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BDBM50130026 7-(2-Methyl-pyridin-4-ylmethyl)-8-oxo-2-(pyrimidin-2-ylmethoxy)-5-(3,4,5-trimethoxy-phenyl)-7,8-dihydro-[1,7]naphthyridine-6-carboxylic acid methyl ester; hydrochloride::CHEMBL542410

SMILES: COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ncccn3)nc2c(=O)n1Cc1ccnc(C)c1

InChI Key: InChIKey=OGPOWCWQXNIIKB-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50130026   
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
cGMP-specific 3',5'-cyclic phosphodiesterase


(Canis lupus familiaris)
BDBM50130026
PNG
(7-(2-Methyl-pyridin-4-ylmethyl)-8-oxo-2-(pyrimidin...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ncccn3)nc2c(=O)n1Cc1ccnc(C)c1
Show InChI InChI=1S/C31H29N5O7/c1-18-13-19(9-12-32-18)16-36-28(31(38)42-5)26(20-14-22(39-2)29(41-4)23(15-20)40-3)21-7-8-25(35-27(21)30(36)37)43-17-24-33-10-6-11-34-24/h6-15H,16-17H2,1-5H3
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MMDB

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PubMed
n/an/a 1.90n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 (PDE5) isolated from canine lung


Bioorg Med Chem Lett 13: 2341-5 (2003)


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
Phosphodiesterase 2A


(Bos taurus)
BDBM50130026
PNG
(7-(2-Methyl-pyridin-4-ylmethyl)-8-oxo-2-(pyrimidin...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ncccn3)nc2c(=O)n1Cc1ccnc(C)c1
Show InChI InChI=1S/C31H29N5O7/c1-18-13-19(9-12-32-18)16-36-28(31(38)42-5)26(20-14-22(39-2)29(41-4)23(15-20)40-3)21-7-8-25(35-27(21)30(36)37)43-17-24-33-10-6-11-34-24/h6-15H,16-17H2,1-5H3
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n/an/a 1.00E+5n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase-2 (PDE2) isolated from bovine adrenal gland


Bioorg Med Chem Lett 13: 2341-5 (2003)


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus-Bos taurus (Bovine))
BDBM50130026
PNG
(7-(2-Methyl-pyridin-4-ylmethyl)-8-oxo-2-(pyrimidin...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ncccn3)nc2c(=O)n1Cc1ccnc(C)c1
Show InChI InChI=1S/C31H29N5O7/c1-18-13-19(9-12-32-18)16-36-28(31(38)42-5)26(20-14-22(39-2)29(41-4)23(15-20)40-3)21-7-8-25(35-27(21)30(36)37)43-17-24-33-10-6-11-34-24/h6-15H,16-17H2,1-5H3
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n/an/a 42n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against Phosphodiesterase 6 isolated from bovine retina


Bioorg Med Chem Lett 13: 2341-5 (2003)


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Homo sapiens (Human))
BDBM50130026
PNG
(7-(2-Methyl-pyridin-4-ylmethyl)-8-oxo-2-(pyrimidin...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ncccn3)nc2c(=O)n1Cc1ccnc(C)c1
Show InChI InChI=1S/C31H29N5O7/c1-18-13-19(9-12-32-18)16-36-28(31(38)42-5)26(20-14-22(39-2)29(41-4)23(15-20)40-3)21-7-8-25(35-27(21)30(36)37)43-17-24-33-10-6-11-34-24/h6-15H,16-17H2,1-5H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase-1 (PDE1) isolated from canine lung


Bioorg Med Chem Lett 13: 2341-5 (2003)


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens (Human))
BDBM50130026
PNG
(7-(2-Methyl-pyridin-4-ylmethyl)-8-oxo-2-(pyrimidin...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ncccn3)nc2c(=O)n1Cc1ccnc(C)c1
Show InChI InChI=1S/C31H29N5O7/c1-18-13-19(9-12-32-18)16-36-28(31(38)42-5)26(20-14-22(39-2)29(41-4)23(15-20)40-3)21-7-8-25(35-27(21)30(36)37)43-17-24-33-10-6-11-34-24/h6-15H,16-17H2,1-5H3
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UniChem

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PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 4 (PDE4) isolated from canine lung


Bioorg Med Chem Lett 13: 2341-5 (2003)


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (Human))
BDBM50130026
PNG
(7-(2-Methyl-pyridin-4-ylmethyl)-8-oxo-2-(pyrimidin...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ncccn3)nc2c(=O)n1Cc1ccnc(C)c1
Show InChI InChI=1S/C31H29N5O7/c1-18-13-19(9-12-32-18)16-36-28(31(38)42-5)26(20-14-22(39-2)29(41-4)23(15-20)40-3)21-7-8-25(35-27(21)30(36)37)43-17-24-33-10-6-11-34-24/h6-15H,16-17H2,1-5H3
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antibodypedia
antibodypedia
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PC sid
UniChem

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PubMed
n/an/a>2.50E+4n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase-3 (PDE3) isolated from canine heart


Bioorg Med Chem Lett 13: 2341-5 (2003)


BindingDB Entry DOI: 10.7270/Q2WQ04B2
More data for this
Ligand-Target Pair