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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 = 'BDBM50335846'   
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))
BDBM50335846
PNG
((5R,11aR)5-(3,4-Dichlorophenyl)-2-tert-butyl-5,6,1...)
Show SMILES CC(C)(C)n1c(O)c2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(Cl)c(Cl)c3)n2c1=O |r|
Show InChI InChI=1S/C23H21Cl2N3O2/c1-23(2,3)28-21(29)18-11-14-13-6-4-5-7-17(13)26-19(14)20(27(18)22(28)30)12-8-9-15(24)16(25)10-12/h4-10,20,26,29H,11H2,1-3H3/t20-/m1/s1
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PC cid
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Similars

Article
PubMed
n/an/a 12n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE5 after 30 mins by fluorescence polarization assay


J Med Chem 54: 495-509 (2011)


Article DOI: 10.1021/jm100842v
BindingDB Entry DOI: 10.7270/Q2RR1ZHQ
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50335846
PNG
((5R,11aR)5-(3,4-Dichlorophenyl)-2-tert-butyl-5,6,1...)
Show SMILES CC(C)(C)n1c(O)c2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(Cl)c(Cl)c3)n2c1=O |r|
Show InChI InChI=1S/C23H21Cl2N3O2/c1-23(2,3)28-21(29)18-11-14-13-6-4-5-7-17(13)26-19(14)20(27(18)22(28)30)12-8-9-15(24)16(25)10-12/h4-10,20,26,29H,11H2,1-3H3/t20-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.87E+3n/an/an/an/an/an/a



German University in Cairo

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE5 after 30 mins by fluorescence polarization assay


J Med Chem 54: 495-509 (2011)


Article DOI: 10.1021/jm100842v
BindingDB Entry DOI: 10.7270/Q2RR1ZHQ
More data for this
Ligand-Target Pair