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BDBM50100670 CHEMBL553786::methyl 2-(4-aminophenyl)-1-oxo-7-(4-pyridylmethoxy)-4-(3,4,5-trimethoxyphenyl)-1,2-dihydro-3-isoquinolinecarboxylate.dihydrochloride

SMILES: COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ccncc3)cc2c(=O)n1-c1ccc(N)cc1

InChI Key: InChIKey=PXMVFFZDJQCKOX-UHFFFAOYSA-N

Data: 5 IC50  1 EC50

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 = 50100670   
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 4


(Homo sapiens (Human))
BDBM50100670
PNG
(CHEMBL553786 | methyl 2-(4-aminophenyl)-1-oxo-7-(4...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ccncc3)cc2c(=O)n1-c1ccc(N)cc1
Show InChI InChI=1S/C32H29N3O7/c1-38-26-15-20(16-27(39-2)30(26)40-3)28-24-10-9-23(42-18-19-11-13-34-14-12-19)17-25(24)31(36)35(29(28)32(37)41-4)22-7-5-21(33)6-8-22/h5-17H,18,33H2,1-4H3
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n/an/a 7.00E+3n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of canine lung Phosphodiesterase 4 (PDE4)


J Med Chem 44: 2204-18 (2001)


Article DOI: 10.1021/jm000558h
BindingDB Entry DOI: 10.7270/Q2QR4XT5
More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (Human))
BDBM50100670
PNG
(CHEMBL553786 | methyl 2-(4-aminophenyl)-1-oxo-7-(4...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ccncc3)cc2c(=O)n1-c1ccc(N)cc1
Show InChI InChI=1S/C32H29N3O7/c1-38-26-15-20(16-27(39-2)30(26)40-3)28-24-10-9-23(42-18-19-11-13-34-14-12-19)17-25(24)31(36)35(29(28)32(37)41-4)22-7-5-21(33)6-8-22/h5-17H,18,33H2,1-4H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against canine heart Phosphodiesterase 3 (PDE3)


J Med Chem 44: 2204-18 (2001)


Article DOI: 10.1021/jm000558h
BindingDB Entry DOI: 10.7270/Q2QR4XT5
More data for this
Ligand-Target Pair
Phosphodiesterase 2A


(Bos taurus)
BDBM50100670
PNG
(CHEMBL553786 | methyl 2-(4-aminophenyl)-1-oxo-7-(4...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ccncc3)cc2c(=O)n1-c1ccc(N)cc1
Show InChI InChI=1S/C32H29N3O7/c1-38-26-15-20(16-27(39-2)30(26)40-3)28-24-10-9-23(42-18-19-11-13-34-14-12-19)17-25(24)31(36)35(29(28)32(37)41-4)22-7-5-21(33)6-8-22/h5-17H,18,33H2,1-4H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of bovine adrenal gland Phosphodiesterase 2 (PDE2)


J Med Chem 44: 2204-18 (2001)


Article DOI: 10.1021/jm000558h
BindingDB Entry DOI: 10.7270/Q2QR4XT5
More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Rattus norvegicus)
BDBM50100670
PNG
(CHEMBL553786 | methyl 2-(4-aminophenyl)-1-oxo-7-(4...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ccncc3)cc2c(=O)n1-c1ccc(N)cc1
Show InChI InChI=1S/C32H29N3O7/c1-38-26-15-20(16-27(39-2)30(26)40-3)28-24-10-9-23(42-18-19-11-13-34-14-12-19)17-25(24)31(36)35(29(28)32(37)41-4)22-7-5-21(33)6-8-22/h5-17H,18,33H2,1-4H3
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n/an/a 9.50E+3n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against rat heart Phosphodiesterase 1(PDE1)


J Med Chem 44: 2204-18 (2001)


Article DOI: 10.1021/jm000558h
BindingDB Entry DOI: 10.7270/Q2QR4XT5
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Canis lupus familiaris)
BDBM50100670
PNG
(CHEMBL553786 | methyl 2-(4-aminophenyl)-1-oxo-7-(4...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ccncc3)cc2c(=O)n1-c1ccc(N)cc1
Show InChI InChI=1S/C32H29N3O7/c1-38-26-15-20(16-27(39-2)30(26)40-3)28-24-10-9-23(42-18-19-11-13-34-14-12-19)17-25(24)31(36)35(29(28)32(37)41-4)22-7-5-21(33)6-8-22/h5-17H,18,33H2,1-4H3
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n/an/a 3.10n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory activity against canine lung Phosphodiesterase 5 (PDE5)


J Med Chem 44: 2204-18 (2001)


Article DOI: 10.1021/jm000558h
BindingDB Entry DOI: 10.7270/Q2QR4XT5
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50100670
PNG
(CHEMBL553786 | methyl 2-(4-aminophenyl)-1-oxo-7-(4...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ccncc3)cc2c(=O)n1-c1ccc(N)cc1
Show InChI InChI=1S/C32H29N3O7/c1-38-26-15-20(16-27(39-2)30(26)40-3)28-24-10-9-23(42-18-19-11-13-34-14-12-19)17-25(24)31(36)35(29(28)32(37)41-4)22-7-5-21(33)6-8-22/h5-17H,18,33H2,1-4H3
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n/an/an/an/a 12n/an/an/an/a



Tanabe Seiyaku Co., Ltd

Curated by ChEMBL


Assay Description
Relaxant effect on isolated rabbit corpus cavernosum


J Med Chem 44: 2204-18 (2001)


Article DOI: 10.1021/jm000558h
BindingDB Entry DOI: 10.7270/Q2QR4XT5
More data for this
Ligand-Target Pair