210n/an/an/an/an/an/a



Universit£ degli Studi di Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of purified human prune assessed as reduction of cAMP-phosphodiesterase activity by SPA


Eur J Med Chem 57: 41-50 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.020
BindingDB Entry DOI: 10.7270/Q2W66MW4
More data for this
Ligand-Target Pair
Exopolyphosphatase PRUNE1


(Homo sapiens (Human))
BDBM23620
PNG
(2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(piperidin...)
Show SMILES OCCN(CCO)c1nc(N2CCCCC2)c2nc(nc(N3CCCCC3)c2n1)N(CCO)CCO
Show InChI InChI=1S/C24H40N8O4/c33-15-11-31(12-16-34)23-26-20-19(21(27-23)29-7-3-1-4-8-29)25-24(32(13-17-35)14-18-36)28-22(20)30-9-5-2-6-10-30/h33-36H,1-18H2
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
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CHEMBL
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MCE
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 780n/an/an/an/an/an/a



Universit£ degli Studi di Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of human prune assessed as reduction of cAMP-phosphodiesterase activity


Eur J Med Chem 57: 41-50 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.020
BindingDB Entry DOI: 10.7270/Q2W66MW4
More data for this
Ligand-Target Pair