BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 81 hits with Last Name = 'ishihara' and Initial = 'h'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/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))		BDBM50089825
PNG
(1-[4-(3-Chloro-4-methoxy-benzylamino)-6-nitro-phth...)
Show SMILES COc1ccc(CNc2nnc(N3CCC(O)CC3)c3ccc(cc23)[N+]([O-])=O)cc1Cl
Show InChI InChI=1S/C21H22ClN5O4/c1-31-19-5-2-13(10-18(19)22)12-23-20-17-11-14(27(29)30)3-4-16(17)21(25-24-20)26-8-6-15(28)7-9-26/h2-5,10-11,15,28H,6-9,12H2,1H3,(H,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 0.300n/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)


BindingDB Entry DOI: 10.7270/Q2T72J4N
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50089837
PNG
(4-(3-Chloro-4-methoxy-benzylamino)-1-thiomorpholin...)
Show SMILES COc1ccc(CNc2nnc(N3CCSCC3)c3ccc(cc23)C#N)cc1Cl
Show InChI InChI=1S/C21H20ClN5OS/c1-28-19-5-3-15(11-18(19)22)13-24-20-17-10-14(12-23)2-4-16(17)21(26-25-20)27-6-8-29-9-7-27/h2-5,10-11H,6-9,13H2,1H3,(H,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 0.320n/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)


BindingDB Entry DOI: 10.7270/Q2T72J4N
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50089826
PNG
(1-[4-(3-Chloro-4-methoxy-benzylamino)-6-cyano-phth...)
Show SMILES COc1ccc(CNc2nnc(N3CCC(CC3)C(N)=O)c3ccc(cc23)C#N)cc1Cl
Show InChI InChI=1S/C23H23ClN6O2/c1-32-20-5-3-15(11-19(20)24)13-27-22-18-10-14(12-25)2-4-17(18)23(29-28-22)30-8-6-16(7-9-30)21(26)31/h2-5,10-11,16H,6-9,13H2,1H3,(H2,26,31)(H,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 0.5n/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)


BindingDB Entry DOI: 10.7270/Q2T72J4N
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50089807
PNG
(4-(3-Chloro-4-methoxy-benzylamino)-1-(4-oxo-piperi...)
Show SMILES COc1ccc(CNc2nnc(N3CCC(=O)CC3)c3ccc(cc23)C#N)cc1Cl
Show InChI InChI=1S/C22H20ClN5O2/c1-30-20-5-3-15(11-19(20)23)13-25-21-18-10-14(12-24)2-4-17(18)22(27-26-21)28-8-6-16(29)7-9-28/h2-5,10-11H,6-9,13H2,1H3,(H,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 0.530n/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)


BindingDB Entry DOI: 10.7270/Q2T72J4N
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50089833
PNG
(4-(3-Chloro-4-methoxy-benzylamino)-1-piperidin-1-y...)
Show SMILES COc1ccc(CNc2nnc(N3CCCCC3)c3ccc(cc23)C#N)cc1Cl
Show InChI InChI=1S/C22H22ClN5O/c1-29-20-8-6-16(12-19(20)23)14-25-21-18-11-15(13-24)5-7-17(18)22(27-26-21)28-9-3-2-4-10-28/h5-8,11-12H,2-4,9-10,14H2,1H3,(H,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 0.550n/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)


BindingDB Entry DOI: 10.7270/Q2T72J4N
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50089814
PNG
(4-(3-Chloro-4-methoxy-benzylamino)-1-(4-hydroxy-pi...)
Show SMILES COc1ccc(CNc2nnc(N3CCC(O)CC3)c3ccc(cc23)C#N)cc1Cl
Show InChI InChI=1S/C22H22ClN5O2/c1-30-20-5-3-15(11-19(20)23)13-25-21-18-10-14(12-24)2-4-17(18)22(27-26-21)28-8-6-16(29)7-9-28/h2-5,10-11,16,29H,6-9,13H2,1H3,(H,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 0.560n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 5 (PDE5) from porcine platelets, range 0.442-0.710

J Med Chem 43: 2523-9 (2000)


BindingDB Entry DOI: 10.7270/Q2T72J4N
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50089827
PNG
(4-(3-Chloro-4-methoxy-benzylamino)-1-[4-(2-hydroxy...)
Show SMILES COc1ccc(CNc2nnc(N3CCC(CCO)CC3)c3ccc(cc23)C#N)cc1Cl
Show InChI InChI=1S/C24H26ClN5O2/c1-32-22-5-3-18(13-21(22)25)15-27-23-20-12-17(14-26)2-4-19(20)24(29-28-23)30-9-6-16(7-10-30)8-11-31/h2-5,12-13,16,31H,6-11,15H2,1H3,(H,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 0.700n/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)


BindingDB Entry DOI: 10.7270/Q2T72J4N
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50369544
PNG
(CHEMBL545012)
Show SMILES COc1ccc(CNc2nnc(N3CCS(=O)CC3)c3ccc(cc23)C#N)cc1Cl
Show InChI InChI=1S/C21H20ClN5O2S/c1-29-19-5-3-15(11-18(19)22)13-24-20-17-10-14(12-23)2-4-16(17)21(26-25-20)27-6-8-30(28)9-7-27/h2-5,10-11H,6-9,13H2,1H3,(H,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 0.700n/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)


BindingDB Entry DOI: 10.7270/Q2T72J4N
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50089821
PNG
(4-(3-Chloro-4-methoxy-benzylamino)-1-(4-hydroxy-4-...)
Show SMILES COc1ccc(CNc2nnc(N3CCC(C)(O)CC3)c3ccc(cc23)C#N)cc1Cl
Show InChI InChI=1S/C23H24ClN5O2/c1-23(30)7-9-29(10-8-23)22-17-5-3-15(13-25)11-18(17)21(27-28-22)26-14-16-4-6-20(31-2)19(24)12-16/h3-6,11-12,30H,7-10,14H2,1-2H3,(H,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 0.700n/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)


BindingDB Entry DOI: 10.7270/Q2T72J4N
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50089815
PNG
(1-[4-(3-Chloro-4-methoxy-benzylamino)-6-trifluorom...)
Show SMILES COc1ccc(CNc2nnc(N3CCC(O)CC3)c3ccc(cc23)C(F)(F)F)cc1Cl
Show InChI InChI=1S/C22H22ClF3N4O2/c1-32-19-5-2-13(10-18(19)23)12-27-20-17-11-14(22(24,25)26)3-4-16(17)21(29-28-20)30-8-6-15(31)7-9-30/h2-5,10-11,15,31H,6-9,12H2,1H3,(H,27,28)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 0.730n/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)


BindingDB Entry DOI: 10.7270/Q2T72J4N
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50089841
PNG
(4-(3-Chloro-4-methoxy-benzylamino)-1-(1,1-dioxo-1l...)
Show SMILES COc1ccc(CNc2nnc(N3CCS(=O)(=O)CC3)c3ccc(cc23)C#N)cc1Cl
Show InChI InChI=1S/C21H20ClN5O3S/c1-30-19-5-3-15(11-18(19)22)13-24-20-17-10-14(12-23)2-4-16(17)21(26-25-20)27-6-8-31(28,29)9-7-27/h2-5,10-11H,6-9,13H2,1H3,(H,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 0.790n/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)


BindingDB Entry DOI: 10.7270/Q2T72J4N
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50089832
PNG
(1-[6,7-Dichloro-4-(3-chloro-4-methoxy-benzylamino)...)
Show SMILES COc1ccc(CNc2nnc(N3CCC(O)CC3)c3cc(Cl)c(Cl)cc23)cc1Cl
Show InChI InChI=1S/C21H21Cl3N4O2/c1-30-19-3-2-12(8-18(19)24)11-25-20-14-9-16(22)17(23)10-15(14)21(27-26-20)28-6-4-13(29)5-7-28/h2-3,8-10,13,29H,4-7,11H2,1H3,(H,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 0.860n/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)


BindingDB Entry DOI: 10.7270/Q2T72J4N
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50089820
PNG
(4-(3-Chloro-4-methoxy-benzylamino)-1-(4-hydroxymet...)
Show SMILES COc1ccc(CNc2nnc(N3CCC(CO)CC3)c3ccc(cc23)C#N)cc1Cl
Show InChI InChI=1S/C23H24ClN5O2/c1-31-21-5-3-17(11-20(21)24)13-26-22-19-10-16(12-25)2-4-18(19)23(28-27-22)29-8-6-15(14-30)7-9-29/h2-5,10-11,15,30H,6-9,13-14H2,1H3,(H,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 0.930n/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)


BindingDB Entry DOI: 10.7270/Q2T72J4N
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50089830
PNG
(4-(3-Chloro-4-methoxy-benzylamino)-1-(4-methyl-pip...)
Show SMILES COc1ccc(CNc2nnc(N3CCN(C)CC3)c3ccc(cc23)C#N)cc1Cl
Show InChI InChI=1S/C22H23ClN6O/c1-28-7-9-29(10-8-28)22-17-5-3-15(13-24)11-18(17)21(26-27-22)25-14-16-4-6-20(30-2)19(23)12-16/h3-6,11-12H,7-10,14H2,1-2H3,(H,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 0.950n/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)


BindingDB Entry DOI: 10.7270/Q2T72J4N
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50089816
PNG
(4-(3-Chloro-4-methoxy-benzylamino)-1-(4-methoxy-pi...)
Show SMILES COC1CCN(CC1)c1nnc(NCc2ccc(OC)c(Cl)c2)c2cc(ccc12)C#N
Show InChI InChI=1S/C23H24ClN5O2/c1-30-17-7-9-29(10-8-17)23-18-5-3-15(13-25)11-19(18)22(27-28-23)26-14-16-4-6-21(31-2)20(24)12-16/h3-6,11-12,17H,7-10,14H2,1-2H3,(H,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 1.10n/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)


BindingDB Entry DOI: 10.7270/Q2T72J4N
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50089838
PNG
(4-(3-Chloro-4-methoxy-benzylamino)-1-(3-hydroxy-pi...)
Show SMILES COc1ccc(CNc2nnc(N3CCCC(O)C3)c3ccc(cc23)C#N)cc1Cl
Show InChI InChI=1S/C22H22ClN5O2/c1-30-20-7-5-15(10-19(20)23)12-25-21-18-9-14(11-24)4-6-17(18)22(27-26-21)28-8-2-3-16(29)13-28/h4-7,9-10,16,29H,2-3,8,12-13H2,1H3,(H,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 1.20n/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)


BindingDB Entry DOI: 10.7270/Q2T72J4N
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50089809
PNG
(4-(3-Chloro-4-methoxy-benzylamino)-1-piperazin-1-y...)
Show SMILES COc1ccc(CNc2nnc(N3CCNCC3)c3ccc(cc23)C#N)cc1Cl
Show InChI InChI=1S/C21H21ClN6O/c1-29-19-5-3-15(11-18(19)22)13-25-20-17-10-14(12-23)2-4-16(17)21(27-26-20)28-8-6-24-7-9-28/h2-5,10-11,24H,6-9,13H2,1H3,(H,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 1.20n/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)


BindingDB Entry DOI: 10.7270/Q2T72J4N
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50089842
PNG
(4-(3-Chloro-4-methoxy-benzylamino)-1-imidazol-1-yl...)
Show SMILES COc1ccc(CNc2nnc(-n3ccnc3)c3ccc(cc23)C#N)cc1Cl
Show InChI InChI=1S/C20H15ClN6O/c1-28-18-5-3-14(9-17(18)21)11-24-19-16-8-13(10-22)2-4-15(16)20(26-25-19)27-7-6-23-12-27/h2-9,12H,11H2,1H3,(H,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.5n/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)


BindingDB Entry DOI: 10.7270/Q2T72J4N
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50089818
PNG
(4-(3-Chloro-4-methoxy-benzylamino)-1-[4-(2-hydroxy...)
Show SMILES COc1ccc(CNc2nnc(N3CCN(CCO)CC3)c3ccc(cc23)C#N)cc1Cl
Show InChI InChI=1S/C23H25ClN6O2/c1-32-21-5-3-17(13-20(21)24)15-26-22-19-12-16(14-25)2-4-18(19)23(28-27-22)30-8-6-29(7-9-30)10-11-31/h2-5,12-13,31H,6-11,15H2,1H3,(H,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 1.70n/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)


BindingDB Entry DOI: 10.7270/Q2T72J4N
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50089812
PNG
(4-(3-Chloro-4-methoxy-benzylamino)-1-(3,6-dihydro-...)
Show SMILES COc1ccc(CNc2nnc(N3CCC=CC3)c3ccc(cc23)C#N)cc1Cl |c:15|
Show InChI InChI=1S/C22H20ClN5O/c1-29-20-8-6-16(12-19(20)23)14-25-21-18-11-15(13-24)5-7-17(18)22(27-26-21)28-9-3-2-4-10-28/h2-3,5-8,11-12H,4,9-10,14H2,1H3,(H,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 1.90n/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)


BindingDB Entry DOI: 10.7270/Q2T72J4N
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50089836
PNG
(4-(3-Chloro-4-methoxy-benzylamino)-1-(4-hydroxy-pi...)
Show SMILES COc1ccc(CNc2nnc(N3CCC(O)CC3)c3ccc(cc23)C(N)=O)cc1Cl
Show InChI InChI=1S/C22H24ClN5O3/c1-31-19-5-2-13(10-18(19)23)12-25-21-17-11-14(20(24)30)3-4-16(17)22(27-26-21)28-8-6-15(29)7-9-28/h2-5,10-11,15,29H,6-9,12H2,1H3,(H2,24,30)(H,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 2n/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)


BindingDB Entry DOI: 10.7270/Q2T72J4N
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM14390
PNG
(5-[2-ethoxy-5-(4-methyl-1-piperazinylsulfonyl)phen...)
Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
MMDB
PDB
PubMed
n/an/a 2.20n/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)


BindingDB Entry DOI: 10.7270/Q2T72J4N
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50089817
PNG
(4-(3-Chloro-4-methoxy-benzylamino)-1-(3-hydroxy-pr...)
Show SMILES COc1ccc(CNc2nnc(NCCCO)c3ccc(cc23)C#N)cc1Cl
Show InChI InChI=1S/C20H20ClN5O2/c1-28-18-6-4-14(10-17(18)21)12-24-20-16-9-13(11-22)3-5-15(16)19(25-26-20)23-7-2-8-27/h3-6,9-10,27H,2,7-8,12H2,1H3,(H,23,25)(H,24,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 2.60n/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)


BindingDB Entry DOI: 10.7270/Q2T72J4N
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50089823
PNG
(4-(3-Chloro-4-methoxy-benzylamino)-1-[(pyridin-2-y...)
Show SMILES COc1ccc(CNc2nnc(NCc3ccccn3)c3ccc(cc23)C#N)cc1Cl
Show InChI InChI=1S/C23H19ClN6O/c1-31-21-8-6-16(11-20(21)24)13-27-23-19-10-15(12-25)5-7-18(19)22(29-30-23)28-14-17-4-2-3-9-26-17/h2-11H,13-14H2,1H3,(H,27,30)(H,28,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 2.70n/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)


BindingDB Entry DOI: 10.7270/Q2T72J4N
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50066450
PNG
(1-Chloro-4-(3-chloro-4-methoxy-benzylamino)-phthal...)
Show SMILES COc1ccc(CNc2nnc(Cl)c3ccc(cc23)C#N)cc1Cl
Show InChI InChI=1S/C17H12Cl2N4O/c1-24-15-5-3-11(7-14(15)18)9-21-17-13-6-10(8-20)2-4-12(13)16(19)22-23-17/h2-7H,9H2,1H3,(H,21,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
PubMed
n/an/a 3n/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)


BindingDB Entry DOI: 10.7270/Q2T72J4N
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50089839
PNG
(1-[4-(3-Chloro-4-methoxy-benzylamino)-6-cyano-phth...)
Show SMILES COc1ccc(CNc2nnc(N3CCC(CC3)C(O)=O)c3ccc(cc23)C#N)cc1Cl
Show InChI InChI=1S/C23H22ClN5O3/c1-32-20-5-3-15(11-19(20)24)13-26-21-18-10-14(12-25)2-4-17(18)22(28-27-21)29-8-6-16(7-9-29)23(30)31/h2-5,10-11,16H,6-9,13H2,1H3,(H,26,27)(H,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 3.10n/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)


BindingDB Entry DOI: 10.7270/Q2T72J4N
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50066451
PNG
((3-Chloro-4-methoxy-benzyl)-(4-chloro-7-nitro-phth...)
Show SMILES COc1ccc(CNc2nnc(Cl)c3ccc(cc23)[N+]([O-])=O)cc1Cl
Show InChI InChI=1S/C16H12Cl2N4O3/c1-25-14-5-2-9(6-13(14)17)8-19-16-12-7-10(22(23)24)3-4-11(12)15(18)20-21-16/h2-7H,8H2,1H3,(H,19,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
Article
PubMed
n/an/a 3.5n/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


(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
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
PubMed
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)


BindingDB Entry DOI: 10.7270/Q2T72J4N
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50089808
PNG
(1-[6-Chloro-4-(3-chloro-4-methoxy-benzylamino)-pht...)
Show SMILES COc1ccc(CNc2nnc(N3CCC(O)CC3)c3ccc(Cl)cc23)cc1Cl
Show InChI InChI=1S/C21H22Cl2N4O2/c1-29-19-5-2-13(10-18(19)23)12-24-20-17-11-14(22)3-4-16(17)21(26-25-20)27-8-6-15(28)7-9-27/h2-5,10-11,15,28H,6-9,12H2,1H3,(H,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 4.40n/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)


BindingDB Entry DOI: 10.7270/Q2T72J4N
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50066450
PNG
(1-Chloro-4-(3-chloro-4-methoxy-benzylamino)-phthal...)
Show SMILES COc1ccc(CNc2nnc(Cl)c3ccc(cc23)C#N)cc1Cl
Show InChI InChI=1S/C17H12Cl2N4O/c1-24-15-5-3-11(7-14(15)18)9-21-17-13-6-10(8-20)2-4-12(13)16(19)22-23-17/h2-7H,9H2,1H3,(H,21,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
Article
PubMed
n/an/a 4.80n/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


(Homo sapiens (Human))		BDBM50066448
PNG
((3-Chloro-4-methoxy-benzyl)-(4-chloro-7-trifluorom...)
Show SMILES COc1ccc(CNc2nnc(Cl)c3ccc(cc23)C(F)(F)F)cc1Cl
Show InChI InChI=1S/C17H12Cl2F3N3O/c1-26-14-5-2-9(6-13(14)18)8-23-16-12-7-10(17(20,21)22)3-4-11(12)15(19)24-25-16/h2-7H,8H2,1H3,(H,23,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 5.30n/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


(Homo sapiens (Human))		BDBM50089834
PNG
(4-(3-Chloro-4-methoxy-benzylamino)-1-[(pyridin-4-y...)
Show SMILES COc1ccc(CNc2nnc(NCc3ccncc3)c3ccc(cc23)C#N)cc1Cl
Show InChI InChI=1S/C23H19ClN6O/c1-31-21-5-3-17(11-20(21)24)14-28-23-19-10-16(12-25)2-4-18(19)22(29-30-23)27-13-15-6-8-26-9-7-15/h2-11H,13-14H2,1H3,(H,27,29)(H,28,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 6.70n/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)


BindingDB Entry DOI: 10.7270/Q2T72J4N
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50089822
PNG
(4-(3-Chloro-4-methoxy-benzylamino)-1-[(pyridin-3-y...)
Show SMILES COc1ccc(CNc2nnc(NCc3cccnc3)c3ccc(cc23)C#N)cc1Cl
Show InChI InChI=1S/C23H19ClN6O/c1-31-21-7-5-16(10-20(21)24)13-27-23-19-9-15(11-25)4-6-18(19)22(29-30-23)28-14-17-3-2-8-26-12-17/h2-10,12H,13-14H2,1H3,(H,27,30)(H,28,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 6.80n/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)


BindingDB Entry DOI: 10.7270/Q2T72J4N
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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
Article
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


(Homo sapiens (Human))		BDBM50089811
PNG
(4-(3-Chloro-4-methoxy-benzylamino)-1-(4-pyridin-2-...)
Show SMILES COc1ccc(CNc2nnc(N3CCN(CC3)c3ccccn3)c3ccc(cc23)C#N)cc1Cl
Show InChI InChI=1S/C26H24ClN7O/c1-35-23-8-6-19(15-22(23)27)17-30-25-21-14-18(16-28)5-7-20(21)26(32-31-25)34-12-10-33(11-13-34)24-4-2-3-9-29-24/h2-9,14-15H,10-13,17H2,1H3,(H,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 11n/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)


BindingDB Entry DOI: 10.7270/Q2T72J4N
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50089810
PNG
(4-(3-Chloro-4-methoxy-benzylamino)-1-(4-hydroxy-cy...)
Show SMILES Cl.COc1ccc(CNc2nnc(N[C@H]3CC[C@H](O)CC3)c3ccc(cc23)C#N)cc1Cl |r,wU:14.12,wD:17.16,(7.9,-2.3,;-1.55,-10.62,;-2.62,-10.02,;-2.63,-8.48,;-1.3,-7.7,;-1.31,-6.16,;-2.65,-5.4,;-2.66,-3.85,;-1.33,-3.08,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;-1.33,3.08,;-2.66,3.85,;-3.99,3.09,;-5.32,3.86,;-5.32,5.4,;-6.39,6.02,;-3.98,6.17,;-2.65,5.39,;,.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;,-.77,;4,-1.54,;5.06,-2.16,;-3.98,-6.17,;-3.97,-7.71,;-5.03,-8.34,)|
Show InChI InChI=1S/C23H24ClN5O2.ClH/c1-31-21-9-3-15(11-20(21)24)13-26-22-19-10-14(12-25)2-8-18(19)23(29-28-22)27-16-4-6-17(30)7-5-16;/h2-3,8-11,16-17,30H,4-7,13H2,1H3,(H,26,28)(H,27,29);1H/t16-,17-;
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 12n/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)


BindingDB Entry DOI: 10.7270/Q2T72J4N
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50089819
PNG
(CHEMBL544540 | N-{1-[4-(3-Chloro-4-methoxy-benzyla...)
Show SMILES COc1ccc(CNc2nnc(N3CCC(CC3)NS(C)(=O)=O)c3ccc(cc23)C#N)cc1Cl
Show InChI InChI=1S/C23H25ClN6O3S/c1-33-21-6-4-16(12-20(21)24)14-26-22-19-11-15(13-25)3-5-18(19)23(28-27-22)30-9-7-17(8-10-30)29-34(2,31)32/h3-6,11-12,17,29H,7-10,14H2,1-2H3,(H,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 14n/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)


BindingDB Entry DOI: 10.7270/Q2T72J4N
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50089840
PNG
(4-(3-Chloro-4-methoxy-benzylamino)-1-(4-pyrimidin-...)
Show SMILES COc1ccc(CNc2nnc(N3CCN(CC3)c3ncccn3)c3ccc(cc23)C#N)cc1Cl
Show InChI InChI=1S/C25H23ClN8O/c1-35-22-6-4-18(14-21(22)26)16-30-23-20-13-17(15-27)3-5-19(20)24(32-31-23)33-9-11-34(12-10-33)25-28-7-2-8-29-25/h2-8,13-14H,9-12,16H2,1H3,(H,30,31)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 19n/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)


BindingDB Entry DOI: 10.7270/Q2T72J4N
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50066447
PNG
(1-Chloro-4-(3-chloro-4-ethoxy-benzylamino)-phthala...)
Show SMILES CCOc1ccc(CNc2nnc(Cl)c3ccc(cc23)C#N)cc1Cl
Show InChI InChI=1S/C18H14Cl2N4O/c1-2-25-16-6-4-12(8-15(16)19)10-22-18-14-7-11(9-21)3-5-13(14)17(20)23-24-18/h3-8H,2,10H2,1H3,(H,22,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
Article
PubMed
n/an/a 49n/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


(Homo sapiens (Human))		BDBM50066452
PNG
((3-Chloro-4-methoxy-benzyl)-(4,7-dichloro-phthalaz...)
Show SMILES COc1ccc(CNc2nnc(Cl)c3ccc(Cl)cc23)cc1Cl
Show InChI InChI=1S/C16H12Cl3N3O/c1-23-14-5-2-9(6-13(14)18)8-20-16-12-7-10(17)3-4-11(12)15(19)21-22-16/h2-7H,8H2,1H3,(H,20,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
Article
PubMed
n/an/a 54n/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


(Homo sapiens (Human))		BDBM50066449
PNG
(Benzo[1,3]dioxol-5-ylmethyl-(4-chloro-7-nitro-phth...)
Show SMILES [O-][N+](=O)c1ccc2c(Cl)nnc(NCc3ccc4OCOc4c3)c2c1
Show InChI InChI=1S/C16H11ClN4O4/c17-15-11-3-2-10(21(22)23)6-12(11)16(20-19-15)18-7-9-1-4-13-14(5-9)25-8-24-13/h1-6H,7-8H2,(H,18,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
Article
PubMed
n/an/a 63n/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


(Homo sapiens (Human))		BDBM50066457
PNG
(1-Chloro-4-[1-(3-chloro-4-methoxy-phenyl)-ethylami...)
Show SMILES COc1ccc(cc1Cl)C(C)Nc1nnc(Cl)c2ccc(cc12)C#N
Show InChI InChI=1S/C18H14Cl2N4O/c1-10(12-4-6-16(25-2)15(19)8-12)22-18-14-7-11(9-21)3-5-13(14)17(20)23-24-18/h3-8,10H,1-2H3,(H,22,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
Article
PubMed
n/an/a 98n/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


(Homo sapiens (Human))		BDBM50066446
PNG
(4-[(Benzo[1,3]dioxol-5-ylmethyl)-amino]-1-chloro-p...)
Show SMILES Clc1nnc(NCc2ccc3OCOc3c2)c2cc(ccc12)C#N
Show InChI InChI=1S/C17H11ClN4O2/c18-16-12-3-1-10(7-19)5-13(12)17(22-21-16)20-8-11-2-4-14-15(6-11)24-9-23-14/h1-6H,8-9H2,(H,20,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
Article
PubMed
n/an/a 100n/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


(Homo sapiens (Human))		BDBM50066456
PNG
(1-Chloro-4-(4-methoxy-benzylamino)-phthalazine-6-c...)
Show SMILES COc1ccc(CNc2nnc(Cl)c3ccc(cc23)C#N)cc1
Show InChI InChI=1S/C17H13ClN4O/c1-23-13-5-2-11(3-6-13)10-20-17-15-8-12(9-19)4-7-14(15)16(18)21-22-17/h2-8H,10H2,1H3,(H,20,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
Article
PubMed
n/an/a 140n/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


(Homo sapiens (Human))		BDBM50066445
PNG
(4-Chloro-1-(3-chloro-4-methoxy-benzylamino)-phthal...)
Show SMILES COc1ccc(CNc2nnc(Cl)c3cc(ccc23)C#N)cc1Cl
Show InChI InChI=1S/C17H12Cl2N4O/c1-24-15-5-3-11(7-14(15)18)9-21-17-12-4-2-10(8-20)6-13(12)16(19)22-23-17/h2-7H,9H2,1H3,(H,21,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
Article
PubMed
n/an/a 140n/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


(Homo sapiens (Human))		BDBM50089829
PNG
(1,4-Bis-(3-chloro-4-methoxy-benzylamino)-phthalazi...)
Show SMILES COc1ccc(CNc2nnc(NCc3ccc(OC)c(Cl)c3)c3cc(ccc23)C#N)cc1Cl
Show InChI InChI=1S/C25H21Cl2N5O2/c1-33-22-7-4-16(10-20(22)26)13-29-24-18-6-3-15(12-28)9-19(18)25(32-31-24)30-14-17-5-8-23(34-2)21(27)11-17/h3-11H,13-14H2,1-2H3,(H,29,31)(H,30,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 150n/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)


BindingDB Entry DOI: 10.7270/Q2T72J4N
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM23620
PNG
(2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(piperidin...)
Show SMILES OCCN(CCO)c1nc(N2CCCCC2)c2nc(nc(N3CCCCC3)c2n1)N(CCO)CCO
Show InChI InChI=1S/C24H40N8O4/c33-15-11-31(12-16-34)23-26-20-19(21(27-23)29-7-3-1-4-8-29)25-24(32(13-17-35)14-18-36)28-22(20)30-9-5-2-6-10-30/h33-36H,1-18H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem

Patents

Similars
DrugBank
PubMed
n/an/a 574n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 5 (PDE5) from porcine platelets, range 0.244-1.35

J Med Chem 43: 2523-9 (2000)


BindingDB Entry DOI: 10.7270/Q2T72J4N
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50089835
PNG
(4-(3-Chloro-4-methoxy-benzylamino)-1-(4-hydroxy-pi...)
Show SMILES COc1ccc(CNc2nnc(N3CCC(O)CC3)c3ccc(cc23)C(O)=O)cc1Cl
Show InChI InChI=1S/C22H23ClN4O4/c1-31-19-5-2-13(10-18(19)23)12-24-20-17-11-14(22(29)30)3-4-16(17)21(26-25-20)27-8-6-15(28)7-9-27/h2-5,10-11,15,28H,6-9,12H2,1H3,(H,24,25)(H,29,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
PubMed
n/an/a 600n/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)


BindingDB Entry DOI: 10.7270/Q2T72J4N
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50066455
PNG
((3-Chloro-4-methoxy-benzyl)-(4,6-dichloro-phthalaz...)
Show SMILES COc1ccc(CNc2nnc(Cl)c3cc(Cl)ccc23)cc1Cl
Show InChI InChI=1S/C16H12Cl3N3O/c1-23-14-5-2-9(6-13(14)18)8-20-16-11-4-3-10(17)7-12(11)15(19)21-22-16/h2-7H,8H2,1H3,(H,20,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Similars
Article
PubMed
n/an/a 810n/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
Phosphodiesterase


(Sus scrofa)		BDBM15296
PNG
(6-methyl-2-oxo-5-(pyridin-4-yl)-1,2-dihydropyridin...)
Show SMILES Cc1[nH]c(=O)c(cc1-c1ccncc1)C#N
Show InChI InChI=1S/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H3,(H,15,16)
PDB

KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Similars
PubMed
n/an/a 843n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 3 (PDE3) from porcine platelets, range 0.581-1.23

J Med Chem 43: 2523-9 (2000)


BindingDB Entry DOI: 10.7270/Q2T72J4N
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 81 total )  |  Next  |  Last  >>
Jump to: