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BDBM50100672 2-(4-Amino-phenyl)-6,7-diethoxy-1-oxo-4-(3,4,5-trimethoxy-phenyl)-1,2-dihydro-isoquinoline-3-carboxylic acid methyl ester; hydrochloride::CHEMBL545221

SMILES: CCOc1cc2c(-c3cc(OC)c(OC)c(OC)c3)c(C(=O)OC)n(-c3ccc(N)cc3)c(=O)c2cc1OCC

InChI Key: InChIKey=YLQDGZGJWWZLJN-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50100672   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
cGMP-specific 3',5'-cyclic phosphodiesterase


(Canis lupus familiaris)
BDBM50100672
PNG
(2-(4-Amino-phenyl)-6,7-diethoxy-1-oxo-4-(3,4,5-tri...)
Show SMILES CCOc1cc2c(-c3cc(OC)c(OC)c(OC)c3)c(C(=O)OC)n(-c3ccc(N)cc3)c(=O)c2cc1OCC
Show InChI InChI=1S/C30H32N2O8/c1-7-39-22-15-20-21(16-23(22)40-8-2)29(33)32(19-11-9-18(31)10-12-19)27(30(34)38-6)26(20)17-13-24(35-3)28(37-5)25(14-17)36-4/h9-16H,7-8,31H2,1-6H3
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PC sid
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Similars

Article
PubMed
n/an/a 27n/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
Phosphodiesterase 1


(Rattus norvegicus)
BDBM50100672
PNG
(2-(4-Amino-phenyl)-6,7-diethoxy-1-oxo-4-(3,4,5-tri...)
Show SMILES CCOc1cc2c(-c3cc(OC)c(OC)c(OC)c3)c(C(=O)OC)n(-c3ccc(N)cc3)c(=O)c2cc1OCC
Show InChI InChI=1S/C30H32N2O8/c1-7-39-22-15-20-21(16-23(22)40-8-2)29(33)32(19-11-9-18(31)10-12-19)27(30(34)38-6)26(20)17-13-24(35-3)28(37-5)25(14-17)36-4/h9-16H,7-8,31H2,1-6H3
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Article
PubMed
n/an/a>1.00E+4n/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
Phosphodiesterase 3


(Homo sapiens (Human))
BDBM50100672
PNG
(2-(4-Amino-phenyl)-6,7-diethoxy-1-oxo-4-(3,4,5-tri...)
Show SMILES CCOc1cc2c(-c3cc(OC)c(OC)c(OC)c3)c(C(=O)OC)n(-c3ccc(N)cc3)c(=O)c2cc1OCC
Show InChI InChI=1S/C30H32N2O8/c1-7-39-22-15-20-21(16-23(22)40-8-2)29(33)32(19-11-9-18(31)10-12-19)27(30(34)38-6)26(20)17-13-24(35-3)28(37-5)25(14-17)36-4/h9-16H,7-8,31H2,1-6H3
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PC cid
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Article
PubMed
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