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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'cGMP-specific 3',5'-cyclic phosphodiesterase' and Ligand = 'BDBM50297799'   
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-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50297799
PNG
(4-(cyclohexylmethyl)-6-(3,5-dimethylisoxazol-4-yl)...)
Show SMILES Cc1noc(C)c1-c1ccc2nc(NCCN3CCOCC3)c(=O)n(CC3CCCCC3)c2n1
Show InChI InChI=1S/C25H34N6O3/c1-17-22(18(2)34-29-17)20-8-9-21-24(28-20)31(16-19-6-4-3-5-7-19)25(32)23(27-21)26-10-11-30-12-14-33-15-13-30/h8-9,19H,3-7,10-16H2,1-2H3,(H,26,27)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 19: 4088-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.012
BindingDB Entry DOI: 10.7270/Q23R0SXR
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50297799
PNG
(4-(cyclohexylmethyl)-6-(3,5-dimethylisoxazol-4-yl)...)
Show SMILES Cc1noc(C)c1-c1ccc2nc(NCCN3CCOCC3)c(=O)n(CC3CCCCC3)c2n1
Show InChI InChI=1S/C25H34N6O3/c1-17-22(18(2)34-29-17)20-8-9-21-24(28-20)31(16-19-6-4-3-5-7-19)25(32)23(27-21)26-10-11-30-12-14-33-15-13-30/h8-9,19H,3-7,10-16H2,1-2H3,(H,26,27)
PDB
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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 36n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of PDE5 (unknown origin)


Citation and Details

Article DOI: 10.1007/s00044-010-9523-y
BindingDB Entry DOI: 10.7270/Q2JW8HS3
More data for this
Ligand-Target Pair