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BDBM50074884 2-[4-(2,3-Bis-hydroxymethyl-6,7-dimethoxy-naphthalen-1-yl)-pyridin-2-yl]-2H-phthalazin-1-one::CHEMBL12412

SMILES: COc1cc2cc(CO)c(CO)c(-c3ccnc(c3)-n3ncc4ccccc4c3=O)c2cc1OC

InChI Key: InChIKey=XYZVJIGJAYGNHT-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50074884   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phosphodiesterase 3


(Homo sapiens (Human))
BDBM50074884
PNG
(2-[4-(2,3-Bis-hydroxymethyl-6,7-dimethoxy-naphthal...)
Show SMILES COc1cc2cc(CO)c(CO)c(-c3ccnc(c3)-n3ncc4ccccc4c3=O)c2cc1OC
Show InChI InChI=1S/C27H23N3O5/c1-34-23-10-18-9-19(14-31)22(15-32)26(21(18)12-24(23)35-2)16-7-8-28-25(11-16)30-27(33)20-6-4-3-5-17(20)13-29-30/h3-13,31-32H,14-15H2,1-2H3
PDB
MMDB

UniProtKB/SwissProt

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 250n/an/an/an/an/an/a



Tanabe Seiyaku Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of Phosphodiesterase 3 activity from guinea pig cardiac ventricle


J Med Chem 42: 1088-99 (1999)


Article DOI: 10.1021/jm980314l
BindingDB Entry DOI: 10.7270/Q25M66DH
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50074884
PNG
(2-[4-(2,3-Bis-hydroxymethyl-6,7-dimethoxy-naphthal...)
Show SMILES COc1cc2cc(CO)c(CO)c(-c3ccnc(c3)-n3ncc4ccccc4c3=O)c2cc1OC
Show InChI InChI=1S/C27H23N3O5/c1-34-23-10-18-9-19(14-31)22(15-32)26(21(18)12-24(23)35-2)16-7-8-28-25(11-16)30-27(33)20-6-4-3-5-17(20)13-29-30/h3-13,31-32H,14-15H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



Tanabe Seiyaku Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 5 of guinea pig lung


J Med Chem 42: 1088-99 (1999)


Article DOI: 10.1021/jm980314l
BindingDB Entry DOI: 10.7270/Q25M66DH
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50074884
PNG
(2-[4-(2,3-Bis-hydroxymethyl-6,7-dimethoxy-naphthal...)
Show SMILES COc1cc2cc(CO)c(CO)c(-c3ccnc(c3)-n3ncc4ccccc4c3=O)c2cc1OC
Show InChI InChI=1S/C27H23N3O5/c1-34-23-10-18-9-19(14-31)22(15-32)26(21(18)12-24(23)35-2)16-7-8-28-25(11-16)30-27(33)20-6-4-3-5-17(20)13-29-30/h3-13,31-32H,14-15H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.680n/an/an/an/an/an/a



Tanabe Seiyaku Company, Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of Phosphodiesterase 4 from guinea pig lung


J Med Chem 42: 1088-99 (1999)


Article DOI: 10.1021/jm980314l
BindingDB Entry DOI: 10.7270/Q25M66DH
More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Homo sapiens (Human))
BDBM50074884
PNG
(2-[4-(2,3-Bis-hydroxymethyl-6,7-dimethoxy-naphthal...)
Show SMILES COc1cc2cc(CO)c(CO)c(-c3ccnc(c3)-n3ncc4ccccc4c3=O)c2cc1OC
Show InChI InChI=1S/C27H23N3O5/c1-34-23-10-18-9-19(14-31)22(15-32)26(21(18)12-24(23)35-2)16-7-8-28-25(11-16)30-27(33)20-6-4-3-5-17(20)13-29-30/h3-13,31-32H,14-15H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



Tanabe Seiyaku Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 1 of guinea pig cardiac ventricle


J Med Chem 42: 1088-99 (1999)


Article DOI: 10.1021/jm980314l
BindingDB Entry DOI: 10.7270/Q25M66DH
More data for this
Ligand-Target Pair