Found 26 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
cGMP-specific 3',5'-cyclic phosphodiesterase
(Bos taurus) | BDBM50061899
(2',5'-Dimethyl-3'-(phenylmethyl)spiro[cyclopentane...)Show SMILES CN1C2=NC3(CCCC3)CN2c2nn(C)c(Cc3ccccc3)c2C1=O |t:2| Show InChI InChI=1S/C20H23N5O/c1-23-18(26)16-15(12-14-8-4-3-5-9-14)24(2)22-17(16)25-13-20(21-19(23)25)10-6-7-11-20/h3-5,8-9H,6-7,10-13H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 75 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of phosphodiesterase 5 from bovine lung |
J Med Chem 40: 4372-7 (1998)
Article DOI: 10.1021/jm970495b
BindingDB Entry DOI: 10.7270/Q2833R45 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Bos taurus) | BDBM50059037
((6aR,9aS)-2-(Phenylmethyl)-5,6a,7,8,9,9a-hexahydro...)Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(Cc3ccccc3)[nH]c2C1=O |t:2| Show InChI InChI=1S/C18H19N5O/c1-22-17(24)15-16(23-13-9-5-8-12(13)19-18(22)23)21-14(20-15)10-11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10H2,1H3,(H,20,21)/t12-,13+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of phosphodiesterase 5 from bovine lung |
J Med Chem 40: 4372-7 (1998)
Article DOI: 10.1021/jm970495b
BindingDB Entry DOI: 10.7270/Q2833R45 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Bos taurus) | BDBM50061902
((R)-3-Benzyl-7-isopropyl-2,5-dimethyl-7,8-dihydro-...)Show SMILES CC(C)[C@@H]1CN2C(=N1)N(C)C(=O)c1c2nn(C)c1Cc1ccccc1 |c:6| Show InChI InChI=1S/C19H23N5O/c1-12(2)14-11-24-17-16(18(25)22(3)19(24)20-14)15(23(4)21-17)10-13-8-6-5-7-9-13/h5-9,12,14H,10-11H2,1-4H3/t14-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of phosphodiesterase 5 from bovine lung |
J Med Chem 40: 4372-7 (1998)
Article DOI: 10.1021/jm970495b
BindingDB Entry DOI: 10.7270/Q2833R45 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Bos taurus) | BDBM50061901
((+)(6aR,9aS)-5,6a,7,8,9,9a-Hexahydro-2,5-dimethyl-...)Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nn(C)c(Cc3ccccc3)c2C1=O |t:2| Show InChI InChI=1S/C19H21N5O/c1-22-18(25)16-15(11-12-7-4-3-5-8-12)23(2)21-17(16)24-14-10-6-9-13(14)20-19(22)24/h3-5,7-8,13-14H,6,9-11H2,1-2H3/t13-,14+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of phosphodiesterase 5 from bovine lung |
J Med Chem 40: 4372-7 (1998)
Article DOI: 10.1021/jm970495b
BindingDB Entry DOI: 10.7270/Q2833R45 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Bos taurus) | BDBM50061901
((+)(6aR,9aS)-5,6a,7,8,9,9a-Hexahydro-2,5-dimethyl-...)Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nn(C)c(Cc3ccccc3)c2C1=O |t:2| Show InChI InChI=1S/C19H21N5O/c1-22-18(25)16-15(11-12-7-4-3-5-8-12)23(2)21-17(16)24-14-10-6-9-13(14)20-19(22)24/h3-5,7-8,13-14H,6,9-11H2,1-2H3/t13-,14+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of phosphodiesterase 5 from bovine lung |
J Med Chem 40: 4372-7 (1998)
Article DOI: 10.1021/jm970495b
BindingDB Entry DOI: 10.7270/Q2833R45 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Bos taurus) | BDBM50061903
(3-Benzyl-2,5,7,7-tetramethyl-7,8-dihydro-2H,5H-1,2...)Show SMILES CN1C2=NC(C)(C)CN2c2nn(C)c(Cc3ccccc3)c2C1=O |t:2| Show InChI InChI=1S/C18H21N5O/c1-18(2)11-23-15-14(16(24)21(3)17(23)19-18)13(22(4)20-15)10-12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of phosphodiesterase 5 from bovine lung |
J Med Chem 40: 4372-7 (1998)
Article DOI: 10.1021/jm970495b
BindingDB Entry DOI: 10.7270/Q2833R45 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Bos taurus) | BDBM50061905
(CHEMBL344852 | Rac-(6aR*,9aS*)-5,6a,7,8,9,9a-Hexah...)Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2[nH]nc(Cc3ccccc3)c2C1=O |t:2| Show InChI InChI=1S/C18H19N5O/c1-22-17(24)15-13(10-11-6-3-2-4-7-11)20-21-16(15)23-14-9-5-8-12(14)19-18(22)23/h2-4,6-7,12,14H,5,8-10H2,1H3,(H,20,21)/t12-,14+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of phosphodiesterase 5 from bovine lung |
J Med Chem 40: 4372-7 (1998)
Article DOI: 10.1021/jm970495b
BindingDB Entry DOI: 10.7270/Q2833R45 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Bos taurus) | BDBM50059066
((6aR,9aS)-5,6a,7,8,9,9a-Hexahydro-2,5-dimethyl-3-(...)Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(C)n(Cc3ccccc3)c2C1=O |t:2| Show InChI InChI=1S/C19H21N5O/c1-12-20-17-16(23(12)11-13-7-4-3-5-8-13)18(25)22(2)19-21-14-9-6-10-15(14)24(17)19/h3-5,7-8,14-15H,6,9-11H2,1-2H3/t14-,15+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 225 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of phosphodiesterase 5 from bovine lung |
J Med Chem 40: 4372-7 (1998)
Article DOI: 10.1021/jm970495b
BindingDB Entry DOI: 10.7270/Q2833R45 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Bos taurus) | BDBM50061904
(CHEMBL343781 | Rac-(6aR*,9aS*)-5,6a,7,8,9,9a-Hexah...)Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2c(c(Cc3ccccc3)nn2C)C1=O |t:2| Show InChI InChI=1S/C19H21N5O/c1-22-18(25)16-14(11-12-7-4-3-5-8-12)21-23(2)17(16)24-15-10-6-9-13(15)20-19(22)24/h3-5,7-8,13,15H,6,9-11H2,1-2H3/t13-,15+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of phosphodiesterase 5 from bovine lung |
J Med Chem 40: 4372-7 (1998)
Article DOI: 10.1021/jm970495b
BindingDB Entry DOI: 10.7270/Q2833R45 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Bos taurus) | BDBM50061897
((6aR,9aS)-3,5-Dimethyl-5,6a,7,8,9,9a-hexahydro-1-(...)Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2c(c(C)nn2Cc2ccccc2)C1=O |t:2| Show InChI InChI=1S/C19H21N5O/c1-12-16-17(23(21-12)11-13-7-4-3-5-8-13)24-15-10-6-9-14(15)20-19(24)22(2)18(16)25/h3-5,7-8,14-15H,6,9-11H2,1-2H3/t14-,15+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of phosphodiesterase 5 from bovine lung |
J Med Chem 40: 4372-7 (1998)
Article DOI: 10.1021/jm970495b
BindingDB Entry DOI: 10.7270/Q2833R45 |
More data for this
Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Bos taurus) | BDBM50059037
((6aR,9aS)-2-(Phenylmethyl)-5,6a,7,8,9,9a-hexahydro...)Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(Cc3ccccc3)[nH]c2C1=O |t:2| Show InChI InChI=1S/C18H19N5O/c1-22-17(24)15-16(23-13-9-5-8-12(13)19-18(22)23)21-14(20-15)10-11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10H2,1H3,(H,20,21)/t12-,13+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 2 from bovine aorta |
J Med Chem 40: 4372-7 (1998)
Article DOI: 10.1021/jm970495b
BindingDB Entry DOI: 10.7270/Q2833R45 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Bos taurus) | BDBM50061900
((6aR,9aS)-5,6a,7,8,9,9a-Hexahydro-5-methyl-3-pheny...)Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nn(Cc3ccccc3)c(c2C1=O)-c1ccccc1 |t:2| Show InChI InChI=1S/C24H23N5O/c1-27-23(30)20-21(17-11-6-3-7-12-17)28(15-16-9-4-2-5-10-16)26-22(20)29-19-14-8-13-18(19)25-24(27)29/h2-7,9-12,18-19H,8,13-15H2,1H3/t18-,19+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of phosphodiesterase 5 from bovine lung |
J Med Chem 40: 4372-7 (1998)
Article DOI: 10.1021/jm970495b
BindingDB Entry DOI: 10.7270/Q2833R45 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Bos taurus) | BDBM50061898
((6aR,9aS)-3,5-Dimethyl-5,6a,7,8,9,9a-hexahydrocycl...)Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2[nH]nc(C)c2C1=O |t:2| Show InChI InChI=1S/C12H15N5O/c1-6-9-10(15-14-6)17-8-5-3-4-7(8)13-12(17)16(2)11(9)18/h7-8H,3-5H2,1-2H3,(H,14,15)/t7-,8+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of phosphodiesterase 5 from bovine lung |
J Med Chem 40: 4372-7 (1998)
Article DOI: 10.1021/jm970495b
BindingDB Entry DOI: 10.7270/Q2833R45 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Bos taurus) | BDBM50061896
(CHEMBL343971 | Rac-(6aR*,9aS*)-5,6a,7,8,9,9a-Hexah...)Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2c(cnn2Cc2ccccc2)C1=O |t:2| Show InChI InChI=1S/C18H19N5O/c1-21-17(24)13-10-19-22(11-12-6-3-2-4-7-12)16(13)23-15-9-5-8-14(15)20-18(21)23/h2-4,6-7,10,14-15H,5,8-9,11H2,1H3/t14-,15+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of phosphodiesterase 5 from bovine lung |
J Med Chem 40: 4372-7 (1998)
Article DOI: 10.1021/jm970495b
BindingDB Entry DOI: 10.7270/Q2833R45 |
More data for this
Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Bos taurus) | BDBM50061899
(2',5'-Dimethyl-3'-(phenylmethyl)spiro[cyclopentane...)Show SMILES CN1C2=NC3(CCCC3)CN2c2nn(C)c(Cc3ccccc3)c2C1=O |t:2| Show InChI InChI=1S/C20H23N5O/c1-23-18(26)16-15(12-14-8-4-3-5-9-14)24(2)22-17(16)25-13-20(21-19(23)25)10-6-7-11-20/h3-5,8-9H,6-7,10-13H2,1-2H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 2 from bovine adrenal cortex |
J Med Chem 40: 4372-7 (1998)
Article DOI: 10.1021/jm970495b
BindingDB Entry DOI: 10.7270/Q2833R45 |
More data for this
Ligand-Target Pair | |
Phosphodiesterase
(Bos taurus) | BDBM50061904
(CHEMBL343781 | Rac-(6aR*,9aS*)-5,6a,7,8,9,9a-Hexah...)Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2c(c(Cc3ccccc3)nn2C)C1=O |t:2| Show InChI InChI=1S/C19H21N5O/c1-22-18(25)16-14(11-12-7-4-3-5-8-12)21-23(2)17(16)24-15-10-6-9-13(15)20-19(22)24/h3-5,7-8,13,15H,6,9-11H2,1-2H3/t13-,15+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 3 from bovine heart |
J Med Chem 40: 4372-7 (1998)
Article DOI: 10.1021/jm970495b
BindingDB Entry DOI: 10.7270/Q2833R45 |
More data for this
Ligand-Target Pair | |
Phosphodiesterase
(Bos taurus) | BDBM50061903
(3-Benzyl-2,5,7,7-tetramethyl-7,8-dihydro-2H,5H-1,2...)Show SMILES CN1C2=NC(C)(C)CN2c2nn(C)c(Cc3ccccc3)c2C1=O |t:2| Show InChI InChI=1S/C18H21N5O/c1-18(2)11-23-15-14(16(24)21(3)17(23)19-18)13(22(4)20-15)10-12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3 | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 3 from bovine heart |
J Med Chem 40: 4372-7 (1998)
Article DOI: 10.1021/jm970495b
BindingDB Entry DOI: 10.7270/Q2833R45 |
More data for this
Ligand-Target Pair | |
Phosphodiesterase
(Bos taurus) | BDBM50061897
((6aR,9aS)-3,5-Dimethyl-5,6a,7,8,9,9a-hexahydro-1-(...)Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2c(c(C)nn2Cc2ccccc2)C1=O |t:2| Show InChI InChI=1S/C19H21N5O/c1-12-16-17(23(21-12)11-13-7-4-3-5-8-13)24-15-10-6-9-14(15)20-19(24)22(2)18(16)25/h3-5,7-8,14-15H,6,9-11H2,1-2H3/t14-,15+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 3 from bovine heart |
J Med Chem 40: 4372-7 (1998)
Article DOI: 10.1021/jm970495b
BindingDB Entry DOI: 10.7270/Q2833R45 |
More data for this
Ligand-Target Pair | |
Phosphodiesterase
(Bos taurus) | BDBM50061896
(CHEMBL343971 | Rac-(6aR*,9aS*)-5,6a,7,8,9,9a-Hexah...)Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2c(cnn2Cc2ccccc2)C1=O |t:2| Show InChI InChI=1S/C18H19N5O/c1-21-17(24)13-10-19-22(11-12-6-3-2-4-7-12)16(13)23-15-9-5-8-14(15)20-18(21)23/h2-4,6-7,10,14-15H,5,8-9,11H2,1H3/t14-,15+/m1/s1 | PDB
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PubMed
| n/a | n/a | 5.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 3 from bovine heart |
J Med Chem 40: 4372-7 (1998)
Article DOI: 10.1021/jm970495b
BindingDB Entry DOI: 10.7270/Q2833R45 |
More data for this
Ligand-Target Pair | |
Phosphodiesterase
(Bos taurus) | BDBM50061899
(2',5'-Dimethyl-3'-(phenylmethyl)spiro[cyclopentane...)Show SMILES CN1C2=NC3(CCCC3)CN2c2nn(C)c(Cc3ccccc3)c2C1=O |t:2| Show InChI InChI=1S/C20H23N5O/c1-23-18(26)16-15(12-14-8-4-3-5-9-14)24(2)22-17(16)25-13-20(21-19(23)25)10-6-7-11-20/h3-5,8-9H,6-7,10-13H2,1-2H3 | PDB
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| n/a | n/a | 5.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 3 from bovine heart |
J Med Chem 40: 4372-7 (1998)
Article DOI: 10.1021/jm970495b
BindingDB Entry DOI: 10.7270/Q2833R45 |
More data for this
Ligand-Target Pair | |
Phosphodiesterase
(Bos taurus) | BDBM50061900
((6aR,9aS)-5,6a,7,8,9,9a-Hexahydro-5-methyl-3-pheny...)Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nn(Cc3ccccc3)c(c2C1=O)-c1ccccc1 |t:2| Show InChI InChI=1S/C24H23N5O/c1-27-23(30)20-21(17-11-6-3-7-12-17)28(15-16-9-4-2-5-10-16)26-22(20)29-19-14-8-13-18(19)25-24(27)29/h2-7,9-12,18-19H,8,13-15H2,1H3/t18-,19+/m1/s1 | PDB
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PubMed
| n/a | n/a | 5.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 3 from bovine heart |
J Med Chem 40: 4372-7 (1998)
Article DOI: 10.1021/jm970495b
BindingDB Entry DOI: 10.7270/Q2833R45 |
More data for this
Ligand-Target Pair | |
Phosphodiesterase
(Bos taurus) | BDBM50059037
((6aR,9aS)-2-(Phenylmethyl)-5,6a,7,8,9,9a-hexahydro...)Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(Cc3ccccc3)[nH]c2C1=O |t:2| Show InChI InChI=1S/C18H19N5O/c1-22-17(24)15-16(23-13-9-5-8-12(13)19-18(22)23)21-14(20-15)10-11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10H2,1H3,(H,20,21)/t12-,13+/m1/s1 | PDB
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PubMed
| n/a | n/a | 8.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 3 from bovine heart |
J Med Chem 40: 4372-7 (1998)
Article DOI: 10.1021/jm970495b
BindingDB Entry DOI: 10.7270/Q2833R45 |
More data for this
Ligand-Target Pair | |
Phosphodiesterase
(Bos taurus) | BDBM50061901
((+)(6aR,9aS)-5,6a,7,8,9,9a-Hexahydro-2,5-dimethyl-...)Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nn(C)c(Cc3ccccc3)c2C1=O |t:2| Show InChI InChI=1S/C19H21N5O/c1-22-18(25)16-15(11-12-7-4-3-5-8-12)23(2)21-17(16)24-14-10-6-9-13(14)20-19(22)24/h3-5,7-8,13-14H,6,9-11H2,1-2H3/t13-,14+/m1/s1 | PDB
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PubMed
| n/a | n/a | 8.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 3 from bovine heart |
J Med Chem 40: 4372-7 (1998)
Article DOI: 10.1021/jm970495b
BindingDB Entry DOI: 10.7270/Q2833R45 |
More data for this
Ligand-Target Pair | |
Phosphodiesterase
(Bos taurus) | BDBM50061902
((R)-3-Benzyl-7-isopropyl-2,5-dimethyl-7,8-dihydro-...)Show SMILES CC(C)[C@@H]1CN2C(=N1)N(C)C(=O)c1c2nn(C)c1Cc1ccccc1 |c:6| Show InChI InChI=1S/C19H23N5O/c1-12(2)14-11-24-17-16(18(25)22(3)19(24)20-14)15(23(4)21-17)10-13-8-6-5-7-9-13/h5-9,12,14H,10-11H2,1-4H3/t14-/m0/s1 | PDB
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PubMed
| n/a | n/a | 9.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 3 from bovine heart |
J Med Chem 40: 4372-7 (1998)
Article DOI: 10.1021/jm970495b
BindingDB Entry DOI: 10.7270/Q2833R45 |
More data for this
Ligand-Target Pair | |
Phosphodiesterase
(Bos taurus) | BDBM50061905
(CHEMBL344852 | Rac-(6aR*,9aS*)-5,6a,7,8,9,9a-Hexah...)Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2[nH]nc(Cc3ccccc3)c2C1=O |t:2| Show InChI InChI=1S/C18H19N5O/c1-22-17(24)15-13(10-11-6-3-2-4-7-11)20-21-16(15)23-14-9-5-8-12(14)19-18(22)23/h2-4,6-7,12,14H,5,8-10H2,1H3,(H,20,21)/t12-,14+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 3 from bovine heart |
J Med Chem 40: 4372-7 (1998)
Article DOI: 10.1021/jm970495b
BindingDB Entry DOI: 10.7270/Q2833R45 |
More data for this
Ligand-Target Pair | |
Phosphodiesterase
(Bos taurus) | BDBM50061898
((6aR,9aS)-3,5-Dimethyl-5,6a,7,8,9,9a-hexahydrocycl...)Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2[nH]nc(C)c2C1=O |t:2| Show InChI InChI=1S/C12H15N5O/c1-6-9-10(15-14-6)17-8-5-3-4-7(8)13-12(17)16(2)11(9)18/h7-8H,3-5H2,1-2H3,(H,14,15)/t7-,8+/m1/s1 | PDB
MMDB
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UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 3 from bovine heart |
J Med Chem 40: 4372-7 (1998)
Article DOI: 10.1021/jm970495b
BindingDB Entry DOI: 10.7270/Q2833R45 |
More data for this
Ligand-Target Pair | |
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