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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 = 'BDBM480489'   
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))
BDBM480489
PNG
(US10626113, Compound F | US10899756, Compound F)
Show SMILES COc1ccc(CNc2c3CNCCc3nc3ccc(Br)cc23)cc1Cl
Show InChI InChI=1S/C20H19BrClN3O/c1-26-19-5-2-12(8-16(19)22)10-24-20-14-9-13(21)3-4-17(14)25-18-6-7-23-11-15(18)20/h2-5,8-9,23H,6-7,10-11H2,1H3,(H,24,25)
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PC cid
PC sid
UniChem
n/an/a 5.40n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q2KH0SFD
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM480489
PNG
(US10626113, Compound F | US10899756, Compound F)
Show SMILES COc1ccc(CNc2c3CNCCc3nc3ccc(Br)cc23)cc1Cl
Show InChI InChI=1S/C20H19BrClN3O/c1-26-19-5-2-12(8-16(19)22)10-24-20-14-9-13(21)3-4-17(14)25-18-6-7-23-11-15(18)20/h2-5,8-9,23H,6-7,10-11H2,1H3,(H,24,25)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 5.40n/an/an/an/an/an/a



The Trustees of Columbia University in the City of New York

US Patent


Assay Description
A series of dilutions of the test compounds were prepared with 10% DMSO in assay buffer and 5 μl of the dilution was added to a 50 μl react...


US Patent US10899756 (2021)


BindingDB Entry DOI: 10.7270/Q2RN3C0P
More data for this
Ligand-Target Pair