Found 194 hits with Last Name = 'haberthuer' and Initial = 's' 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 |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM25771
(1-hydroxy-2-naphthoic acid;4-[1-hydroxy-2-[6-(4-ph...)Show InChI InChI=1S/C25H37NO4/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description Binding affinity for human beta-2 adrenergic receptor |
Bioorg Med Chem Lett 14: 4705-10 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.086 BindingDB Entry DOI: 10.7270/Q2416XSZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM86453
(CAS_73573-87-2 | Formoterol | NSC_3083544)Show InChI InChI=1S/C19H24N2O4/c1-13(9-14-3-6-16(25-2)7-4-14)20-11-19(24)15-5-8-18(23)17(10-15)21-12-22/h3-8,10,12-13,19-20,23-24H,9,11H2,1-2H3,(H,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank KEGG PC cid PC sid UniChem
Patents
Similars
| DrugBank Article PubMed
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description Binding affinity for human beta-2 adrenergic receptor |
Bioorg Med Chem Lett 14: 4705-10 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.086 BindingDB Entry DOI: 10.7270/Q2416XSZ |
More data for this Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50151724
(CHEMBL183948 | N-[2-Hydroxy-5-(1-hydroxy-2-{2-[3-(...)Show SMILES O[C@@H](CNCCc1cccc(OCCCOc2ccccc2)c1)c1ccc(O)c(NC=O)c1 Show InChI InChI=1S/C26H30N2O5/c29-19-28-24-17-21(10-11-25(24)30)26(31)18-27-13-12-20-6-4-9-23(16-20)33-15-5-14-32-22-7-2-1-3-8-22/h1-4,6-11,16-17,19,26-27,30-31H,5,12-15,18H2,(H,28,29)/t26-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description Binding affinity for human beta-2 adrenergic receptor |
Bioorg Med Chem Lett 14: 4705-10 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.086 BindingDB Entry DOI: 10.7270/Q2416XSZ |
More data for this Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50151719
(CHEMBL363329 | N-[2-Hydroxy-5-(1-hydroxy-2-{2-[4-(...)Show SMILES O[C@@H](CNCCc1ccc(OCCCc2ccccc2)cc1)c1ccc(O)c(NC=O)c1 Show InChI InChI=1S/C26H30N2O4/c29-19-28-24-17-22(10-13-25(24)30)26(31)18-27-15-14-21-8-11-23(12-9-21)32-16-4-7-20-5-2-1-3-6-20/h1-3,5-6,8-13,17,19,26-27,30-31H,4,7,14-16,18H2,(H,28,29)/t26-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 5.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description Binding affinity for human beta-2 adrenergic receptor |
Bioorg Med Chem Lett 14: 4705-10 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.086 BindingDB Entry DOI: 10.7270/Q2416XSZ |
More data for this Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50151721
(CHEMBL363260 | N-(2-Hydroxy-5-{(R)-1-hydroxy-2-[2-...)Show SMILES O[C@@H](CNCCc1ccc(OCCc2ccccc2)cc1)c1ccc(O)c(NC=O)c1 Show InChI InChI=1S/C25H28N2O4/c28-18-27-23-16-21(8-11-24(23)29)25(30)17-26-14-12-20-6-9-22(10-7-20)31-15-13-19-4-2-1-3-5-19/h1-11,16,18,25-26,29-30H,12-15,17H2,(H,27,28)/t25-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 7.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description Binding affinity for human beta-2 adrenergic receptor |
Bioorg Med Chem Lett 14: 4705-10 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.086 BindingDB Entry DOI: 10.7270/Q2416XSZ |
More data for this Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50151718
(CHEMBL440561 | N-[2-Hydroxy-5-((R)-1-hydroxy-2-{2-...)Show SMILES O[C@@H](CNCCc1cccc(OCCCCc2ccccc2)c1)c1ccc(O)c(NC=O)c1 Show InChI InChI=1S/C27H32N2O4/c30-20-29-25-18-23(12-13-26(25)31)27(32)19-28-15-14-22-10-6-11-24(17-22)33-16-5-4-9-21-7-2-1-3-8-21/h1-3,6-8,10-13,17-18,20,27-28,31-32H,4-5,9,14-16,19H2,(H,29,30)/t27-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 8.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description Binding affinity for human beta-2 adrenergic receptor |
Bioorg Med Chem Lett 14: 4705-10 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.086 BindingDB Entry DOI: 10.7270/Q2416XSZ |
More data for this Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50151723
(CHEMBL185052 | N-[2-Hydroxy-5-((R)-1-hydroxy-2-{2-...)Show SMILES O[C@@H](CNCCc1ccc(OCCCCc2ccccc2)cc1)c1ccc(O)c(NC=O)c1 Show InChI InChI=1S/C27H32N2O4/c30-20-29-25-18-23(11-14-26(25)31)27(32)19-28-16-15-22-9-12-24(13-10-22)33-17-5-4-8-21-6-2-1-3-7-21/h1-3,6-7,9-14,18,20,27-28,31-32H,4-5,8,15-17,19H2,(H,29,30)/t27-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 9.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description Binding affinity for human beta-2 adrenergic receptor |
Bioorg Med Chem Lett 14: 4705-10 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.086 BindingDB Entry DOI: 10.7270/Q2416XSZ |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50166735
(3-[5-(2-Methyl-imidazol-1-yl)-2-(pyrazin-2-ylamino...)Show SMILES Cc1nccn1-c1sc(Nc2cccc(C)n2)nc1-c1cccc(c1)C#N Show InChI InChI=1S/C20H16N6S/c1-13-5-3-8-17(23-13)24-20-25-18(16-7-4-6-15(11-16)12-21)19(27-20)26-10-9-22-14(26)2/h3-11H,1-2H3,(H,23,24,25) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of luciferase production elicited by NECA by compound in CHO cells transfected with human adenosine A2b receptor and a luciferase expressi... |
Bioorg Med Chem Lett 15: 3081-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG |
More data for this Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50151717
(CHEMBL184538 | N-[2-Hydroxy-5-(1-hydroxy-2-{2-[4-(...)Show SMILES O[C@@H](CNCCc1ccc(OC2Cc3ccccc3C2)cc1)c1ccc(O)c(NC=O)c1 Show InChI InChI=1S/C26H28N2O4/c29-17-28-24-15-21(7-10-25(24)30)26(31)16-27-12-11-18-5-8-22(9-6-18)32-23-13-19-3-1-2-4-20(19)14-23/h1-10,15,17,23,26-27,30-31H,11-14,16H2,(H,28,29)/t26-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description Binding affinity for human beta-2 adrenergic receptor |
Bioorg Med Chem Lett 14: 4705-10 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.086 BindingDB Entry DOI: 10.7270/Q2416XSZ |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50166742
(3-[2-(3-Methyl-pyridin-2-ylamino)-5-[1,2,4]triazol...)Show SMILES Cc1cccc(Nc2nc(c(s2)-n2cncn2)-c2cccc(c2)C#N)n1 Show InChI InChI=1S/C18H13N7S/c1-12-4-2-7-15(22-12)23-18-24-16(14-6-3-5-13(8-14)9-19)17(26-18)25-11-20-10-21-25/h2-8,10-11H,1H3,(H,22,23,24) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of luciferase production elicited by NECA by compound in CHO cells transfected with human adenosine A2b receptor and a luciferase expressi... |
Bioorg Med Chem Lett 15: 3081-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50166739
(3-[2-(Pyridin-2-ylamino)-5-[1,2,4]triazol-1-yl-thi...)Show InChI InChI=1S/C17H11N7S/c18-9-12-4-3-5-13(8-12)15-16(24-11-19-10-21-24)25-17(23-15)22-14-6-1-2-7-20-14/h1-8,10-11H,(H,20,22,23) | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Displacement of [125I]-AB-MECA from human adenosine A3 receptors transfected in CHO cells |
Bioorg Med Chem Lett 15: 3081-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG |
More data for this Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50151722
(CHEMBL185262 | N-(2-Hydroxy-5-{1-hydroxy-2-[2-(4-p...)Show SMILES O[C@@H](CNCCc1ccc(Oc2ccccc2)cc1)c1ccc(O)c(NC=O)c1 Show InChI InChI=1S/C23H24N2O4/c26-16-25-21-14-18(8-11-22(21)27)23(28)15-24-13-12-17-6-9-20(10-7-17)29-19-4-2-1-3-5-19/h1-11,14,16,23-24,27-28H,12-13,15H2,(H,25,26)/t23-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 35 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description Binding affinity for human beta-2 adrenergic receptor |
Bioorg Med Chem Lett 14: 4705-10 (2004)
Article DOI: 10.1016/j.bmcl.2004.06.086 BindingDB Entry DOI: 10.7270/Q2416XSZ |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50166742
(3-[2-(3-Methyl-pyridin-2-ylamino)-5-[1,2,4]triazol...)Show SMILES Cc1cccc(Nc2nc(c(s2)-n2cncn2)-c2cccc(c2)C#N)n1 Show InChI InChI=1S/C18H13N7S/c1-12-4-2-7-15(22-12)23-18-24-16(14-6-3-5-13(8-14)9-19)17(26-18)25-11-20-10-21-25/h2-8,10-11H,1H3,(H,22,23,24) | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Displacement of [125I]-AB-MECA from human adenosine A3 receptors transfected in CHO cells |
Bioorg Med Chem Lett 15: 3081-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50166739
(3-[2-(Pyridin-2-ylamino)-5-[1,2,4]triazol-1-yl-thi...)Show InChI InChI=1S/C17H11N7S/c18-9-12-4-3-5-13(8-12)15-16(24-11-19-10-21-24)25-17(23-15)22-14-6-1-2-7-20-14/h1-8,10-11H,(H,20,22,23) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 53 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of luciferase production elicited by NECA by compound in CHO cells transfected with human adenosine A2b receptor and a luciferase expressi... |
Bioorg Med Chem Lett 15: 3081-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50166745
(3-[2-(Pyridin-4-ylamino)-5-[1,2,4]triazol-1-yl-thi...)Show InChI InChI=1S/C17H11N7S/c18-9-12-2-1-3-13(8-12)15-16(24-11-20-10-21-24)25-17(23-15)22-14-4-6-19-7-5-14/h1-8,10-11H,(H,19,22,23) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 62 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of luciferase production elicited by NECA by compound in CHO cells transfected with human adenosine A2b receptor and a luciferase expressi... |
Bioorg Med Chem Lett 15: 3081-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50166737
(3-[2-(Pyridin-3-ylamino)-5-[1,2,4]triazol-1-yl-thi...)Show InChI InChI=1S/C17H11N7S/c18-8-12-3-1-4-13(7-12)15-16(24-11-20-10-21-24)25-17(23-15)22-14-5-2-6-19-9-14/h1-7,9-11H,(H,22,23) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 86 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of luciferase production elicited by NECA by compound in CHO cells transfected with human adenosine A2b receptor and a luciferase expressi... |
Bioorg Med Chem Lett 15: 3081-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50166743
(3-[5-Imidazol-1-yl-2-(pyridin-3-ylamino)-thiazol-4...)Show InChI InChI=1S/C18H12N6S/c19-10-13-3-1-4-14(9-13)16-17(24-8-7-21-12-24)25-18(23-16)22-15-5-2-6-20-11-15/h1-9,11-12H,(H,22,23) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 92 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of luciferase production elicited by NECA by compound in CHO cells transfected with human adenosine A2b receptor and a luciferase expressi... |
Bioorg Med Chem Lett 15: 3081-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50166743
(3-[5-Imidazol-1-yl-2-(pyridin-3-ylamino)-thiazol-4...)Show InChI InChI=1S/C18H12N6S/c19-10-13-3-1-4-14(9-13)16-17(24-8-7-21-12-24)25-18(23-16)22-15-5-2-6-20-11-15/h1-9,11-12H,(H,22,23) | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 124 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Displacement of [125I]-AB-MECA from human adenosine A3 receptors transfected in CHO cells |
Bioorg Med Chem Lett 15: 3081-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50166741
(4-(3-cyanophenyl)-5-(1H-1,2,4-triazol-1-yl)-1,3-th...)Show SMILES [O-]C(=O)Nc1nc(c(s1)-n1cncn1)-c1cccc(c1)C#N Show InChI InChI=1S/C13H8N6O2S/c14-5-8-2-1-3-9(4-8)10-11(19-7-15-6-16-19)22-12(17-10)18-13(20)21/h1-4,6-7H,(H,17,18)(H,20,21)/p-1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 134 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Displacement of [125I]-AB-MECA from human adenosine A3 receptors transfected in CHO cells |
Bioorg Med Chem Lett 15: 3081-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50166735
(3-[5-(2-Methyl-imidazol-1-yl)-2-(pyrazin-2-ylamino...)Show SMILES Cc1nccn1-c1sc(Nc2cccc(C)n2)nc1-c1cccc(c1)C#N Show InChI InChI=1S/C20H16N6S/c1-13-5-3-8-17(23-13)24-20-25-18(16-7-4-6-15(11-16)12-21)19(27-20)26-10-9-22-14(26)2/h3-11H,1-2H3,(H,23,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 175 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Displacement of [3H]ZM-241,385 from human adenosine A2a receptors transfected in HEK 293 cells |
Bioorg Med Chem Lett 15: 3081-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50166735
(3-[5-(2-Methyl-imidazol-1-yl)-2-(pyrazin-2-ylamino...)Show SMILES Cc1nccn1-c1sc(Nc2cccc(C)n2)nc1-c1cccc(c1)C#N Show InChI InChI=1S/C20H16N6S/c1-13-5-3-8-17(23-13)24-20-25-18(16-7-4-6-15(11-16)12-21)19(27-20)26-10-9-22-14(26)2/h3-11H,1-2H3,(H,23,24,25) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 224 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptors transfected in CHO cells |
Bioorg Med Chem Lett 15: 3081-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50166745
(3-[2-(Pyridin-4-ylamino)-5-[1,2,4]triazol-1-yl-thi...)Show InChI InChI=1S/C17H11N7S/c18-9-12-2-1-3-13(8-12)15-16(24-11-20-10-21-24)25-17(23-15)22-14-4-6-19-7-5-14/h1-8,10-11H,(H,19,22,23) | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 304 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Displacement of [125I]-AB-MECA from human adenosine A3 receptors transfected in CHO cells |
Bioorg Med Chem Lett 15: 3081-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG |
More data for this Ligand-Target Pair | |
Adenosine receptor A2b
(Homo sapiens (Human)) | BDBM50166741
(4-(3-cyanophenyl)-5-(1H-1,2,4-triazol-1-yl)-1,3-th...)Show SMILES [O-]C(=O)Nc1nc(c(s1)-n1cncn1)-c1cccc(c1)C#N Show InChI InChI=1S/C13H8N6O2S/c14-5-8-2-1-3-9(4-8)10-11(19-7-15-6-16-19)22-12(17-10)18-13(20)21/h1-4,6-7H,(H,17,18)(H,20,21)/p-1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 365 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of luciferase production elicited by NECA by compound in CHO cells transfected with human adenosine A2b receptor and a luciferase expressi... |
Bioorg Med Chem Lett 15: 3081-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50166735
(3-[5-(2-Methyl-imidazol-1-yl)-2-(pyrazin-2-ylamino...)Show SMILES Cc1nccn1-c1sc(Nc2cccc(C)n2)nc1-c1cccc(c1)C#N Show InChI InChI=1S/C20H16N6S/c1-13-5-3-8-17(23-13)24-20-25-18(16-7-4-6-15(11-16)12-21)19(27-20)26-10-9-22-14(26)2/h3-11H,1-2H3,(H,23,24,25) | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 419 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Displacement of [125I]-AB-MECA from human adenosine A3 receptors transfected in CHO cells |
Bioorg Med Chem Lett 15: 3081-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50166743
(3-[5-Imidazol-1-yl-2-(pyridin-3-ylamino)-thiazol-4...)Show InChI InChI=1S/C18H12N6S/c19-10-13-3-1-4-14(9-13)16-17(24-8-7-21-12-24)25-18(23-16)22-15-5-2-6-20-11-15/h1-9,11-12H,(H,22,23) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 560 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptors transfected in CHO cells |
Bioorg Med Chem Lett 15: 3081-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG |
More data for this Ligand-Target Pair | |
Adenosine receptor A3
(Homo sapiens (Human)) | BDBM50166737
(3-[2-(Pyridin-3-ylamino)-5-[1,2,4]triazol-1-yl-thi...)Show InChI InChI=1S/C17H11N7S/c18-8-12-3-1-4-13(7-12)15-16(24-11-20-10-21-24)25-17(23-15)22-14-5-2-6-19-9-14/h1-7,9-11H,(H,22,23) | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 698 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Displacement of [125I]-AB-MECA from human adenosine A3 receptors transfected in CHO cells |
Bioorg Med Chem Lett 15: 3081-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50166737
(3-[2-(Pyridin-3-ylamino)-5-[1,2,4]triazol-1-yl-thi...)Show InChI InChI=1S/C17H11N7S/c18-8-12-3-1-4-13(7-12)15-16(24-11-20-10-21-24)25-17(23-15)22-14-5-2-6-19-9-14/h1-7,9-11H,(H,22,23) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.53E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptors transfected in CHO cells |
Bioorg Med Chem Lett 15: 3081-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50166739
(3-[2-(Pyridin-2-ylamino)-5-[1,2,4]triazol-1-yl-thi...)Show InChI InChI=1S/C17H11N7S/c18-9-12-4-3-5-13(8-12)15-16(24-11-19-10-21-24)25-17(23-15)22-14-6-1-2-7-20-14/h1-8,10-11H,(H,20,22,23) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.76E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptors transfected in CHO cells |
Bioorg Med Chem Lett 15: 3081-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50166739
(3-[2-(Pyridin-2-ylamino)-5-[1,2,4]triazol-1-yl-thi...)Show InChI InChI=1S/C17H11N7S/c18-9-12-4-3-5-13(8-12)15-16(24-11-19-10-21-24)25-17(23-15)22-14-6-1-2-7-20-14/h1-8,10-11H,(H,20,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Displacement of [3H]ZM-241,385 from human adenosine A2a receptors transfected in HEK 293 cells |
Bioorg Med Chem Lett 15: 3081-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50207120
(3-isobutyl-8-((6-methoxyisoquinolin-4-yl)methyl)-1...)Show SMILES COc1ccc2cncc(Cc3nc4n(CC(C)C)c(=O)n(C)c(=O)c4[nH]3)c2c1 Show InChI InChI=1S/C21H23N5O3/c1-12(2)11-26-19-18(20(27)25(3)21(26)28)23-17(24-19)7-14-10-22-9-13-5-6-15(29-4)8-16(13)14/h5-6,8-10,12H,7,11H2,1-4H3,(H,23,24) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes of Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of adenosine A1 receptor |
Bioorg Med Chem Lett 17: 2376-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.019 BindingDB Entry DOI: 10.7270/Q2X63NSC |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50166737
(3-[2-(Pyridin-3-ylamino)-5-[1,2,4]triazol-1-yl-thi...)Show InChI InChI=1S/C17H11N7S/c18-8-12-3-1-4-13(7-12)15-16(24-11-20-10-21-24)25-17(23-15)22-14-5-2-6-19-9-14/h1-7,9-11H,(H,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.57E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Displacement of [3H]ZM-241,385 from human adenosine A2a receptors transfected in HEK 293 cells |
Bioorg Med Chem Lett 15: 3081-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50166743
(3-[5-Imidazol-1-yl-2-(pyridin-3-ylamino)-thiazol-4...)Show InChI InChI=1S/C18H12N6S/c19-10-13-3-1-4-14(9-13)16-17(24-8-7-21-12-24)25-18(23-16)22-15-5-2-6-20-11-15/h1-9,11-12H,(H,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Displacement of [3H]ZM-241,385 from human adenosine A2a receptors transfected in HEK 293 cells |
Bioorg Med Chem Lett 15: 3081-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50166741
(4-(3-cyanophenyl)-5-(1H-1,2,4-triazol-1-yl)-1,3-th...)Show SMILES [O-]C(=O)Nc1nc(c(s1)-n1cncn1)-c1cccc(c1)C#N Show InChI InChI=1S/C13H8N6O2S/c14-5-8-2-1-3-9(4-8)10-11(19-7-15-6-16-19)22-12(17-10)18-13(20)21/h1-4,6-7H,(H,17,18)(H,20,21)/p-1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 2.84E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptors transfected in CHO cells |
Bioorg Med Chem Lett 15: 3081-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50166745
(3-[2-(Pyridin-4-ylamino)-5-[1,2,4]triazol-1-yl-thi...)Show InChI InChI=1S/C17H11N7S/c18-9-12-2-1-3-13(8-12)15-16(24-11-20-10-21-24)25-17(23-15)22-14-4-6-19-7-5-14/h1-8,10-11H,(H,19,22,23) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.78E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptors transfected in CHO cells |
Bioorg Med Chem Lett 15: 3081-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50166745
(3-[2-(Pyridin-4-ylamino)-5-[1,2,4]triazol-1-yl-thi...)Show InChI InChI=1S/C17H11N7S/c18-9-12-2-1-3-13(8-12)15-16(24-11-20-10-21-24)25-17(23-15)22-14-4-6-19-7-5-14/h1-8,10-11H,(H,19,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Displacement of [3H]ZM-241,385 from human adenosine A2a receptors transfected in HEK 293 cells |
Bioorg Med Chem Lett 15: 3081-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50166741
(4-(3-cyanophenyl)-5-(1H-1,2,4-triazol-1-yl)-1,3-th...)Show SMILES [O-]C(=O)Nc1nc(c(s1)-n1cncn1)-c1cccc(c1)C#N Show InChI InChI=1S/C13H8N6O2S/c14-5-8-2-1-3-9(4-8)10-11(19-7-15-6-16-19)22-12(17-10)18-13(20)21/h1-4,6-7H,(H,17,18)(H,20,21)/p-1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 5.61E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Displacement of [3H]ZM-241,385 from human adenosine A2a receptors transfected in HEK 293 cells |
Bioorg Med Chem Lett 15: 3081-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG |
More data for this Ligand-Target Pair | |
Adenosine receptor A1
(Homo sapiens (Human)) | BDBM50166742
(3-[2-(3-Methyl-pyridin-2-ylamino)-5-[1,2,4]triazol...)Show SMILES Cc1cccc(Nc2nc(c(s2)-n2cncn2)-c2cccc(c2)C#N)n1 Show InChI InChI=1S/C18H13N7S/c1-12-4-2-7-15(22-12)23-18-24-16(14-6-3-5-13(8-14)9-19)17(26-18)25-11-20-10-21-25/h2-8,10-11H,1H3,(H,22,23,24) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Displacement of [3H]DPCPX from human adenosine A1 receptors transfected in CHO cells |
Bioorg Med Chem Lett 15: 3081-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG |
More data for this Ligand-Target Pair | |
Adenosine receptor A2a
(Homo sapiens (Human)) | BDBM50166742
(3-[2-(3-Methyl-pyridin-2-ylamino)-5-[1,2,4]triazol...)Show SMILES Cc1cccc(Nc2nc(c(s2)-n2cncn2)-c2cccc(c2)C#N)n1 Show InChI InChI=1S/C18H13N7S/c1-12-4-2-7-15(22-12)23-18-24-16(14-6-3-5-13(8-14)9-19)17(26-18)25-11-20-10-21-25/h2-8,10-11H,1H3,(H,22,23,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Displacement of [3H]ZM-241,385 from human adenosine A2a receptors transfected in HEK 293 cells |
Bioorg Med Chem Lett 15: 3081-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.021 BindingDB Entry DOI: 10.7270/Q2X63NQG |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50108504
(4-(8-(benzo[c][1,2,5]oxadiazol-5-yl)-1,7-naphthyri...)Show SMILES OC(=O)c1ccc(cc1)-c1cc2cccnc2c(n1)-c1ccc2nonc2c1 Show InChI InChI=1S/C21H12N4O3/c26-21(27)13-5-3-12(4-6-13)17-10-14-2-1-9-22-19(14)20(23-17)15-7-8-16-18(11-15)25-28-24-16/h1-11H,(H,26,27) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of human PDE4D |
J Med Chem 55: 7472-9 (2012)
Article DOI: 10.1021/jm300459a BindingDB Entry DOI: 10.7270/Q2RN390V |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50108504
(4-(8-(benzo[c][1,2,5]oxadiazol-5-yl)-1,7-naphthyri...)Show SMILES OC(=O)c1ccc(cc1)-c1cc2cccnc2c(n1)-c1ccc2nonc2c1 Show InChI InChI=1S/C21H12N4O3/c26-21(27)13-5-3-12(4-6-13)17-10-14-2-1-9-22-19(14)20(23-17)15-7-8-16-18(11-15)25-28-24-16/h1-11H,(H,26,27) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of human PDE4D |
J Med Chem 58: 6747-52 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00902 BindingDB Entry DOI: 10.7270/Q2319XPF |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50207130
(8-((6,7-dimethoxy-1-methylisoquinolin-4-yl)methyl)...)Show SMILES COc1cc2c(C)ncc(Cc3nc4n(CC(C)C)c(=O)n(C)c(=O)c4[nH]3)c2cc1OC Show InChI InChI=1S/C23H27N5O4/c1-12(2)11-28-21-20(22(29)27(4)23(28)30)25-19(26-21)7-14-10-24-13(3)15-8-17(31-5)18(32-6)9-16(14)15/h8-10,12H,7,11H2,1-6H3,(H,25,26) | 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 |
Novartis Institutes of Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of human platelet PDE5 by [3H]cGMP scintillation proximity assay |
Bioorg Med Chem Lett 17: 2376-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.019 BindingDB Entry DOI: 10.7270/Q2X63NSC |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50207120
(3-isobutyl-8-((6-methoxyisoquinolin-4-yl)methyl)-1...)Show SMILES COc1ccc2cncc(Cc3nc4n(CC(C)C)c(=O)n(C)c(=O)c4[nH]3)c2c1 Show InChI InChI=1S/C21H23N5O3/c1-12(2)11-26-19-18(20(27)25(3)21(26)28)23-17(24-19)7-14-10-22-9-13-5-6-15(29-4)8-16(13)14/h5-6,8-10,12H,7,11H2,1-4H3,(H,23,24) | 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 |
Novartis Institutes of Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of human platelet PDE5 by [3H]cGMP scintillation proximity assay |
Bioorg Med Chem Lett 17: 2376-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.019 BindingDB Entry DOI: 10.7270/Q2X63NSC |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50117734
(8-{5-[4-(2-Hydroxy-ethyl)-piperidine-1-sulfonyl]-2...)Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCC(CCO)CC1 Show InChI InChI=1S/C26H37N5O6S/c1-5-14-37-21-7-6-19(38(35,36)30-11-8-18(9-12-30)10-13-32)15-20(21)23-27-22-24(28-23)31(16-17(2)3)26(34)29(4)25(22)33/h6-7,15,17-18,32H,5,8-14,16H2,1-4H3,(H,27,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this Ligand-Target Pair | |
P04972/P11541/P16586/P22571/P23439/Q95142
(Bos taurus-Bos taurus (Bovine)) | BDBM50117721
(3-Isobutyl-1-methyl-8-[5-(piperazin-1-ylmethanesul...)Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(CC)CC1 Show InChI InChI=1S/C25H36N6O5S/c1-6-14-36-20-9-8-18(37(34,35)30-12-10-29(7-2)11-13-30)15-19(20)22-26-21-23(27-22)31(16-17(3)4)25(33)28(5)24(21)32/h8-9,15,17H,6-7,10-14,16H2,1-5H3,(H,26,27) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description Inhibitory concentration against bovine retina phosphodiesterase 6 activity |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50113973
(CHEMBL3605513)Show InChI InChI=1S/C19H16N4O/c20-13-14-3-1-4-15(11-14)19-18-16(5-2-6-21-18)12-17(22-19)23-7-9-24-10-8-23/h1-6,11-12H,7-10H2 | PDB
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 |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of human PDE4D |
J Med Chem 58: 6747-52 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00902 BindingDB Entry DOI: 10.7270/Q2319XPF |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50117719
(4-[3-(3-Isobutyl-1-methyl-2,6-dioxo-2,3,6,7-tetrah...)Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(CC1)C(=O)N(C)C Show InChI InChI=1S/C26H37N7O6S/c1-7-14-39-20-9-8-18(40(37,38)32-12-10-31(11-13-32)25(35)29(4)5)15-19(20)22-27-21-23(28-22)33(16-17(2)3)26(36)30(6)24(21)34/h8-9,15,17H,7,10-14,16H2,1-6H3,(H,27,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50117711
(8-{5-[4-(2-Hydroxy-ethyl)-piperazine-1-sulfonyl]-2...)Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(CCO)CC1 Show InChI InChI=1S/C25H36N6O6S/c1-5-14-37-20-7-6-18(38(35,36)30-10-8-29(9-11-30)12-13-32)15-19(20)22-26-21-23(27-22)31(16-17(2)3)25(34)28(4)24(21)33/h6-7,15,17,32H,5,8-14,16H2,1-4H3,(H,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50117724
(3-(3-Isobutyl-1-methyl-2,6-dioxo-2,3,6,7-tetrahydr...)Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(N)(=O)=O Show InChI InChI=1S/C19H25N5O5S/c1-5-8-29-14-7-6-12(30(20,27)28)9-13(14)16-21-15-17(22-16)24(10-11(2)3)19(26)23(4)18(15)25/h6-7,9,11H,5,8,10H2,1-4H3,(H,21,22)(H2,20,27,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50207121
(CHEMBL245648 | N-(4-((8-((6,7-dimethoxyisoquinolin...)Show SMILES COc1cc2cncc(Cc3nc4n(Cc5ccc(NS(=O)(=O)C(C)C)cc5)c(=O)n(C)c(=O)c4[nH]3)c2cc1OC Show InChI InChI=1S/C28H30N6O6S/c1-16(2)41(37,38)32-20-8-6-17(7-9-20)15-34-26-25(27(35)33(3)28(34)36)30-24(31-26)11-19-14-29-13-18-10-22(39-4)23(40-5)12-21(18)19/h6-10,12-14,16,32H,11,15H2,1-5H3,(H,30,31) | 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 | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes of Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of human platelet PDE5 by [3H]cGMP scintillation proximity assay |
Bioorg Med Chem Lett 17: 2376-9 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.019 BindingDB Entry DOI: 10.7270/Q2X63NSC |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50117721
(3-Isobutyl-1-methyl-8-[5-(piperazin-1-ylmethanesul...)Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(CC)CC1 Show InChI InChI=1S/C25H36N6O5S/c1-6-14-36-20-9-8-18(37(34,35)30-12-10-29(7-2)11-13-30)15-19(20)22-26-21-23(27-22)31(16-17(3)4)25(33)28(5)24(21)32/h8-9,15,17H,6-7,10-14,16H2,1-5H3,(H,26,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this Ligand-Target Pair | |