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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'cGMP-specific 3',5'-cyclic phosphodiesterase' and Ligand = 'BDBM50238852'   
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))
BDBM50238852
PNG
(CHEMBL4084753)
Show SMILES Oc1ccc(Cc2[nH]c(-c3ccncn3)c3c2oc2ccccc2c3=O)cc1
Show InChI InChI=1S/C22H15N3O3/c26-14-7-5-13(6-8-14)11-17-22-19(20(25-17)16-9-10-23-12-24-16)21(27)15-3-1-2-4-18(15)28-22/h1-10,12,25-26H,11H2
PDB
MMDB

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Article
PubMed
n/an/a 56n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of PDE5A1 catalytic domain (535 to 860 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using [3H]cGMP as substrate afte...


J Med Chem 60: 6622-6637 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00523
BindingDB Entry DOI: 10.7270/Q23N25NF
More data for this
Ligand-Target Pair