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BDBM50066454 CHEMBL25616::Sodium; 1-{4-[(benzo[1,3]dioxol-5-ylmethyl)-amino]-6-chloro-quinazolin-2-yl}-piperidine-4-carboxylate

SMILES: [O-]C(=O)C1CCN(CC1)c1nc(NCc2ccc3OCOc3c2)c2cc(Cl)ccc2n1

InChI Key: InChIKey=QUUJQFQTLSFCKW-UHFFFAOYSA-M

Data: 7 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50066454   
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))
BDBM50066454
PNG
(CHEMBL25616 | Sodium; 1-{4-[(benzo[1,3]dioxol-5-yl...)
Show SMILES [O-]C(=O)C1CCN(CC1)c1nc(NCc2ccc3OCOc3c2)c2cc(Cl)ccc2n1
Show InChI InChI=1S/C22H21ClN4O4/c23-15-2-3-17-16(10-15)20(24-11-13-1-4-18-19(9-13)31-12-30-18)26-22(25-17)27-7-5-14(6-8-27)21(28)29/h1-4,9-10,14H,5-8,11-12H2,(H,28,29)(H,24,25,26)/p-1
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PubMed
n/an/a 8.60n/an/an/an/an/an/a



Eisai Company, Ltd

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 5 from porcine platelets


J Med Chem 41: 3367-72 (1998)


Article DOI: 10.1021/jm970815r
BindingDB Entry DOI: 10.7270/Q2MS3RXG
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Canis lupus familiaris)
BDBM50066454
PNG
(CHEMBL25616 | Sodium; 1-{4-[(benzo[1,3]dioxol-5-yl...)
Show SMILES [O-]C(=O)C1CCN(CC1)c1nc(NCc2ccc3OCOc3c2)c2cc(Cl)ccc2n1
Show InChI InChI=1S/C22H21ClN4O4/c23-15-2-3-17-16(10-15)20(24-11-13-1-4-18-19(9-13)31-12-30-18)26-22(25-17)27-7-5-14(6-8-27)21(28)29/h1-4,9-10,14H,5-8,11-12H2,(H,28,29)(H,24,25,26)/p-1
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n/an/a 1.60n/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
Phosphodiesterase 1


(Homo sapiens (Human))
BDBM50066454
PNG
(CHEMBL25616 | Sodium; 1-{4-[(benzo[1,3]dioxol-5-yl...)
Show SMILES [O-]C(=O)C1CCN(CC1)c1nc(NCc2ccc3OCOc3c2)c2cc(Cl)ccc2n1
Show InChI InChI=1S/C22H21ClN4O4/c23-15-2-3-17-16(10-15)20(24-11-13-1-4-18-19(9-13)31-12-30-18)26-22(25-17)27-7-5-14(6-8-27)21(28)29/h1-4,9-10,14H,5-8,11-12H2,(H,28,29)(H,24,25,26)/p-1
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n/an/a 4.70E+3n/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


(Homo sapiens (Human))
BDBM50066454
PNG
(CHEMBL25616 | Sodium; 1-{4-[(benzo[1,3]dioxol-5-yl...)
Show SMILES [O-]C(=O)C1CCN(CC1)c1nc(NCc2ccc3OCOc3c2)c2cc(Cl)ccc2n1
Show InChI InChI=1S/C22H21ClN4O4/c23-15-2-3-17-16(10-15)20(24-11-13-1-4-18-19(9-13)31-12-30-18)26-22(25-17)27-7-5-14(6-8-27)21(28)29/h1-4,9-10,14H,5-8,11-12H2,(H,28,29)(H,24,25,26)/p-1
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n/an/a 3.70n/an/an/an/an/an/a



Eisai Company, Ltd

Curated by ChEMBL


Assay Description
50% inhibitory concentration against phosphodiesterase 5 (PDE5) from porcine platelets


J Med Chem 43: 2523-9 (2000)


Article DOI: 10.1021/jm9905054
BindingDB Entry DOI: 10.7270/Q2T72J4N
More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (Human))
BDBM50066454
PNG
(CHEMBL25616 | Sodium; 1-{4-[(benzo[1,3]dioxol-5-yl...)
Show SMILES [O-]C(=O)C1CCN(CC1)c1nc(NCc2ccc3OCOc3c2)c2cc(Cl)ccc2n1
Show InChI InChI=1S/C22H21ClN4O4/c23-15-2-3-17-16(10-15)20(24-11-13-1-4-18-19(9-13)31-12-30-18)26-22(25-17)27-7-5-14(6-8-27)21(28)29/h1-4,9-10,14H,5-8,11-12H2,(H,28,29)(H,24,25,26)/p-1
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n/an/a>1.00E+5n/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
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50066454
PNG
(CHEMBL25616 | Sodium; 1-{4-[(benzo[1,3]dioxol-5-yl...)
Show SMILES [O-]C(=O)C1CCN(CC1)c1nc(NCc2ccc3OCOc3c2)c2cc(Cl)ccc2n1
Show InChI InChI=1S/C22H21ClN4O4/c23-15-2-3-17-16(10-15)20(24-11-13-1-4-18-19(9-13)31-12-30-18)26-22(25-17)27-7-5-14(6-8-27)21(28)29/h1-4,9-10,14H,5-8,11-12H2,(H,28,29)(H,24,25,26)/p-1
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n/an/a 1.50E+4n/an/an/an/an/an/a



Tanabe Seiyaku Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of canine adrenal gland Phosphodiesterase 2


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 4


(Homo sapiens (Human))
BDBM50066454
PNG
(CHEMBL25616 | Sodium; 1-{4-[(benzo[1,3]dioxol-5-yl...)
Show SMILES [O-]C(=O)C1CCN(CC1)c1nc(NCc2ccc3OCOc3c2)c2cc(Cl)ccc2n1
Show InChI InChI=1S/C22H21ClN4O4/c23-15-2-3-17-16(10-15)20(24-11-13-1-4-18-19(9-13)31-12-30-18)26-22(25-17)27-7-5-14(6-8-27)21(28)29/h1-4,9-10,14H,5-8,11-12H2,(H,28,29)(H,24,25,26)/p-1
PDB

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Article
PubMed
n/an/a 3.40E+3n/an/an/an/an/an/a



Tanabe Seiyaku Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of canine lung Phosphodiesterase 4


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