Found 327 hits with Last Name = 'dodic' and Initial = 'n' 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
(Homo sapiens (Human)) | BDBM50050597
(1-Ethyl-3-methyl-6-(5-nitro-2-propoxy-phenyl)-1,5-...)Show SMILES CCCOc1ccc(cc1-c1nc2n(CC)nc(C)c2c(=O)[nH]1)[N+]([O-])=O Show InChI InChI=1S/C17H19N5O4/c1-4-8-26-13-7-6-11(22(24)25)9-12(13)15-18-16-14(17(23)19-15)10(3)20-21(16)5-2/h6-7,9H,4-5,8H2,1-3H3,(H,18,19,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratories Glaxo Wellcome Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 5 from human |
J Med Chem 39: 1635-44 (1996)
Article DOI: 10.1021/jm950812j
BindingDB Entry DOI: 10.7270/Q2057F1T |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50050584
(1-[3-(1,3-Dimethyl-4-oxo-4,5-dihydro-1H-pyrazolo[3...)Show SMILES CCCOc1ccc(NC(=O)Nc2ccc(F)cc2)cc1-c1nc2n(C)nc(C)c2c(=O)[nH]1 Show InChI InChI=1S/C23H23FN6O3/c1-4-11-33-18-10-9-16(26-23(32)25-15-7-5-14(24)6-8-15)12-17(18)20-27-21-19(22(31)28-20)13(2)29-30(21)3/h5-10,12H,4,11H2,1-3H3,(H2,25,26,32)(H,27,28,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratories Glaxo Wellcome Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 5 from human |
J Med Chem 39: 1635-44 (1996)
Article DOI: 10.1021/jm950812j
BindingDB Entry DOI: 10.7270/Q2057F1T |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50050582
(CHEMBL43443 | N-[3-(1,3-Dimethyl-4-oxo-4,5-dihydro...)Show SMILES CCCOc1ccc(NC(C)=O)cc1-c1nc2n(C)nc(C)c2c(=O)[nH]1 Show InChI InChI=1S/C18H21N5O3/c1-5-8-26-14-7-6-12(19-11(3)24)9-13(14)16-20-17-15(18(25)21-16)10(2)22-23(17)4/h6-7,9H,5,8H2,1-4H3,(H,19,24)(H,20,21,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratories Glaxo Wellcome Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 5 from human |
J Med Chem 39: 1635-44 (1996)
Article DOI: 10.1021/jm950812j
BindingDB Entry DOI: 10.7270/Q2057F1T |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50050605
(CHEMBL297864 | [3-(1,3-Dimethyl-4-oxo-4,5-dihydro-...)Show SMILES CCCOc1ccc(NC(N)=S)cc1-c1nc2n(C)nc(C)c2c(=O)[nH]1 Show InChI InChI=1S/C17H20N6O2S/c1-4-7-25-12-6-5-10(19-17(18)26)8-11(12)14-20-15-13(16(24)21-14)9(2)22-23(15)3/h5-6,8H,4,7H2,1-3H3,(H3,18,19,26)(H,20,21,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratories Glaxo Wellcome Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 5 from human |
J Med Chem 39: 1635-44 (1996)
Article DOI: 10.1021/jm950812j
BindingDB Entry DOI: 10.7270/Q2057F1T |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50050619
(3-Methyl-6-(2-propoxy-phenyl)-1-propyl-1,5-dihydro...)Show InChI InChI=1S/C18H22N4O2/c1-4-10-22-17-15(12(3)21-22)18(23)20-16(19-17)13-8-6-7-9-14(13)24-11-5-2/h6-9H,4-5,10-11H2,1-3H3,(H,19,20,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratories Glaxo Wellcome Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 5 from human |
J Med Chem 39: 1635-44 (1996)
Article DOI: 10.1021/jm950812j
BindingDB Entry DOI: 10.7270/Q2057F1T |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50050627
(CHEMBL298478 | Thiophene-2-carboxylic acid [3-(1,3...)Show SMILES CCCOc1ccc(NC(=O)c2cccs2)cc1-c1nc2n(C)nc(C)c2c(=O)[nH]1 Show InChI InChI=1S/C21H21N5O3S/c1-4-9-29-15-8-7-13(22-20(27)16-6-5-10-30-16)11-14(15)18-23-19-17(21(28)24-18)12(2)25-26(19)3/h5-8,10-11H,4,9H2,1-3H3,(H,22,27)(H,23,24,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratories Glaxo Wellcome Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 5 from human |
J Med Chem 39: 1635-44 (1996)
Article DOI: 10.1021/jm950812j
BindingDB Entry DOI: 10.7270/Q2057F1T |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50050626
(1-Ethyl-3-methyl-6-[5-(5-phenyl-1H-[1,2,4]triazol-...)Show SMILES CCCOc1ccc(cc1-c1nc2n(CC)nc(C)c2c(=O)[nH]1)-c1nnc([nH]1)-c1ccccc1 Show InChI InChI=1S/C25H25N7O2/c1-4-13-34-19-12-11-17(22-26-21(29-30-22)16-9-7-6-8-10-16)14-18(19)23-27-24-20(25(33)28-23)15(3)31-32(24)5-2/h6-12,14H,4-5,13H2,1-3H3,(H,26,29,30)(H,27,28,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratories Glaxo Wellcome Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 5 from human |
J Med Chem 39: 1635-44 (1996)
Article DOI: 10.1021/jm950812j
BindingDB Entry DOI: 10.7270/Q2057F1T |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50050595
(1-Ethyl-3-methyl-6-[5-(4-methyl-thiazol-2-yl)-2-pr...)Show SMILES CCCOc1ccc(cc1-c1nc2n(CC)nc(C)c2c(=O)[nH]1)-c1nc(C)cs1 Show InChI InChI=1S/C21H23N5O2S/c1-5-9-28-16-8-7-14(21-22-12(3)11-29-21)10-15(16)18-23-19-17(20(27)24-18)13(4)25-26(19)6-2/h7-8,10-11H,5-6,9H2,1-4H3,(H,23,24,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratories Glaxo Wellcome Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 5 from human |
J Med Chem 39: 1635-44 (1996)
Article DOI: 10.1021/jm950812j
BindingDB Entry DOI: 10.7270/Q2057F1T |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50050622
(1-Ethyl-3-methyl-6-(2-propoxy-phenyl)-1,5-dihydro-...)Show InChI InChI=1S/C17H20N4O2/c1-4-10-23-13-9-7-6-8-12(13)15-18-16-14(17(22)19-15)11(3)20-21(16)5-2/h6-9H,4-5,10H2,1-3H3,(H,18,19,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratories Glaxo Wellcome Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 5 from human |
J Med Chem 39: 1635-44 (1996)
Article DOI: 10.1021/jm950812j
BindingDB Entry DOI: 10.7270/Q2057F1T |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50050620
(CHEMBL46771 | N-[3-(1,3-Dimethyl-4-oxo-4,5-dihydro...)Show SMILES CCCOc1ccc(NC(=O)c2ccc(F)cc2)cc1-c1nc2n(C)nc(C)c2c(=O)[nH]1 Show InChI InChI=1S/C23H22FN5O3/c1-4-11-32-18-10-9-16(25-22(30)14-5-7-15(24)8-6-14)12-17(18)20-26-21-19(23(31)27-20)13(2)28-29(21)3/h5-10,12H,4,11H2,1-3H3,(H,25,30)(H,26,27,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratories Glaxo Wellcome Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 5 from human |
J Med Chem 39: 1635-44 (1996)
Article DOI: 10.1021/jm950812j
BindingDB Entry DOI: 10.7270/Q2057F1T |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50050579
(CHEMBL42886 | [3-(1,3-Dimethyl-4-oxo-4,5-dihydro-1...)Show SMILES CCCOc1ccc(NC(N)=O)cc1-c1nc2n(C)nc(C)c2c(=O)[nH]1 Show InChI InChI=1S/C17H20N6O3/c1-4-7-26-12-6-5-10(19-17(18)25)8-11(12)14-20-15-13(16(24)21-14)9(2)22-23(15)3/h5-6,8H,4,7H2,1-3H3,(H3,18,19,25)(H,20,21,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratories Glaxo Wellcome Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 5 from human |
J Med Chem 39: 1635-44 (1996)
Article DOI: 10.1021/jm950812j
BindingDB Entry DOI: 10.7270/Q2057F1T |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50050580
(CHEMBL416267 | N-[3-(1-Ethyl-3-methyl-4-oxo-4,5-di...)Show SMILES CCCOc1ccc(NC(C)=O)cc1-c1nc2n(CC)nc(C)c2c(=O)[nH]1 Show InChI InChI=1S/C19H23N5O3/c1-5-9-27-15-8-7-13(20-12(4)25)10-14(15)17-21-18-16(19(26)22-17)11(3)23-24(18)6-2/h7-8,10H,5-6,9H2,1-4H3,(H,20,25)(H,21,22,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratories Glaxo Wellcome Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 5 from human |
J Med Chem 39: 1635-44 (1996)
Article DOI: 10.1021/jm950812j
BindingDB Entry DOI: 10.7270/Q2057F1T |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50050577
(1-Ethyl-3-methyl-6-[2-propoxy-5-(2-pyridin-3-yl-th...)Show SMILES CCCOc1ccc(cc1-c1nc2n(CC)nc(C)c2c(=O)[nH]1)-c1csc(n1)-c1cccnc1 Show InChI InChI=1S/C25H24N6O2S/c1-4-11-33-20-9-8-16(19-14-34-25(27-19)17-7-6-10-26-13-17)12-18(20)22-28-23-21(24(32)29-22)15(3)30-31(23)5-2/h6-10,12-14H,4-5,11H2,1-3H3,(H,28,29,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratories Glaxo Wellcome Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 5 from human |
J Med Chem 39: 1635-44 (1996)
Article DOI: 10.1021/jm950812j
BindingDB Entry DOI: 10.7270/Q2057F1T |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50050603
(1-[3-(1,3-Dimethyl-4-oxo-4,5-dihydr o-1H-pyrazolo[...)Show SMILES CCCOc1ccc(NC(=S)NC(=O)OCC)cc1-c1nc2n(C)nc(C)c2c(=O)[nH]1 Show InChI InChI=1S/C20H24N6O4S/c1-5-9-30-14-8-7-12(21-19(31)24-20(28)29-6-2)10-13(14)16-22-17-15(18(27)23-16)11(3)25-26(17)4/h7-8,10H,5-6,9H2,1-4H3,(H,22,23,27)(H2,21,24,28,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratories Glaxo Wellcome Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 5 from human |
J Med Chem 39: 1635-44 (1996)
Article DOI: 10.1021/jm950812j
BindingDB Entry DOI: 10.7270/Q2057F1T |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50050618
(CHEMBL291178 | [3-(1,3-Dimethyl-4-oxo-4,5-dihydro-...)Show SMILES CCCOc1ccc(NC(=O)OC)cc1-c1nc2n(C)nc(C)c2c(=O)[nH]1 Show InChI InChI=1S/C18H21N5O4/c1-5-8-27-13-7-6-11(19-18(25)26-4)9-12(13)15-20-16-14(17(24)21-15)10(2)22-23(16)3/h6-7,9H,5,8H2,1-4H3,(H,19,25)(H,20,21,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratories Glaxo Wellcome Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 5 from human |
J Med Chem 39: 1635-44 (1996)
Article DOI: 10.1021/jm950812j
BindingDB Entry DOI: 10.7270/Q2057F1T |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50050611
(1,3-Dimethyl-6-[5-(2-methyl-thiazol-4-yl)-2-propox...)Show SMILES CCCOc1ccc(cc1-c1nc2n(C)nc(C)c2c(=O)[nH]1)-c1csc(C)n1 Show InChI InChI=1S/C20H21N5O2S/c1-5-8-27-16-7-6-13(15-10-28-12(3)21-15)9-14(16)18-22-19-17(20(26)23-18)11(2)24-25(19)4/h6-7,9-10H,5,8H2,1-4H3,(H,22,23,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratories Glaxo Wellcome Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 5 from human |
J Med Chem 39: 1635-44 (1996)
Article DOI: 10.1021/jm950812j
BindingDB Entry DOI: 10.7270/Q2057F1T |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50050593
(1,3-Dimethyl-6-[5-(2-phenyl-thiazol-4-yl)-2-propox...)Show SMILES CCCOc1ccc(cc1-c1nc2n(C)nc(C)c2c(=O)[nH]1)-c1csc(n1)-c1ccccc1 Show InChI InChI=1S/C25H23N5O2S/c1-4-12-32-20-11-10-17(19-14-33-25(26-19)16-8-6-5-7-9-16)13-18(20)22-27-23-21(24(31)28-22)15(2)29-30(23)3/h5-11,13-14H,4,12H2,1-3H3,(H,27,28,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratories Glaxo Wellcome Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 5 from human |
J Med Chem 39: 1635-44 (1996)
Article DOI: 10.1021/jm950812j
BindingDB Entry DOI: 10.7270/Q2057F1T |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50050590
(1,3-Dimethyl-6-[5-(4-methyl-thiazol-2-yl)-2-propox...)Show SMILES CCCOc1ccc(cc1-c1nc2n(C)nc(C)c2c(=O)[nH]1)-c1nc(C)cs1 Show InChI InChI=1S/C20H21N5O2S/c1-5-8-27-15-7-6-13(20-21-11(2)10-28-20)9-14(15)17-22-18-16(19(26)23-17)12(3)24-25(18)4/h6-7,9-10H,5,8H2,1-4H3,(H,22,23,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratories Glaxo Wellcome Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 5 from human |
J Med Chem 39: 1635-44 (1996)
Article DOI: 10.1021/jm950812j
BindingDB Entry DOI: 10.7270/Q2057F1T |
More data for this
Ligand-Target Pair | |
Lanosterol synthase
(Homo sapiens (Human)) | BDBM50271572
(1-[4-Chlorophenylcarbonyl]-4-[4-(pyridin-4-yl)phen...)Show SMILES Clc1ccc(cc1)C(=O)N1CCN(Cc2ccc(cc2)-c2ccncc2)CC1 Show InChI InChI=1S/C23H22ClN3O/c24-22-7-5-21(6-8-22)23(28)27-15-13-26(14-16-27)17-18-1-3-19(4-2-18)20-9-11-25-12-10-20/h1-12H,13-17H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratoire GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of 2,3-oxidosqualene-lanosterol cyclase (unknown origin) |
Bioorg Med Chem 16: 6218-32 (2008)
Article DOI: 10.1016/j.bmc.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M61K14 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50050614
(1-Ethyl-3-methyl-6-[5-(2-phenyl-thiazol-4-yl)-2-pr...)Show SMILES CCCOc1ccc(cc1-c1nc2n(CC)nc(C)c2c(=O)[nH]1)-c1csc(n1)-c1ccccc1 Show InChI InChI=1S/C26H25N5O2S/c1-4-13-33-21-12-11-18(20-15-34-26(27-20)17-9-7-6-8-10-17)14-19(21)23-28-24-22(25(32)29-23)16(3)30-31(24)5-2/h6-12,14-15H,4-5,13H2,1-3H3,(H,28,29,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratories Glaxo Wellcome Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 5 from human |
J Med Chem 39: 1635-44 (1996)
Article DOI: 10.1021/jm950812j
BindingDB Entry DOI: 10.7270/Q2057F1T |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50050585
(1-[3-(1,3-Dimethyl-4-oxo-4,5-dihydro-1H-pyrazolo[3...)Show SMILES CCCOc1ccc(NC(=S)NCC)cc1-c1nc2n(C)nc(C)c2c(=O)[nH]1 Show InChI InChI=1S/C19H24N6O2S/c1-5-9-27-14-8-7-12(21-19(28)20-6-2)10-13(14)16-22-17-15(18(26)23-16)11(3)24-25(17)4/h7-8,10H,5-6,9H2,1-4H3,(H2,20,21,28)(H,22,23,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratories Glaxo Wellcome Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 5 from human |
J Med Chem 39: 1635-44 (1996)
Article DOI: 10.1021/jm950812j
BindingDB Entry DOI: 10.7270/Q2057F1T |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50050596
(1-[3-(1,3-Dimethyl-4-oxo-4,5-dihydro-1H-pyrazolo[3...)Show SMILES CCCOc1ccc(NC(=O)NCC)cc1-c1nc2n(C)nc(C)c2c(=O)[nH]1 Show InChI InChI=1S/C19H24N6O3/c1-5-9-28-14-8-7-12(21-19(27)20-6-2)10-13(14)16-22-17-15(18(26)23-16)11(3)24-25(17)4/h7-8,10H,5-6,9H2,1-4H3,(H2,20,21,27)(H,22,23,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratories Glaxo Wellcome Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 5 from human |
J Med Chem 39: 1635-44 (1996)
Article DOI: 10.1021/jm950812j
BindingDB Entry DOI: 10.7270/Q2057F1T |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50050610
(1-Ethyl-3-methyl-6-[5-(2-methyl-thiazol-4-yl)-2-pr...)Show SMILES CCCOc1ccc(cc1-c1nc2n(CC)nc(C)c2c(=O)[nH]1)-c1csc(C)n1 Show InChI InChI=1S/C21H23N5O2S/c1-5-9-28-17-8-7-14(16-11-29-13(4)22-16)10-15(17)19-23-20-18(21(27)24-19)12(3)25-26(20)6-2/h7-8,10-11H,5-6,9H2,1-4H3,(H,23,24,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratories Glaxo Wellcome Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 5 from human |
J Med Chem 39: 1635-44 (1996)
Article DOI: 10.1021/jm950812j
BindingDB Entry DOI: 10.7270/Q2057F1T |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50050576
(1,3-Dimethyl-6-(2-propoxy-5-thiazol-2-yl-phenyl)-1...)Show SMILES CCCOc1ccc(cc1-c1nc2n(C)nc(C)c2c(=O)[nH]1)-c1nccs1 Show InChI InChI=1S/C19H19N5O2S/c1-4-8-26-14-6-5-12(19-20-7-9-27-19)10-13(14)16-21-17-15(18(25)22-16)11(2)23-24(17)3/h5-7,9-10H,4,8H2,1-3H3,(H,21,22,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratories Glaxo Wellcome Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 5 from human |
J Med Chem 39: 1635-44 (1996)
Article DOI: 10.1021/jm950812j
BindingDB Entry DOI: 10.7270/Q2057F1T |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50050598
(CHEMBL45367 | N-[3-(1,3-Dimethyl-4-oxo-4,5-dihydro...)Show SMILES CCCOc1ccc(NS(C)(=O)=O)cc1-c1nc2n(C)nc(C)c2c(=O)[nH]1 Show InChI InChI=1S/C17H21N5O4S/c1-5-8-26-13-7-6-11(21-27(4,24)25)9-12(13)15-18-16-14(17(23)19-15)10(2)20-22(16)3/h6-7,9,21H,5,8H2,1-4H3,(H,18,19,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratories Glaxo Wellcome Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 5 from human |
J Med Chem 39: 1635-44 (1996)
Article DOI: 10.1021/jm950812j
BindingDB Entry DOI: 10.7270/Q2057F1T |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50050592
(CHEMBL46621 | N-[3-(1,3-Dimethyl-4-oxo-4,5-dihydro...)Show SMILES CCCOc1ccc(NC(=O)CN2CCN(C)CC2)cc1-c1nc2n(C)nc(C)c2c(=O)[nH]1 Show InChI InChI=1S/C23H31N7O3/c1-5-12-33-18-7-6-16(24-19(31)14-30-10-8-28(3)9-11-30)13-17(18)21-25-22-20(23(32)26-21)15(2)27-29(22)4/h6-7,13H,5,8-12,14H2,1-4H3,(H,24,31)(H,25,26,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratories Glaxo Wellcome Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 5 from human |
J Med Chem 39: 1635-44 (1996)
Article DOI: 10.1021/jm950812j
BindingDB Entry DOI: 10.7270/Q2057F1T |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50050600
(CHEMBL298294 | N-[3-(1-Ethyl-3-methyl-4-oxo-4,5-di...)Show SMILES CCCOc1ccc(NS(C)(=O)=O)cc1-c1nc2n(CC)nc(C)c2c(=O)[nH]1 Show InChI InChI=1S/C18H23N5O4S/c1-5-9-27-14-8-7-12(22-28(4,25)26)10-13(14)16-19-17-15(18(24)20-16)11(3)21-23(17)6-2/h7-8,10,22H,5-6,9H2,1-4H3,(H,19,20,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratories Glaxo Wellcome Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 5 from human |
J Med Chem 39: 1635-44 (1996)
Article DOI: 10.1021/jm950812j
BindingDB Entry DOI: 10.7270/Q2057F1T |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50050599
(1,3-Dimethyl-6-[5-(5-methyl-thiophen-2-yl)-2-propo...)Show SMILES CCCOc1ccc(cc1-c1nc2n(C)nc(C)c2c(=O)[nH]1)-c1ccc(C)s1 Show InChI InChI=1S/C21H22N4O2S/c1-5-10-27-16-8-7-14(17-9-6-12(2)28-17)11-15(16)19-22-20-18(21(26)23-19)13(3)24-25(20)4/h6-9,11H,5,10H2,1-4H3,(H,22,23,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratories Glaxo Wellcome Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 5 from human |
J Med Chem 39: 1635-44 (1996)
Article DOI: 10.1021/jm950812j
BindingDB Entry DOI: 10.7270/Q2057F1T |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50050575
(1,3-Dimethyl-6-(5-nitro-2-propoxy-phenyl)-1,5-dihy...)Show SMILES CCCOc1ccc(cc1-c1nc2n(C)nc(C)c2c(=O)[nH]1)[N+]([O-])=O Show InChI InChI=1S/C16H17N5O4/c1-4-7-25-12-6-5-10(21(23)24)8-11(12)14-17-15-13(16(22)18-14)9(2)19-20(15)3/h5-6,8H,4,7H2,1-3H3,(H,17,18,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratories Glaxo Wellcome Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 5 from human |
J Med Chem 39: 1635-44 (1996)
Article DOI: 10.1021/jm950812j
BindingDB Entry DOI: 10.7270/Q2057F1T |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50050621
(1,3-Dimethyl-6-[5-(2-morpholin-4-yl-acetyl)-2-prop...)Show SMILES CCCOc1ccc(cc1-c1nc2n(C)nc(C)c2c(=O)[nH]1)C(=O)CN1CCOCC1 Show InChI InChI=1S/C22H27N5O4/c1-4-9-31-18-6-5-15(17(28)13-27-7-10-30-11-8-27)12-16(18)20-23-21-19(22(29)24-20)14(2)25-26(21)3/h5-6,12H,4,7-11,13H2,1-3H3,(H,23,24,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratories Glaxo Wellcome Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 5 from human |
J Med Chem 39: 1635-44 (1996)
Article DOI: 10.1021/jm950812j
BindingDB Entry DOI: 10.7270/Q2057F1T |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50050624
(6-(5-Dimethylamino-2-propoxy-phenyl)-1-ethyl-3-met...)Show SMILES CCCOc1ccc(cc1-c1nc2n(CC)nc(C)c2c(=O)[nH]1)N(C)C Show InChI InChI=1S/C19H25N5O2/c1-6-10-26-15-9-8-13(23(4)5)11-14(15)17-20-18-16(19(25)21-17)12(3)22-24(18)7-2/h8-9,11H,6-7,10H2,1-5H3,(H,20,21,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratories Glaxo Wellcome Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 5 from human |
J Med Chem 39: 1635-44 (1996)
Article DOI: 10.1021/jm950812j
BindingDB Entry DOI: 10.7270/Q2057F1T |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50050581
(1,3-Dimethyl-6-(2-propoxy-5-thiophen-2-yl-phenyl)-...)Show SMILES CCCOc1ccc(cc1-c1nc2n(C)nc(C)c2c(=O)[nH]1)-c1cccs1 Show InChI InChI=1S/C20H20N4O2S/c1-4-9-26-15-8-7-13(16-6-5-10-27-16)11-14(15)18-21-19-17(20(25)22-18)12(2)23-24(19)3/h5-8,10-11H,4,9H2,1-3H3,(H,21,22,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratories Glaxo Wellcome Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 5 from human |
J Med Chem 39: 1635-44 (1996)
Article DOI: 10.1021/jm950812j
BindingDB Entry DOI: 10.7270/Q2057F1T |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50050602
(6-[5-(5-Amino-1H-[1,2,4]triazol-3-ylamino)-2-propo...)Show SMILES CCCOc1ccc(Nc2nnc(N)[nH]2)cc1-c1nc2n(C)nc(C)c2c(=O)[nH]1 Show InChI InChI=1S/C18H21N9O2/c1-4-7-29-12-6-5-10(20-18-23-17(19)24-25-18)8-11(12)14-21-15-13(16(28)22-14)9(2)26-27(15)3/h5-6,8H,4,7H2,1-3H3,(H,21,22,28)(H4,19,20,23,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratories Glaxo Wellcome Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 5 from human |
J Med Chem 39: 1635-44 (1996)
Article DOI: 10.1021/jm950812j
BindingDB Entry DOI: 10.7270/Q2057F1T |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50050615
(6-(5-Dimethylamino-2-propoxy-phenyl)-1,3-dimethyl-...)Show SMILES CCCOc1ccc(cc1-c1nc2n(C)nc(C)c2c(=O)[nH]1)N(C)C Show InChI InChI=1S/C18H23N5O2/c1-6-9-25-14-8-7-12(22(3)4)10-13(14)16-19-17-15(18(24)20-16)11(2)21-23(17)5/h7-8,10H,6,9H2,1-5H3,(H,19,20,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratories Glaxo Wellcome Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 5 from human |
J Med Chem 39: 1635-44 (1996)
Article DOI: 10.1021/jm950812j
BindingDB Entry DOI: 10.7270/Q2057F1T |
More data for this
Ligand-Target Pair | |
Lanosterol synthase
(Homo sapiens (Human)) | BDBM50271622
(1-[4-Chlorophenylsulfonyl]-4-[4-(4-methylpiperazin...)Show SMILES CN1CCN(CC1)c1ccc(CN2CCN(CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C22H29ClN4O2S/c1-24-10-14-26(15-11-24)21-6-2-19(3-7-21)18-25-12-16-27(17-13-25)30(28,29)22-8-4-20(23)5-9-22/h2-9H,10-18H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratoire GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of 2,3-oxidosqualene-lanosterol cyclase (unknown origin) |
Bioorg Med Chem 16: 6218-32 (2008)
Article DOI: 10.1016/j.bmc.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M61K14 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50050616
(1-Butyl-3-methyl-6-(2-propoxy-phenyl)-1,5-dihydro-...)Show InChI InChI=1S/C19H24N4O2/c1-4-6-11-23-18-16(13(3)22-23)19(24)21-17(20-18)14-9-7-8-10-15(14)25-12-5-2/h7-10H,4-6,11-12H2,1-3H3,(H,20,21,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratories Glaxo Wellcome Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 5 from human |
J Med Chem 39: 1635-44 (1996)
Article DOI: 10.1021/jm950812j
BindingDB Entry DOI: 10.7270/Q2057F1T |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50050617
(6-(5-Amino-2-propoxy-phenyl)-1-ethyl-3-methyl-1,5-...)Show SMILES CCCOc1ccc(N)cc1-c1nc2n(CC)nc(C)c2c(=O)[nH]1 Show InChI InChI=1S/C17H21N5O2/c1-4-8-24-13-7-6-11(18)9-12(13)15-19-16-14(17(23)20-15)10(3)21-22(16)5-2/h6-7,9H,4-5,8,18H2,1-3H3,(H,19,20,23) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratories Glaxo Wellcome Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 5 from human |
J Med Chem 39: 1635-44 (1996)
Article DOI: 10.1021/jm950812j
BindingDB Entry DOI: 10.7270/Q2057F1T |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50050574
(3-Methyl-6-(2-propoxy-phenyl)-1-(2,2,2-trifluoro-e...)Show SMILES CCCOc1ccccc1-c1nc2n(CC(F)(F)F)nc(C)c2c(=O)[nH]1 Show InChI InChI=1S/C17H17F3N4O2/c1-3-8-26-12-7-5-4-6-11(12)14-21-15-13(16(25)22-14)10(2)23-24(15)9-17(18,19)20/h4-7H,3,8-9H2,1-2H3,(H,21,22,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratories Glaxo Wellcome Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 5 from human |
J Med Chem 39: 1635-44 (1996)
Article DOI: 10.1021/jm950812j
BindingDB Entry DOI: 10.7270/Q2057F1T |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50050607
(1,3-Dimethyl-6-(2-propoxy-phenyl)-1,5-dihydro-pyra...)Show InChI InChI=1S/C16H18N4O2/c1-4-9-22-12-8-6-5-7-11(12)14-17-15-13(16(21)18-14)10(2)19-20(15)3/h5-8H,4,9H2,1-3H3,(H,17,18,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratories Glaxo Wellcome Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 5 from human |
J Med Chem 39: 1635-44 (1996)
Article DOI: 10.1021/jm950812j
BindingDB Entry DOI: 10.7270/Q2057F1T |
More data for this
Ligand-Target Pair | |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM50470139
(CHEMBL46745)Show InChI InChI=1S/C21H16FNO3/c22-16-11-12-19(18(13-16)21(25)15-7-3-1-4-8-15)26-14-20(24)23-17-9-5-2-6-10-17/h1-13H,14H2,(H,23,24) | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.59 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Research and Development Limited
Curated by ChEMBL
| Assay Description
Inhibitory activity against HIV-1 reverse transcriptase |
J Med Chem 38: 1657-65 (1995)
Article DOI: 10.1021/jm00010a010
BindingDB Entry DOI: 10.7270/Q27947DP |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50050606
(6-(5-Amino-2-propoxy-phenyl)-1,3-dimethyl-1,5-dihy...)Show InChI InChI=1S/C16H19N5O2/c1-4-7-23-12-6-5-10(17)8-11(12)14-18-15-13(16(22)19-14)9(2)20-21(15)3/h5-6,8H,4,7,17H2,1-3H3,(H,18,19,22) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratories Glaxo Wellcome Centre de Recherches
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 5 from human |
J Med Chem 39: 1635-44 (1996)
Article DOI: 10.1021/jm950812j
BindingDB Entry DOI: 10.7270/Q2057F1T |
More data for this
Ligand-Target Pair | |
Branched-chain-amino-acid aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50118668
(CHEMBL3617086)Show SMILES CCCCc1cc(=O)n2nc(NCc3c(F)cc(Br)cc3F)c(C#N)c2[nH]1 Show InChI InChI=1S/C18H16BrF2N5O/c1-2-3-4-11-7-16(27)26-18(24-11)12(8-22)17(25-26)23-9-13-14(20)5-10(19)6-15(13)21/h5-7,24H,2-4,9H2,1H3,(H,23,25) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description
Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ... |
J Med Chem 58: 7140-63 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00313
BindingDB Entry DOI: 10.7270/Q2T43VWK |
More data for this
Ligand-Target Pair | |
Lanosterol synthase
(Homo sapiens (Human)) | BDBM50271571
(1-[4-Chlorophenylsulfonyl]-4-[4-(pyridin-4-yl)phen...)Show SMILES Clc1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccc(cc2)-c2ccncc2)CC1 Show InChI InChI=1S/C22H22ClN3O2S/c23-21-5-7-22(8-6-21)29(27,28)26-15-13-25(14-16-26)17-18-1-3-19(4-2-18)20-9-11-24-12-10-20/h1-12H,13-17H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Laboratoire GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of 2,3-oxidosqualene-lanosterol cyclase (unknown origin) |
Bioorg Med Chem 16: 6218-32 (2008)
Article DOI: 10.1016/j.bmc.2008.04.034
BindingDB Entry DOI: 10.7270/Q2M61K14 |
More data for this
Ligand-Target Pair | |
Branched-chain-amino-acid aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50118669
(CHEMBL3617083)Show SMILES CCCCc1cc(=O)n2nc(NCc3ccc(Br)cc3F)c(C#N)c2[nH]1 Show InChI InChI=1S/C18H17BrFN5O/c1-2-3-4-13-8-16(26)25-18(23-13)14(9-21)17(24-25)22-10-11-5-6-12(19)7-15(11)20/h5-8,23H,2-4,10H2,1H3,(H,22,24) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description
Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ... |
J Med Chem 58: 7140-63 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00313
BindingDB Entry DOI: 10.7270/Q2T43VWK |
More data for this
Ligand-Target Pair | |
Branched-chain-amino-acid aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50118637
(CHEMBL3617084)Show SMILES CCCCc1cc(=O)n2nc(N[C@H](C)c3ccc(Br)cc3F)c(C#N)c2[nH]1 |r| Show InChI InChI=1S/C19H19BrFN5O/c1-3-4-5-13-9-17(27)26-19(24-13)15(10-22)18(25-26)23-11(2)14-7-6-12(20)8-16(14)21/h6-9,11,24H,3-5H2,1-2H3,(H,23,25)/t11-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description
Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ... |
J Med Chem 58: 7140-63 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00313
BindingDB Entry DOI: 10.7270/Q2T43VWK |
More data for this
Ligand-Target Pair | |
Reverse transcriptase/RNaseH
(Human immunodeficiency virus 1) | BDBM50470155
(CHEMBL288971)Show SMILES Clc1ccc(OCC(=O)N2CCc3ccccc3C2)c(c1)C(=O)c1ccccc1 Show InChI InChI=1S/C24H20ClNO3/c25-20-10-11-22(21(14-20)24(28)18-7-2-1-3-8-18)29-16-23(27)26-13-12-17-6-4-5-9-19(17)15-26/h1-11,14H,12-13,15-16H2 | PDB
MMDB
UniProtKB/TrEMBL
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 14.8 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Research and Development Limited
Curated by ChEMBL
| Assay Description
Inhibitory activity against HIV-1 reverse transcriptase |
J Med Chem 38: 1657-65 (1995)
Article DOI: 10.1021/jm00010a010
BindingDB Entry DOI: 10.7270/Q27947DP |
More data for this
Ligand-Target Pair | |
Branched-chain-amino-acid aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50118665
(CHEMBL3617085)Show SMILES CCCCc1cc(=O)n2nc(NCc3c(F)cc(Cl)cc3F)c(C#N)c2[nH]1 Show InChI InChI=1S/C18H16ClF2N5O/c1-2-3-4-11-7-16(27)26-18(24-11)12(8-22)17(25-26)23-9-13-14(20)5-10(19)6-15(13)21/h5-7,24H,2-4,9H2,1H3,(H,23,25) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description
Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ... |
J Med Chem 58: 7140-63 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00313
BindingDB Entry DOI: 10.7270/Q2T43VWK |
More data for this
Ligand-Target Pair | |
TGF-beta receptor type-1
(Homo sapiens (Human)) | BDBM50293525
(5-methyl-2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)...)Show InChI InChI=1S/C18H15N5S/c1-11-10-24-18-15(11)17(21-13-6-8-19-9-7-13)22-16(23-18)14-5-3-4-12(2)20-14/h3-10H,1-2H3,(H,19,21,22,23) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Inhibition of human ALK5 kinase expressed in Sf9 cells |
Bioorg Med Chem Lett 19: 2277-81 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.087
BindingDB Entry DOI: 10.7270/Q2K07497 |
More data for this
Ligand-Target Pair | |
Branched-chain-amino-acid aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50118672
(CHEMBL3617082)Show SMILES CCCCc1cc(=O)n2nc(NCc3ccc(Cl)cc3F)c(C#N)c2[nH]1 Show InChI InChI=1S/C18H17ClFN5O/c1-2-3-4-13-8-16(26)25-18(23-13)14(9-21)17(24-25)22-10-11-5-6-12(19)7-15(11)20/h5-8,23H,2-4,10H2,1H3,(H,22,24) | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description
Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ... |
J Med Chem 58: 7140-63 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00313
BindingDB Entry DOI: 10.7270/Q2T43VWK |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Branched-chain-amino-acid aminotransferase, mitochondrial
(Homo sapiens (Human)) | BDBM50118524
(CHEMBL3617080)Show SMILES CCCc1cc(=O)n2nc(N[C@H](C)c3ccc(Br)cc3F)c(C#N)c2[nH]1 |r| Show InChI InChI=1S/C18H17BrFN5O/c1-3-4-12-8-16(26)25-18(23-12)14(9-21)17(24-25)22-10(2)13-6-5-11(19)7-15(13)20/h5-8,10,23H,3-4H2,1-2H3,(H,22,24)/t10-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline R&D
Curated by ChEMBL
| Assay Description
Inhibition of human cloned BCATm expressed in Escherichia coli BL21 DE3 assessed as L-glutamate production from alpha-ketoglutarate after 10 mins by ... |
J Med Chem 58: 7140-63 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00313
BindingDB Entry DOI: 10.7270/Q2T43VWK |
More data for this
Ligand-Target Pair | |
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