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BDBM50100666 6,7-Dimethoxy-2-methyl-1-oxo-4-(3,4,5-trimethoxy-phenyl)-1,2-dihydro-isoquinoline-3-carboxylic acid methyl ester::CHEMBL70432

SMILES: COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2cc(OC)c(OC)cc2c(=O)n1C

InChI Key: InChIKey=SAIANZNAZKQKDP-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 = 50100666   
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))
BDBM50100666
PNG
(6,7-Dimethoxy-2-methyl-1-oxo-4-(3,4,5-trimethoxy-p...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2cc(OC)c(OC)cc2c(=O)n1C
Show InChI InChI=1S/C23H25NO8/c1-24-20(23(26)32-7)19(12-8-17(29-4)21(31-6)18(9-12)30-5)13-10-15(27-2)16(28-3)11-14(13)22(24)25/h8-11H,1-7H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 8.50E+3n/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)


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


(Rattus norvegicus)
BDBM50100666
PNG
(6,7-Dimethoxy-2-methyl-1-oxo-4-(3,4,5-trimethoxy-p...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2cc(OC)c(OC)cc2c(=O)n1C
Show InChI InChI=1S/C23H25NO8/c1-24-20(23(26)32-7)19(12-8-17(29-4)21(31-6)18(9-12)30-5)13-10-15(27-2)16(28-3)11-14(13)22(24)25/h8-11H,1-7H3
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 2.10E+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)


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


(Canis lupus familiaris)
BDBM50100666
PNG
(6,7-Dimethoxy-2-methyl-1-oxo-4-(3,4,5-trimethoxy-p...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2cc(OC)c(OC)cc2c(=O)n1C
Show InChI InChI=1S/C23H25NO8/c1-24-20(23(26)32-7)19(12-8-17(29-4)21(31-6)18(9-12)30-5)13-10-15(27-2)16(28-3)11-14(13)22(24)25/h8-11H,1-7H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 230n/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)


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