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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 = 'BDBM50258897'   
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))		BDBM50258897
PNG
(CHEMBL4087340)
Show SMILES CCC(NC(=O)c1cnn2cccnc12)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C17H15F3N4O2/c1-2-14(11-4-6-12(7-5-11)26-17(18,19)20)23-16(25)13-10-22-24-9-3-8-21-15(13)24/h3-10,14H,2H2,1H3,(H,23,25)
PDB

UniProtKB/SwissProt

antibodypedia
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AffyNet 
PC cid
PC sid
UniChem

Similars
n/an/a 480n/an/an/an/an/an/a


TBA

Assay Description
Activity at Histamine H2 receptor using functional H2 receptor assay on guinea pig atrium

Citation and Details
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50258897
PNG
(CHEMBL4087340)
Show SMILES CCC(NC(=O)c1cnn2cccnc12)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C17H15F3N4O2/c1-2-14(11-4-6-12(7-5-11)26-17(18,19)20)23-16(25)13-10-22-24-9-3-8-21-15(13)24/h3-10,14H,2H2,1H3,(H,23,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 480n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FLAG-tagged PDE2A3 expressed in sf21 cells using [3H]cGMP as substrate by scintillation proximity assay

J Med Chem 60: 7677-7702 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00807
BindingDB Entry DOI: 10.7270/Q2P271JR
More data for this
Ligand-Target Pair