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BDBM50052098 CHEMBL285361::[3-Hydroxymethyl-6,7-dimethoxy-1-(3,4,5-trimethoxy-phenyl)-naphthalen-2-yl]-methanol

SMILES: COc1cc2cc(CO)c(CO)c(-c3cc(OC)c(OC)c(OC)c3)c2cc1OC

InChI Key: InChIKey=NZKILVAZKDWRAR-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 = 50052098   
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


(Homo sapiens (Human))
BDBM50052098
PNG
(CHEMBL285361 | [3-Hydroxymethyl-6,7-dimethoxy-1-(3...)
Show SMILES COc1cc2cc(CO)c(CO)c(-c3cc(OC)c(OC)c(OC)c3)c2cc1OC
Show InChI InChI=1S/C23H26O7/c1-26-18-7-13-6-15(11-24)17(12-25)22(16(13)10-19(18)27-2)14-8-20(28-3)23(30-5)21(9-14)29-4/h6-10,24-25H,11-12H2,1-5H3
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Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Tan£be Seiyaku Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition in vitro of Phosphodiesterase 5 isolated from guinea pig lung


J Med Chem 39: 2696-704 (1996)


Article DOI: 10.1021/jm9509096
BindingDB Entry DOI: 10.7270/Q2WS8TW7
More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (Human))
BDBM50052098
PNG
(CHEMBL285361 | [3-Hydroxymethyl-6,7-dimethoxy-1-(3...)
Show SMILES COc1cc2cc(CO)c(CO)c(-c3cc(OC)c(OC)c(OC)c3)c2cc1OC
Show InChI InChI=1S/C23H26O7/c1-26-18-7-13-6-15(11-24)17(12-25)22(16(13)10-19(18)27-2)14-8-20(28-3)23(30-5)21(9-14)29-4/h6-10,24-25H,11-12H2,1-5H3
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Article
PubMed
n/an/a 880n/an/an/an/an/an/a



Tanabe Seiyaku Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 3 (PDE 3) isolated from cardiac ventricle


J Med Chem 42: 1293-305 (1999)


Article DOI: 10.1021/jm9807048
BindingDB Entry DOI: 10.7270/Q27P8XKH
More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Homo sapiens (Human))
BDBM50052098
PNG
(CHEMBL285361 | [3-Hydroxymethyl-6,7-dimethoxy-1-(3...)
Show SMILES COc1cc2cc(CO)c(CO)c(-c3cc(OC)c(OC)c(OC)c3)c2cc1OC
Show InChI InChI=1S/C23H26O7/c1-26-18-7-13-6-15(11-24)17(12-25)22(16(13)10-19(18)27-2)14-8-20(28-3)23(30-5)21(9-14)29-4/h6-10,24-25H,11-12H2,1-5H3
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Article
PubMed
n/an/a 1.80E+4n/an/an/an/an/an/a



Tanabe Seiyaku Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 1 (PDE I), isolated from cardiac ventricle


J Med Chem 42: 1293-305 (1999)


Article DOI: 10.1021/jm9807048
BindingDB Entry DOI: 10.7270/Q27P8XKH
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Canis lupus familiaris)
BDBM50052098
PNG
(CHEMBL285361 | [3-Hydroxymethyl-6,7-dimethoxy-1-(3...)
Show SMILES COc1cc2cc(CO)c(CO)c(-c3cc(OC)c(OC)c(OC)c3)c2cc1OC
Show InChI InChI=1S/C23H26O7/c1-26-18-7-13-6-15(11-24)17(12-25)22(16(13)10-19(18)27-2)14-8-20(28-3)23(30-5)21(9-14)29-4/h6-10,24-25H,11-12H2,1-5H3
PDB
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Reactome pathway
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Article
PubMed
n/an/a 1.30E+4n/an/an/an/an/an/a



Tanabe Seiyaku Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 (PDE V), isolated from cardiac ventricle


J Med Chem 42: 1293-305 (1999)


Article DOI: 10.1021/jm9807048
BindingDB Entry DOI: 10.7270/Q27P8XKH
More data for this
Ligand-Target Pair