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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'cGMP-dependent 3',5'-cyclic phosphodiesterase' and Ligand = 'BDBM50085599'   
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
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50085599
PNG
(CHEMBL3427725 | US11419874, Example 29)
Show SMILES Cc1nc2ccncc2n2c(nnc12)-c1cc(COCC(F)(F)F)ccc1Cl
Show InChI InChI=1S/C18H13ClF3N5O/c1-10-16-25-26-17(27(16)15-7-23-5-4-14(15)24-10)12-6-11(2-3-13(12)19)8-28-9-18(20,21)22/h2-7H,8-9H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
Isolated cardiomyocytes were washed twice in PBS at room temperature, transferred to 4% paraformaldehyde (PFA) and gently shaken for 30 min, then was...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2CR5XK9
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50085599
PNG
(CHEMBL3427725 | US11419874, Example 29)
Show SMILES Cc1nc2ccncc2n2c(nnc12)-c1cc(COCC(F)(F)F)ccc1Cl
Show InChI InChI=1S/C18H13ClF3N5O/c1-10-16-25-26-17(27(16)15-7-23-5-4-14(15)24-10)12-6-11(2-3-13(12)19)8-28-9-18(20,21)22/h2-7H,8-9H2,1H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Janssen Pharmaceutica N.V.

Curated by ChEMBL


Assay Description
Inhibition of 6-His-tagged human recombinant PDE2A expressed in Sf9 cells using [3H]cGMP incubated for 40 mins by scintillation proximity assay


ACS Med Chem Lett 6: 282-6 (2015)


Article DOI: 10.1021/ml500463t
BindingDB Entry DOI: 10.7270/Q2319XMJ
More data for this
Ligand-Target Pair