Found 114 hits with Last Name = 'bauer' and Initial = 'mr' 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 |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50113476
(CHEMBL3603923 | US10246432, Example 17 | US1058411...)Show InChI InChI=1S/C16H8ClFN4/c17-12-4-10(7-19)3-11(5-12)15-6-16(22-9-21-15)14-2-1-13(18)8-20-14/h1-6,8-9H | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 0.501 | n/a | n/a | n/a | n/a | n/a | n/a |
Cresset
Curated by ChEMBL
| Assay Description Inhibition of mGLU5 (unknown origin) |
J Med Chem 62: 3036-3050 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01925 BindingDB Entry DOI: 10.7270/Q29Z9851 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50335827
((6R,12aR)6-(2,4-Dichlorophenyl)-2-ethyl-2,3,6,7,12...)Show SMILES CCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc(Cl)cc2Cl)C1=O |r| Show InChI InChI=1S/C22H19Cl2N3O2/c1-2-26-11-19(28)27-18(22(26)29)10-15-13-5-3-4-6-17(13)25-20(15)21(27)14-8-7-12(23)9-16(14)24/h3-9,18,21,25H,2,10-11H2,1H3/t18-,21-/m1/s1 | 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 |
German University in Cairo
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE5A-mediated hydrolysis of cGMP after 30 mins by fluorescence polarization assay |
J Med Chem 54: 495-509 (2011)
Article DOI: 10.1021/jm100842v BindingDB Entry DOI: 10.7270/Q2RR1ZHQ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM50391946
(CHEMBL2147763)Show SMILES COc1ccc2C(=O)\C(Oc2c1CN1CCNCC1)=C\c1c[nH]c2ccccc12 Show InChI InChI=1S/C23H23N3O3/c1-28-20-7-6-17-22(27)21(12-15-13-25-19-5-3-2-4-16(15)19)29-23(17)18(20)14-26-10-8-24-9-11-26/h2-7,12-13,24-25H,8-11,14H2,1H3/b21-12- | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Cresset
Curated by ChEMBL
| Assay Description Inhibition of PIM1 (unknown origin) |
J Med Chem 62: 3036-3050 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01925 BindingDB Entry DOI: 10.7270/Q29Z9851 |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50335827
((6R,12aR)6-(2,4-Dichlorophenyl)-2-ethyl-2,3,6,7,12...)Show SMILES CCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc(Cl)cc2Cl)C1=O |r| Show InChI InChI=1S/C22H19Cl2N3O2/c1-2-26-11-19(28)27-18(22(26)29)10-15-13-5-3-4-6-17(13)25-20(15)21(27)14-8-7-12(23)9-16(14)24/h3-9,18,21,25H,2,10-11H2,1H3/t18-,21-/m1/s1 | 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 |
German University in Cairo
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE5 after 30 mins by fluorescence polarization assay |
J Med Chem 54: 495-509 (2011)
Article DOI: 10.1021/jm100842v BindingDB Entry DOI: 10.7270/Q2RR1ZHQ |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50505077
(CHEMBL4588064)Show InChI InChI=1S/C16H14F3IN2O3/c17-11-4-3-10(16(24)22-25-7-1-6-23)15(14(11)19)21-13-5-2-9(20)8-12(13)18/h2-5,8,21,23H,1,6-7H2,(H,22,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Cresset
Curated by ChEMBL
| Assay Description Inhibition of MEK1 (unknown origin) |
J Med Chem 62: 3036-3050 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01925 BindingDB Entry DOI: 10.7270/Q29Z9851 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM50391948
(CHEMBL2147767)Show SMILES COc1ccc2C(=O)C(Oc2c1CN1CCNCC1)=Cc1c[nH]c2ncccc12 |w:19.22| Show InChI InChI=1S/C22H22N4O3/c1-28-18-5-4-16-20(27)19(11-14-12-25-22-15(14)3-2-6-24-22)29-21(16)17(18)13-26-9-7-23-8-10-26/h2-6,11-12,23H,7-10,13H2,1H3,(H,24,25) | PDB MMDB
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 |
Cresset
Curated by ChEMBL
| Assay Description Inhibition of PIM1 (unknown origin) |
J Med Chem 62: 3036-3050 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01925 BindingDB Entry DOI: 10.7270/Q29Z9851 |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM50391938
(CHEMBL2147845)Show SMILES COc1ccc2C(=O)\C(Oc2c1CN1CCNCC1)=C\c1n[nH]c2ccccc12 Show InChI InChI=1S/C22H22N4O3/c1-28-19-7-6-15-21(27)20(12-18-14-4-2-3-5-17(14)24-25-18)29-22(15)16(19)13-26-10-8-23-9-11-26/h2-7,12,23H,8-11,13H2,1H3,(H,24,25)/b20-12- | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cresset
Curated by ChEMBL
| Assay Description Inhibition of PIM1 (unknown origin) |
J Med Chem 62: 3036-3050 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01925 BindingDB Entry DOI: 10.7270/Q29Z9851 |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM14777
((2R,8R)-2-(2H-1,3-benzodioxol-5-yl)-6-methyl-3,6,1...)Show SMILES [H][C@]12Cc3c([nH]c4ccccc34)[C@H](N1C(=O)CN(C)C2=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
German University in Cairo
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE5A-mediated hydrolysis of cGMP after 30 mins by fluorescence polarization assay |
J Med Chem 54: 495-509 (2011)
Article DOI: 10.1021/jm100842v BindingDB Entry DOI: 10.7270/Q2RR1ZHQ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50113472
(CHEMBL3603919 | US10246432, Example 2 | US10584111...)Show InChI InChI=1S/C16H9ClN4/c17-13-6-11(9-18)5-12(7-13)15-8-16(21-10-20-15)14-3-1-2-4-19-14/h1-8,10H | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Cresset
Curated by ChEMBL
| Assay Description Inhibition of mGLU5 (unknown origin) |
J Med Chem 62: 3036-3050 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01925 BindingDB Entry DOI: 10.7270/Q29Z9851 |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50113467
(CHEMBL3603914 | US10246432, Example 14 | US1058411...)Show InChI InChI=1S/C14H8ClN5/c15-12-5-10(8-16)4-11(6-12)13-7-14(18-9-17-13)20-3-1-2-19-20/h1-7,9H | PDB MMDB
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 |
Cresset
Curated by ChEMBL
| Assay Description Inhibition of mGLU5 (unknown origin) |
J Med Chem 62: 3036-3050 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01925 BindingDB Entry DOI: 10.7270/Q29Z9851 |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50335843
((5R,11aR)5-(2,4-Dichlorophenyl)-2-ethyl-5,6,11,11a...)Show SMILES CCn1c(O)c2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(Cl)cc3Cl)n2c1=O |r| Show InChI InChI=1S/C21H17Cl2N3O2/c1-2-25-20(27)17-10-14-12-5-3-4-6-16(12)24-18(14)19(26(17)21(25)28)13-8-7-11(22)9-15(13)23/h3-9,19,24,27H,2,10H2,1H3/t19-/m1/s1 | 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 |
German University in Cairo
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE5A-mediated hydrolysis of cGMP after 30 mins by fluorescence polarization assay |
J Med Chem 54: 495-509 (2011)
Article DOI: 10.1021/jm100842v BindingDB Entry DOI: 10.7270/Q2RR1ZHQ |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50335843
((5R,11aR)5-(2,4-Dichlorophenyl)-2-ethyl-5,6,11,11a...)Show SMILES CCn1c(O)c2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(Cl)cc3Cl)n2c1=O |r| Show InChI InChI=1S/C21H17Cl2N3O2/c1-2-25-20(27)17-10-14-12-5-3-4-6-16(12)24-18(14)19(26(17)21(25)28)13-8-7-11(22)9-15(13)23/h3-9,19,24,27H,2,10H2,1H3/t19-/m1/s1 | 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 |
German University in Cairo
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE5 after 30 mins by fluorescence polarization assay |
J Med Chem 54: 495-509 (2011)
Article DOI: 10.1021/jm100842v BindingDB Entry DOI: 10.7270/Q2RR1ZHQ |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50505076
(CHEMBL4530560)Show InChI InChI=1S/C16H14BrF3N2O3/c17-9-2-5-13(12(19)8-9)21-15-10(3-4-11(18)14(15)20)16(24)22-25-7-1-6-23/h2-5,8,21,23H,1,6-7H2,(H,22,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Cresset
Curated by ChEMBL
| Assay Description Inhibition of MEK1 (unknown origin) |
J Med Chem 62: 3036-3050 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01925 BindingDB Entry DOI: 10.7270/Q29Z9851 |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50335843
((5R,11aR)5-(2,4-Dichlorophenyl)-2-ethyl-5,6,11,11a...)Show SMILES CCn1c(O)c2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(Cl)cc3Cl)n2c1=O |r| Show InChI InChI=1S/C21H17Cl2N3O2/c1-2-25-20(27)17-10-14-12-5-3-4-6-16(12)24-18(14)19(26(17)21(25)28)13-8-7-11(22)9-15(13)23/h3-9,19,24,27H,2,10H2,1H3/t19-/m1/s1 | 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 |
German University in Cairo
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE5A-mediated hydrolysis of cGMP after 30 mins by fluorescence polarization assay |
J Med Chem 54: 495-509 (2011)
Article DOI: 10.1021/jm100842v BindingDB Entry DOI: 10.7270/Q2RR1ZHQ |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50335843
((5R,11aR)5-(2,4-Dichlorophenyl)-2-ethyl-5,6,11,11a...)Show SMILES CCn1c(O)c2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(Cl)cc3Cl)n2c1=O |r| Show InChI InChI=1S/C21H17Cl2N3O2/c1-2-25-20(27)17-10-14-12-5-3-4-6-16(12)24-18(14)19(26(17)21(25)28)13-8-7-11(22)9-15(13)23/h3-9,19,24,27H,2,10H2,1H3/t19-/m1/s1 | 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 |
German University in Cairo
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE5 after 30 mins by fluorescence polarization assay |
J Med Chem 54: 495-509 (2011)
Article DOI: 10.1021/jm100842v BindingDB Entry DOI: 10.7270/Q2RR1ZHQ |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50335830
((6R,12aS)6-(2,4-Dichlorophenyl)-2-ethyl-2,3,6,7,12...)Show SMILES CCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc(Cl)cc2Cl)C1=O |r| Show InChI InChI=1S/C22H19Cl2N3O2/c1-2-26-11-19(28)27-18(22(26)29)10-15-13-5-3-4-6-17(13)25-20(15)21(27)14-8-7-12(23)9-16(14)24/h3-9,18,21,25H,2,10-11H2,1H3/t18-,21+/m0/s1 | 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 |
German University in Cairo
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE5 after 30 mins by fluorescence polarization assay |
J Med Chem 54: 495-509 (2011)
Article DOI: 10.1021/jm100842v BindingDB Entry DOI: 10.7270/Q2RR1ZHQ |
More data for this Ligand-Target Pair | |
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A
(Homo sapiens (Human)) | BDBM50335827
((6R,12aR)6-(2,4-Dichlorophenyl)-2-ethyl-2,3,6,7,12...)Show SMILES CCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc(Cl)cc2Cl)C1=O |r| Show InChI InChI=1S/C22H19Cl2N3O2/c1-2-26-11-19(28)27-18(22(26)29)10-15-13-5-3-4-6-17(13)25-20(15)21(27)14-8-7-12(23)9-16(14)24/h3-9,18,21,25H,2,10-11H2,1H3/t18-,21-/m1/s1 | KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
German University in Cairo
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE11A-mediated hydrolysis of cGMP after 30 mins by fluorescence polarization assay |
J Med Chem 54: 495-509 (2011)
Article DOI: 10.1021/jm100842v BindingDB Entry DOI: 10.7270/Q2RR1ZHQ |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50335846
((5R,11aR)5-(3,4-Dichlorophenyl)-2-tert-butyl-5,6,1...)Show SMILES CC(C)(C)n1c(O)c2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(Cl)c(Cl)c3)n2c1=O |r| Show InChI InChI=1S/C23H21Cl2N3O2/c1-23(2,3)28-21(29)18-11-14-13-6-4-5-7-17(13)26-19(14)20(27(18)22(28)30)12-8-9-15(24)16(25)10-12/h4-10,20,26,29H,11H2,1-3H3/t20-/m1/s1 | 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 | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
German University in Cairo
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE5 after 30 mins by fluorescence polarization assay |
J Med Chem 54: 495-509 (2011)
Article DOI: 10.1021/jm100842v BindingDB Entry DOI: 10.7270/Q2RR1ZHQ |
More data for this Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Homo sapiens (Human)) | BDBM50113471
(CHEMBL3603918)Show InChI InChI=1S/C14H7ClFN5/c15-11-2-9(5-17)1-10(3-11)13-4-14(19-8-18-13)21-7-12(16)6-20-21/h1-4,6-8H | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia 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 |
Cresset
Curated by ChEMBL
| Assay Description Inhibition of mGLU5 (unknown origin) |
J Med Chem 62: 3036-3050 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01925 BindingDB Entry DOI: 10.7270/Q29Z9851 |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50505078
(CHEMBL4590482)Show InChI InChI=1S/C16H14ClF3N2O3/c17-9-2-5-13(12(19)8-9)21-15-10(3-4-11(18)14(15)20)16(24)22-25-7-1-6-23/h2-5,8,21,23H,1,6-7H2,(H,22,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Cresset
Curated by ChEMBL
| Assay Description Inhibition of MEK1 (unknown origin) |
J Med Chem 62: 3036-3050 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01925 BindingDB Entry DOI: 10.7270/Q29Z9851 |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50335823
((6R,12aR)6-(2,4-Dichlorophenyl)-2-methyl-2,3,6,7,1...)Show SMILES CN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc(Cl)cc2Cl)C1=O |r| Show InChI InChI=1S/C21H17Cl2N3O2/c1-25-10-18(27)26-17(21(25)28)9-14-12-4-2-3-5-16(12)24-19(14)20(26)13-7-6-11(22)8-15(13)23/h2-8,17,20,24H,9-10H2,1H3/t17-,20-/m1/s1 | 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 | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
German University in Cairo
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE5 after 30 mins by fluorescence polarization assay |
J Med Chem 54: 495-509 (2011)
Article DOI: 10.1021/jm100842v BindingDB Entry DOI: 10.7270/Q2RR1ZHQ |
More data for this Ligand-Target Pair | |
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A
(Homo sapiens (Human)) | BDBM14777
((2R,8R)-2-(2H-1,3-benzodioxol-5-yl)-6-methyl-3,6,1...)Show SMILES [H][C@]12Cc3c([nH]c4ccccc34)[C@H](N1C(=O)CN(C)C2=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21-/m1/s1 | KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
German University in Cairo
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE11A-mediated hydrolysis of cGMP after 30 mins by fluorescence polarization assay |
J Med Chem 54: 495-509 (2011)
Article DOI: 10.1021/jm100842v BindingDB Entry DOI: 10.7270/Q2RR1ZHQ |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50335826
((6R,12aS)6-(2,4-Dichlorophenyl)-2-methyl-2,3,6,7,1...)Show SMILES CN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc(Cl)cc2Cl)C1=O |r| Show InChI InChI=1S/C21H17Cl2N3O2/c1-25-10-18(27)26-17(21(25)28)9-14-12-4-2-3-5-16(12)24-19(14)20(26)13-7-6-11(22)8-15(13)23/h2-8,17,20,24H,9-10H2,1H3/t17-,20+/m0/s1 | 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 | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
German University in Cairo
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE5 after 30 mins by fluorescence polarization assay |
J Med Chem 54: 495-509 (2011)
Article DOI: 10.1021/jm100842v BindingDB Entry DOI: 10.7270/Q2RR1ZHQ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM50391944
(CHEMBL2147769)Show SMILES COc1ccc2C(=O)C(Oc2c1CN1CCNCC1)=Cc1c[nH]c2ccncc12 |w:19.22| Show InChI InChI=1S/C22H22N4O3/c1-28-19-3-2-15-21(27)20(10-14-11-25-18-4-5-24-12-16(14)18)29-22(15)17(19)13-26-8-6-23-7-9-26/h2-5,10-12,23,25H,6-9,13H2,1H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
Cresset
Curated by ChEMBL
| Assay Description Inhibition of PIM1 (unknown origin) |
J Med Chem 62: 3036-3050 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01925 BindingDB Entry DOI: 10.7270/Q29Z9851 |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50335845
((5R,11aS)5-(2,4-Dichlorophenyl)-2-tert-butyl-5,6,1...)Show SMILES CC(C)(C)n1c(O)c2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(Cl)cc3Cl)n2c1=O |r| Show InChI InChI=1S/C23H21Cl2N3O2/c1-23(2,3)28-21(29)18-11-15-13-6-4-5-7-17(13)26-19(15)20(27(18)22(28)30)14-9-8-12(24)10-16(14)25/h4-10,20,26,29H,11H2,1-3H3/t20-/m1/s1 | 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 | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
German University in Cairo
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE5 after 30 mins by fluorescence polarization assay |
J Med Chem 54: 495-509 (2011)
Article DOI: 10.1021/jm100842v BindingDB Entry DOI: 10.7270/Q2RR1ZHQ |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50335855
((5S,11aR)5-(2,4-Dichlorophenyl)-2-ethyl-5,6,11,11a...)Show SMILES CCn1c(O)c2Cc3c([nH]c4ccccc34)[C@H](c3ccc(Cl)cc3Cl)n2c1=O |r| Show InChI InChI=1S/C21H17Cl2N3O2/c1-2-25-20(27)17-10-14-12-5-3-4-6-16(12)24-18(14)19(26(17)21(25)28)13-8-7-11(22)9-15(13)23/h3-9,19,24,27H,2,10H2,1H3/t19-/m0/s1 | 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 | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
German University in Cairo
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE5 after 30 mins by fluorescence polarization assay |
J Med Chem 54: 495-509 (2011)
Article DOI: 10.1021/jm100842v BindingDB Entry DOI: 10.7270/Q2RR1ZHQ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM50391949
(CHEMBL2147768)Show SMILES COc1ccc2C(=O)\C(Oc2c1CN1CCNCC1)=C\c1c[nH]c2cnccc12 Show InChI InChI=1S/C22H22N4O3/c1-28-19-3-2-16-21(27)20(10-14-11-25-18-12-24-5-4-15(14)18)29-22(16)17(19)13-26-8-6-23-7-9-26/h2-5,10-12,23,25H,6-9,13H2,1H3/b20-10- | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 92 | n/a | n/a | n/a | n/a | n/a | n/a |
Cresset
Curated by ChEMBL
| Assay Description Inhibition of PIM1 (unknown origin) |
J Med Chem 62: 3036-3050 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01925 BindingDB Entry DOI: 10.7270/Q29Z9851 |
More data for this Ligand-Target Pair | |
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A
(Homo sapiens (Human)) | BDBM50335827
((6R,12aR)6-(2,4-Dichlorophenyl)-2-ethyl-2,3,6,7,12...)Show SMILES CCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc(Cl)cc2Cl)C1=O |r| Show InChI InChI=1S/C22H19Cl2N3O2/c1-2-26-11-19(28)27-18(22(26)29)10-15-13-5-3-4-6-17(13)25-20(15)21(27)14-8-7-12(23)9-16(14)24/h3-9,18,21,25H,2,10-11H2,1H3/t18-,21-/m1/s1 | KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 104 | n/a | n/a | n/a | n/a | n/a | n/a |
German University in Cairo
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE11A-mediated hydrolysis of cAMP after 30 mins by fluorescence polarization assay |
J Med Chem 54: 495-509 (2011)
Article DOI: 10.1021/jm100842v BindingDB Entry DOI: 10.7270/Q2RR1ZHQ |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50505075
(CHEMBL4443751)Show InChI InChI=1S/C16H14F4N2O3/c17-9-2-5-13(12(19)8-9)21-15-10(3-4-11(18)14(15)20)16(24)22-25-7-1-6-23/h2-5,8,21,23H,1,6-7H2,(H,22,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Cresset
Curated by ChEMBL
| Assay Description Inhibition of MEK1 (unknown origin) |
J Med Chem 62: 3036-3050 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01925 BindingDB Entry DOI: 10.7270/Q29Z9851 |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50335857
((5R,11aR)5-(3,4-Dichlorophenyl)-2-ethyl-5,6,11,11a...)Show SMILES CCn1c(O)c2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(Cl)c(Cl)c3)n2c1=O |r| Show InChI InChI=1S/C21H17Cl2N3O2/c1-2-25-20(27)17-10-13-12-5-3-4-6-16(12)24-18(13)19(26(17)21(25)28)11-7-8-14(22)15(23)9-11/h3-9,19,24,27H,2,10H2,1H3/t19-/m1/s1 | 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 | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
German University in Cairo
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE5 after 30 mins by fluorescence polarization assay |
J Med Chem 54: 495-509 (2011)
Article DOI: 10.1021/jm100842v BindingDB Entry DOI: 10.7270/Q2RR1ZHQ |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50335838
((6R,12aR)6-(2,4-Dichlorophenyl)-2-tert-butyl-2,3,6...)Show SMILES CC(C)(C)N1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc(Cl)cc2Cl)C1=O |r| Show InChI InChI=1S/C24H23Cl2N3O2/c1-24(2,3)28-12-20(30)29-19(23(28)31)11-16-14-6-4-5-7-18(14)27-21(16)22(29)15-9-8-13(25)10-17(15)26/h4-10,19,22,27H,11-12H2,1-3H3/t19-,22-/m1/s1 | 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 | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
German University in Cairo
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE5 after 30 mins by fluorescence polarization assay |
J Med Chem 54: 495-509 (2011)
Article DOI: 10.1021/jm100842v BindingDB Entry DOI: 10.7270/Q2RR1ZHQ |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50335841
((6R,12aS)6-(2,4-Dichlorophenyl)-2-tert-butyl-2,3,6...)Show SMILES CC(C)(C)N1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc(Cl)cc2Cl)C1=O |r| Show InChI InChI=1S/C24H23Cl2N3O2/c1-24(2,3)28-12-20(30)29-19(23(28)31)11-16-14-6-4-5-7-18(14)27-21(16)22(29)15-9-8-13(25)10-17(15)26/h4-10,19,22,27H,11-12H2,1-3H3/t19-,22+/m0/s1 | 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 | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
German University in Cairo
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE5 after 30 mins by fluorescence polarization assay |
J Med Chem 54: 495-509 (2011)
Article DOI: 10.1021/jm100842v BindingDB Entry DOI: 10.7270/Q2RR1ZHQ |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50335828
((6S,12aR)6-(2,4-Dichlorophenyl)-2-ethyl-2,3,6,7,12...)Show SMILES CCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@@H]2c2ccc(Cl)cc2Cl)C1=O |r| Show InChI InChI=1S/C22H19Cl2N3O2/c1-2-26-11-19(28)27-18(22(26)29)10-15-13-5-3-4-6-17(13)25-20(15)21(27)14-8-7-12(23)9-16(14)24/h3-9,18,21,25H,2,10-11H2,1H3/t18-,21+/m1/s1 | 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 | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
German University in Cairo
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE5 after 30 mins by fluorescence polarization assay |
J Med Chem 54: 495-509 (2011)
Article DOI: 10.1021/jm100842v BindingDB Entry DOI: 10.7270/Q2RR1ZHQ |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50335834
((6R,12aR)6-(2,4-Dichlorophenyl)-2-butyl-2,3,6,7,12...)Show SMILES CCCCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc(Cl)cc2Cl)C1=O |r| Show InChI InChI=1S/C24H23Cl2N3O2/c1-2-3-10-28-13-21(30)29-20(24(28)31)12-17-15-6-4-5-7-19(15)27-22(17)23(29)16-9-8-14(25)11-18(16)26/h4-9,11,20,23,27H,2-3,10,12-13H2,1H3/t20-,23-/m1/s1 | 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 | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
German University in Cairo
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE5 after 30 mins by fluorescence polarization assay |
J Med Chem 54: 495-509 (2011)
Article DOI: 10.1021/jm100842v BindingDB Entry DOI: 10.7270/Q2RR1ZHQ |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50335837
((6R,12aS)6-(2,4-Dichlorophenyl)-2-butyl-2,3,6,7,12...)Show SMILES CCCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc(Cl)cc2Cl)C1=O |r| Show InChI InChI=1S/C24H23Cl2N3O2/c1-2-3-10-28-13-21(30)29-20(24(28)31)12-17-15-6-4-5-7-19(15)27-22(17)23(29)16-9-8-14(25)11-18(16)26/h4-9,11,20,23,27H,2-3,10,12-13H2,1H3/t20-,23+/m0/s1 | 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 | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
German University in Cairo
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE5 after 30 mins by fluorescence polarization assay |
J Med Chem 54: 495-509 (2011)
Article DOI: 10.1021/jm100842v BindingDB Entry DOI: 10.7270/Q2RR1ZHQ |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50335857
((5R,11aR)5-(3,4-Dichlorophenyl)-2-ethyl-5,6,11,11a...)Show SMILES CCn1c(O)c2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(Cl)c(Cl)c3)n2c1=O |r| Show InChI InChI=1S/C21H17Cl2N3O2/c1-2-25-20(27)17-10-13-12-5-3-4-6-16(12)24-18(13)19(26(17)21(25)28)11-7-8-14(22)15(23)9-11/h3-9,19,24,27H,2,10H2,1H3/t19-/m1/s1 | 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 | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
German University in Cairo
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE5 after 30 mins by fluorescence polarization assay |
J Med Chem 54: 495-509 (2011)
Article DOI: 10.1021/jm100842v BindingDB Entry DOI: 10.7270/Q2RR1ZHQ |
More data for this Ligand-Target Pair | |
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A
(Homo sapiens (Human)) | BDBM14777
((2R,8R)-2-(2H-1,3-benzodioxol-5-yl)-6-methyl-3,6,1...)Show SMILES [H][C@]12Cc3c([nH]c4ccccc34)[C@H](N1C(=O)CN(C)C2=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21-/m1/s1 | KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank Article PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
German University in Cairo
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE11A-mediated hydrolysis of cAMP after 30 mins by fluorescence polarization assay |
J Med Chem 54: 495-509 (2011)
Article DOI: 10.1021/jm100842v BindingDB Entry DOI: 10.7270/Q2RR1ZHQ |
More data for this Ligand-Target Pair | |
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A
(Homo sapiens (Human)) | BDBM50335843
((5R,11aR)5-(2,4-Dichlorophenyl)-2-ethyl-5,6,11,11a...)Show SMILES CCn1c(O)c2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(Cl)cc3Cl)n2c1=O |r| Show InChI InChI=1S/C21H17Cl2N3O2/c1-2-25-20(27)17-10-14-12-5-3-4-6-16(12)24-18(14)19(26(17)21(25)28)13-8-7-11(22)9-15(13)23/h3-9,19,24,27H,2,10H2,1H3/t19-/m1/s1 | KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
German University in Cairo
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE11A-mediated hydrolysis of cGMP after 30 mins by fluorescence polarization assay |
J Med Chem 54: 495-509 (2011)
Article DOI: 10.1021/jm100842v BindingDB Entry DOI: 10.7270/Q2RR1ZHQ |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50335851
((1S,3S)Methyl 1-(2,4-Dichlorophenyl)-2-(2-chloroac...)Show SMILES COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](N1C(=O)CCl)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C21H17Cl3N2O3/c1-29-21(28)17-9-14-12-4-2-3-5-16(12)25-19(14)20(26(17)18(27)10-22)13-7-6-11(23)8-15(13)24/h2-8,17,20,25H,9-10H2,1H3/t17-,20-/m0/s1 | 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 | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
German University in Cairo
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE5 after 30 mins by fluorescence polarization assay |
J Med Chem 54: 495-509 (2011)
Article DOI: 10.1021/jm100842v BindingDB Entry DOI: 10.7270/Q2RR1ZHQ |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human)) | BDBM50391945
(CHEMBL2147770)Show SMILES COc1ccc2C(=O)C(Oc2c1CN1CCNCC1)=Cc1c[nH]c2cccnc12 |w:19.22| Show InChI InChI=1S/C22H22N4O3/c1-28-18-5-4-15-21(27)19(11-14-12-25-17-3-2-6-24-20(14)17)29-22(15)16(18)13-26-9-7-23-8-10-26/h2-6,11-12,23,25H,7-10,13H2,1H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 447 | n/a | n/a | n/a | n/a | n/a | n/a |
Cresset
Curated by ChEMBL
| Assay Description Inhibition of PIM1 (unknown origin) |
J Med Chem 62: 3036-3050 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01925 BindingDB Entry DOI: 10.7270/Q29Z9851 |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50335853
((1R,3S)Methyl-1-(2,4-Dichlorophenyl)-2,3,4,9-tetra...)Show SMILES COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C19H16Cl2N2O2/c1-25-19(24)16-9-13-11-4-2-3-5-15(11)22-18(13)17(23-16)12-7-6-10(20)8-14(12)21/h2-8,16-17,22-23H,9H2,1H3/t16-,17+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 570 | n/a | n/a | n/a | n/a | n/a | n/a |
German University in Cairo
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE5 after 30 mins by fluorescence polarization assay |
J Med Chem 54: 495-509 (2011)
Article DOI: 10.1021/jm100842v BindingDB Entry DOI: 10.7270/Q2RR1ZHQ |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50335845
((5R,11aS)5-(2,4-Dichlorophenyl)-2-tert-butyl-5,6,1...)Show SMILES CC(C)(C)n1c(O)c2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(Cl)cc3Cl)n2c1=O |r| Show InChI InChI=1S/C23H21Cl2N3O2/c1-23(2,3)28-21(29)18-11-15-13-6-4-5-7-17(13)26-19(15)20(27(18)22(28)30)14-9-8-12(24)10-16(14)25/h4-10,20,26,29H,11H2,1-3H3/t20-/m1/s1 | 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 | 590 | n/a | n/a | n/a | n/a | n/a | n/a |
German University in Cairo
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE5 after 30 mins by fluorescence polarization assay |
J Med Chem 54: 495-509 (2011)
Article DOI: 10.1021/jm100842v BindingDB Entry DOI: 10.7270/Q2RR1ZHQ |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50335822
((1S,3S)Methyl 1-(2,6-Dichlorophenyl)-2-(2-chloroac...)Show SMILES COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](N1C(=O)CCl)c1c(Cl)cccc1Cl |r| Show InChI InChI=1S/C21H17Cl3N2O3/c1-29-21(28)16-9-12-11-5-2-3-8-15(11)25-19(12)20(26(16)17(27)10-22)18-13(23)6-4-7-14(18)24/h2-8,16,20,25H,9-10H2,1H3/t16-,20-/m0/s1 | 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 | 730 | n/a | n/a | n/a | n/a | n/a | n/a |
German University in Cairo
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE5 after 30 mins by fluorescence polarization assay |
J Med Chem 54: 495-509 (2011)
Article DOI: 10.1021/jm100842v BindingDB Entry DOI: 10.7270/Q2RR1ZHQ |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50335825
((6S,12aS)6-(2,4-Dichlorophenyl)-2-methyl-2,3,6,7,1...)Show SMILES CN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2ccc(Cl)cc2Cl)C1=O |r| Show InChI InChI=1S/C21H17Cl2N3O2/c1-25-10-18(27)26-17(21(25)28)9-14-12-4-2-3-5-16(12)24-19(14)20(26)13-7-6-11(22)8-15(13)23/h2-8,17,20,24H,9-10H2,1H3/t17-,20-/m0/s1 | 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 | 850 | n/a | n/a | n/a | n/a | n/a | n/a |
German University in Cairo
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE5 after 30 mins by fluorescence polarization assay |
J Med Chem 54: 495-509 (2011)
Article DOI: 10.1021/jm100842v BindingDB Entry DOI: 10.7270/Q2RR1ZHQ |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50335855
((5S,11aR)5-(2,4-Dichlorophenyl)-2-ethyl-5,6,11,11a...)Show SMILES CCn1c(O)c2Cc3c([nH]c4ccccc34)[C@H](c3ccc(Cl)cc3Cl)n2c1=O |r| Show InChI InChI=1S/C21H17Cl2N3O2/c1-2-25-20(27)17-10-14-12-5-3-4-6-16(12)24-18(14)19(26(17)21(25)28)13-8-7-11(22)9-15(13)23/h3-9,19,24,27H,2,10H2,1H3/t19-/m0/s1 | 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 | 850 | n/a | n/a | n/a | n/a | n/a | n/a |
German University in Cairo
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE5 after 30 mins by fluorescence polarization assay |
J Med Chem 54: 495-509 (2011)
Article DOI: 10.1021/jm100842v BindingDB Entry DOI: 10.7270/Q2RR1ZHQ |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50335829
((6S,12aS)6-(2,4-Dichlorophenyl)-2-ethyl-2,3,6,7,12...)Show SMILES CCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2ccc(Cl)cc2Cl)C1=O |r| Show InChI InChI=1S/C22H19Cl2N3O2/c1-2-26-11-19(28)27-18(22(26)29)10-15-13-5-3-4-6-17(13)25-20(15)21(27)14-8-7-12(23)9-16(14)24/h3-9,18,21,25H,2,10-11H2,1H3/t18-,21-/m0/s1 | 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 | 990 | n/a | n/a | n/a | n/a | n/a | n/a |
German University in Cairo
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE5 after 30 mins by fluorescence polarization assay |
J Med Chem 54: 495-509 (2011)
Article DOI: 10.1021/jm100842v BindingDB Entry DOI: 10.7270/Q2RR1ZHQ |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50335835
((6S,12aR)6-(2,4-Dichlorophenyl)-2-butyl-2,3,6,7,12...)Show SMILES CCCCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@@H]2c2ccc(Cl)cc2Cl)C1=O |r| Show InChI InChI=1S/C24H23Cl2N3O2/c1-2-3-10-28-13-21(30)29-20(24(28)31)12-17-15-6-4-5-7-19(15)27-22(17)23(29)16-9-8-14(25)11-18(16)26/h4-9,11,20,23,27H,2-3,10,12-13H2,1H3/t20-,23+/m1/s1 | 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 | 1.11E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
German University in Cairo
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE5 after 30 mins by fluorescence polarization assay |
J Med Chem 54: 495-509 (2011)
Article DOI: 10.1021/jm100842v BindingDB Entry DOI: 10.7270/Q2RR1ZHQ |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50335824
((6S,12aR)6-(2,4-Dichlorophenyl)-2-methyl-2,3,6,7,1...)Show SMILES CN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@@H]2c2ccc(Cl)cc2Cl)C1=O |r| Show InChI InChI=1S/C21H17Cl2N3O2/c1-25-10-18(27)26-17(21(25)28)9-14-12-4-2-3-5-16(12)24-19(14)20(26)13-7-6-11(22)8-15(13)23/h2-8,17,20,24H,9-10H2,1H3/t17-,20+/m1/s1 | 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 | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
German University in Cairo
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE5 after 30 mins by fluorescence polarization assay |
J Med Chem 54: 495-509 (2011)
Article DOI: 10.1021/jm100842v BindingDB Entry DOI: 10.7270/Q2RR1ZHQ |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50335839
((6S,12aR)6-(2,4-Dichlorophenyl)-2-tert-butyl-2,3,6...)Show SMILES CC(C)(C)N1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@@H]2c2ccc(Cl)cc2Cl)C1=O |r| Show InChI InChI=1S/C24H23Cl2N3O2/c1-24(2,3)28-12-20(30)29-19(23(28)31)11-16-14-6-4-5-7-18(14)27-21(16)22(29)15-9-8-13(25)10-17(15)26/h4-10,19,22,27H,11-12H2,1-3H3/t19-,22+/m1/s1 | 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 | 1.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
German University in Cairo
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE5 after 30 mins by fluorescence polarization assay |
J Med Chem 54: 495-509 (2011)
Article DOI: 10.1021/jm100842v BindingDB Entry DOI: 10.7270/Q2RR1ZHQ |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50335842
((6R,12aS)6-(3,4-Dichlorophenyl)-2-tert-butyl-2,3,6...)Show SMILES CC(C)(C)N1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc(Cl)c(Cl)c2)C1=O |r| Show InChI InChI=1S/C24H23Cl2N3O2/c1-24(2,3)28-12-20(30)29-19(23(28)31)11-15-14-6-4-5-7-18(14)27-21(15)22(29)13-8-9-16(25)17(26)10-13/h4-10,19,22,27H,11-12H2,1-3H3/t19-,22+/m0/s1 | 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 | 1.27E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
German University in Cairo
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE5 after 30 mins by fluorescence polarization assay |
J Med Chem 54: 495-509 (2011)
Article DOI: 10.1021/jm100842v BindingDB Entry DOI: 10.7270/Q2RR1ZHQ |
More data for this Ligand-Target Pair | |