Found 65 hits Enz. Inhib. hit(s) with all data for entry = 50049271 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 |
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B
(Homo sapiens (Human)) | BDBM50150119
(CHEMBL3769414)Show SMILES [H][C@@]12CCC[C@]1([H])N1C(=N2)N(C)C(=O)c2c(Nc3ccccc3)n(Cc3ccc(cc3)-c3cccc(F)n3)nc12 |r,c:9| Show InChI InChI=1S/C29H26FN7O/c1-35-28(38)25-26(31-20-7-3-2-4-8-20)36(34-27(25)37-23-11-5-10-22(23)33-29(35)37)17-18-13-15-19(16-14-18)21-9-6-12-24(30)32-21/h2-4,6-9,12-16,22-23,31H,5,10-11,17H2,1H3/t22-,23+/m1/s1 | PDB MMDB
Reactome pathway 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 | 0.0580 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of PDE1B (unknown origin) |
J Med Chem 60: 3472-3483 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B
(Homo sapiens (Human)) | BDBM289647
(11,11-Difluoro-6-(4-methoxybenzyl)-9-((tetrahydro-...)Show SMILES COc1ccc(Cn2c3sc4CN(CC5CCOCC5)CC(F)(F)c4c3c3ncnn3c2=O)cc1 Show InChI InChI=1S/C24H25F2N5O3S/c1-33-17-4-2-15(3-5-17)11-30-22-19(21-27-14-28-31(21)23(30)32)20-18(35-22)12-29(13-24(20,25)26)10-16-6-8-34-9-7-16/h2-5,14,16H,6-13H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibitory activity against chymotrypsinogen; Range 1-10 uM |
J Med Chem 60: 3472-3483 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3 |
More data for this Ligand-Target Pair | |
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B
(Homo sapiens (Human)) | BDBM289671
(9-(2,2-Difluorocyclopropanecarbonyl)-6-(4-methoxyb...)Show SMILES COc1ccc(Cn2c3sc4CN(CCc4c3c3ncnn3c2=O)C(=O)C2CC2(F)F)cc1 Show InChI InChI=1S/C22H19F2N5O3S/c1-32-13-4-2-12(3-5-13)9-28-20-17(18-25-11-26-29(18)21(28)31)14-6-7-27(10-16(14)33-20)19(30)15-8-22(15,23)24/h2-5,11,15H,6-10H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of full length GST-tagged PDE1B (unknown origin) assessed as decrease in FAM-cAMP hydrolysis preincubated for 5 mins followed by FAM-cAMP ... |
J Med Chem 60: 3472-3483 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3 |
More data for this Ligand-Target Pair | |
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B
(Homo sapiens (Human)) | BDBM289653
(6-(2-Fluoro-4-methoxybenzyl)-9-((tetrahydro-2H-pyr...)Show SMILES COc1ccc(Cn2c3sc4CN(CC5CCOCC5)CCc4c3c3ncnn3c2=O)c(F)c1 Show InChI InChI=1S/C24H26FN5O3S/c1-32-17-3-2-16(19(25)10-17)12-29-23-21(22-26-14-27-30(22)24(29)31)18-4-7-28(13-20(18)34-23)11-15-5-8-33-9-6-15/h2-3,10,14-15H,4-9,11-13H2,1H3 | 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 |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of full length GST-tagged PDE1B (unknown origin) assessed as decrease in FAM-cAMP hydrolysis preincubated for 5 mins followed by FAM-cAMP ... |
J Med Chem 60: 3472-3483 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3 |
More data for this Ligand-Target Pair | |
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B
(Homo sapiens (Human)) | BDBM289621
(6-(4-Methoxybenzyl)-9-((tetrahydro-2H-pyran-4-yl)m...)Show SMILES COc1ccc(Cn2c3sc4CN(CC5CCOCC5)CCc4c3c3ncnn3c2=O)cc1 Show InChI InChI=1S/C24H27N5O3S/c1-31-18-4-2-16(3-5-18)13-28-23-21(22-25-15-26-29(22)24(28)30)19-6-9-27(14-20(19)33-23)12-17-7-10-32-11-8-17/h2-5,15,17H,6-14H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of full length GST-tagged PDE1B (unknown origin) assessed as decrease in FAM-cAMP hydrolysis preincubated for 5 mins followed by FAM-cAMP ... |
J Med Chem 60: 3472-3483 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B
(Homo sapiens (Human)) | BDBM289641
(6-(4-Chloro-2-fluorobenzyl)-9-((tetrahydro-2H-pyra...)Show SMILES Fc1cc(Cl)ccc1Cn1c2sc3CN(CC4CCOCC4)CCc3c2c2ncnn2c1=O Show InChI InChI=1S/C23H23ClFN5O2S/c24-16-2-1-15(18(25)9-16)11-29-22-20(21-26-13-27-30(21)23(29)31)17-3-6-28(12-19(17)33-22)10-14-4-7-32-8-5-14/h1-2,9,13-14H,3-8,10-12H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of full length GST-tagged PDE1B (unknown origin) assessed as decrease in FAM-cAMP hydrolysis preincubated for 5 mins followed by FAM-cAMP ... |
J Med Chem 60: 3472-3483 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50059033
((11aS,11bS)-11a-Ethyl-2,3,4,5,11a,11b-hexahydro-1H...)Show SMILES CCOC(=O)C1=C[C@]2(CC)CCCN3CCc4c([C@H]23)n1c1ccccc41 |t:5| Show InChI InChI=1S/C22H26N2O2/c1-3-22-11-7-12-23-13-10-16-15-8-5-6-9-17(15)24(19(16)20(22)23)18(14-22)21(25)26-4-2/h5-6,8-9,14,20H,3-4,7,10-13H2,1-2H3/t20-,22+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
J Med Chem 60: 3472-3483 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3 |
More data for this Ligand-Target Pair | |
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B
(Homo sapiens (Human)) | BDBM289617
(6-(4-Chlorobenzyl)-9-((tetrahydro-2H-pyran-4-yl)me...)Show SMILES Clc1ccc(Cn2c3sc4CN(CC5CCOCC5)CCc4c3c3ncnn3c2=O)cc1 Show InChI InChI=1S/C23H24ClN5O2S/c24-17-3-1-15(2-4-17)12-28-22-20(21-25-14-26-29(21)23(28)30)18-5-8-27(13-19(18)32-22)11-16-6-9-31-10-7-16/h1-4,14,16H,5-13H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibitory activity against chymotrypsinogen; Range 1-10 uM |
J Med Chem 60: 3472-3483 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3 |
More data for this Ligand-Target Pair | |
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B
(Homo sapiens (Human)) | BDBM50059026
(5'-Methyl-2'-(biphenylmethyl)-3'-(phenylmethyl)spi...)Show SMILES CN1C2=NC3(CCCC3)CN2c2nc(Cc3ccc(cc3)-c3ccccc3)n(Cc3ccccc3)c2C1=O |t:2| Show InChI InChI=1S/C32H31N5O/c1-35-30(38)28-29(37-22-32(34-31(35)37)18-8-9-19-32)33-27(36(28)21-24-10-4-2-5-11-24)20-23-14-16-26(17-15-23)25-12-6-3-7-13-25/h2-7,10-17H,8-9,18-22H2,1H3 | 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 | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of full length GST-tagged PDE1B (unknown origin) assessed as decrease in FAM-cAMP hydrolysis preincubated for 5 mins followed by FAM-cAMP ... |
J Med Chem 60: 3472-3483 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3 |
More data for this Ligand-Target Pair | |
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B
(Homo sapiens (Human)) | BDBM289669
(6-(4-Chlorobenzyl)-9-(cyclopropanecarbonyl)-8,9,10...)Show SMILES Clc1ccc(Cn2c3sc4CN(CCc4c3c3ncnn3c2=O)C(=O)C2CC2)cc1 Show InChI InChI=1S/C21H18ClN5O2S/c22-14-5-1-12(2-6-14)9-26-20-17(18-23-11-24-27(18)21(26)29)15-7-8-25(10-16(15)30-20)19(28)13-3-4-13/h1-2,5-6,11,13H,3-4,7-10H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of full length GST-tagged PDE1B (unknown origin) assessed as decrease in FAM-cAMP hydrolysis preincubated for 5 mins followed by FAM-cAMP ... |
J Med Chem 60: 3472-3483 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3 |
More data for this Ligand-Target Pair | |
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
(Homo sapiens (Human)) | BDBM289671
(9-(2,2-Difluorocyclopropanecarbonyl)-6-(4-methoxyb...)Show SMILES COc1ccc(Cn2c3sc4CN(CCc4c3c3ncnn3c2=O)C(=O)C2CC2(F)F)cc1 Show InChI InChI=1S/C22H19F2N5O3S/c1-32-13-4-2-12(3-5-13)9-28-20-17(18-25-11-26-29(18)21(28)31)14-6-7-27(10-16(14)33-20)19(30)15-8-22(15,23)24/h2-5,11,15H,6-10H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of Cyclin-dependent kinase 2 cyclin A |
J Med Chem 60: 3472-3483 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3 |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50237791
(CHEMBL1628659 | SCH-51866)Show SMILES [H][C@@]12CCC[C@]1([H])N1C(=N2)N(C)C(=O)c2[nH]c(Cc3ccc(cc3)C(F)(F)F)nc12 |r,c:9| Show InChI InChI=1S/C19H18F3N5O/c1-26-17(28)15-16(27-13-4-2-3-12(13)23-18(26)27)25-14(24-15)9-10-5-7-11(8-6-10)19(20,21)22/h5-8,12-13H,2-4,9H2,1H3,(H,24,25)/t12-,13+/m1/s1 | 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 | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against recombinant human calpain 1 |
J Med Chem 60: 3472-3483 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM289613
(6-(4-Chlorobenzyl)-9-methyl-8,9,10,11-tetrahydropy...)Show SMILES CN1CCc2c(C1)sc1n(Cc3ccc(Cl)cc3)c(=O)n3ncnc3c21 Show InChI InChI=1S/C18H16ClN5OS/c1-22-7-6-13-14(9-22)26-17-15(13)16-20-10-21-24(16)18(25)23(17)8-11-2-4-12(19)5-3-11/h2-5,10H,6-9H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
J Med Chem 60: 3472-3483 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3 |
More data for this Ligand-Target Pair | |
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B
(Homo sapiens (Human)) | BDBM50237799
(CHEMBL4069196)Show SMILES O=c1n(Cc2ccccc2)c2sc3CN(CC4CCOCC4)CCc3c2c2ncnn12 Show InChI InChI=1S/C23H25N5O2S/c29-23-27(13-16-4-2-1-3-5-16)22-20(21-24-15-25-28(21)23)18-6-9-26(14-19(18)31-22)12-17-7-10-30-11-8-17/h1-5,15,17H,6-14H2 | 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 | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Binding affinity to human sphingosine 1-phosphate receptor 2 expressed in CHO cells was determined by using [33P]-S1P as radioligand |
J Med Chem 60: 3472-3483 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3 |
More data for this Ligand-Target Pair | |
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B
(Homo sapiens (Human)) | BDBM289618
(6-(4-Chlorobenzyl)-9-(oxetan-3-yl)-8,9,10,11-tetra...)Show SMILES Clc1ccc(Cn2c3sc4CN(CCc4c3c3ncnn3c2=O)C2COC2)cc1 Show InChI InChI=1S/C20H18ClN5O2S/c21-13-3-1-12(2-4-13)7-25-19-17(18-22-11-23-26(18)20(25)27)15-5-6-24(8-16(15)29-19)14-9-28-10-14/h1-4,11,14H,5-10H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of full length GST-tagged PDE1B (unknown origin) assessed as decrease in FAM-cAMP hydrolysis preincubated for 5 mins followed by FAM-cAMP ... |
J Med Chem 60: 3472-3483 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM289615
(6-(4-Chlorobenzyl)-9-(cyclopropylmethyl)-8,9,10,11...)Show SMILES Clc1ccc(Cn2c3sc4CN(CC5CC5)CCc4c3c3ncnn3c2=O)cc1 Show InChI InChI=1S/C21H20ClN5OS/c22-15-5-3-14(4-6-15)10-26-20-18(19-23-12-24-27(19)21(26)28)16-7-8-25(9-13-1-2-13)11-17(16)29-20/h3-6,12-13H,1-2,7-11H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
J Med Chem 60: 3472-3483 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3 |
More data for this Ligand-Target Pair | |
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B
(Homo sapiens (Human)) | BDBM289614
(6-(4-Chlorobenzyl)-9-benzyl-8,9,10,11-tetrahydropy...)Show SMILES Clc1ccc(Cn2c3sc4CN(Cc5ccccc5)CCc4c3c3ncnn3c2=O)cc1 Show InChI InChI=1S/C24H20ClN5OS/c25-18-8-6-17(7-9-18)13-29-23-21(22-26-15-27-30(22)24(29)31)19-10-11-28(14-20(19)32-23)12-16-4-2-1-3-5-16/h1-9,15H,10-14H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of full length GST-tagged PDE1B (unknown origin) assessed as decrease in FAM-cAMP hydrolysis preincubated for 5 mins followed by FAM-cAMP ... |
J Med Chem 60: 3472-3483 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3 |
More data for this Ligand-Target Pair | |
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B
(Homo sapiens (Human)) | BDBM289615
(6-(4-Chlorobenzyl)-9-(cyclopropylmethyl)-8,9,10,11...)Show SMILES Clc1ccc(Cn2c3sc4CN(CC5CC5)CCc4c3c3ncnn3c2=O)cc1 Show InChI InChI=1S/C21H20ClN5OS/c22-15-5-3-14(4-6-15)10-26-20-18(19-23-12-24-27(19)21(26)28)16-7-8-25(9-13-1-2-13)11-17(16)29-20/h3-6,12-13H,1-2,7-11H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of full length GST-tagged PDE1B (unknown origin) assessed as decrease in FAM-cAMP hydrolysis preincubated for 5 mins followed by FAM-cAMP ... |
J Med Chem 60: 3472-3483 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3 |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM289653
(6-(2-Fluoro-4-methoxybenzyl)-9-((tetrahydro-2H-pyr...)Show SMILES COc1ccc(Cn2c3sc4CN(CC5CCOCC5)CCc4c3c3ncnn3c2=O)c(F)c1 Show InChI InChI=1S/C24H26FN5O3S/c1-32-17-3-2-16(19(25)10-17)12-29-23-21(22-26-14-27-30(22)24(29)31)18-4-7-28(13-20(18)34-23)11-15-5-8-33-9-6-15/h2-3,10,14-15H,4-9,11-13H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST-tagged full length recombinant human PDE5A1 expressed in Baculovirus infected Sf9 insect cells assessed as decrease in F... |
J Med Chem 60: 3472-3483 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3 |
More data for this Ligand-Target Pair | |
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A
(Homo sapiens (Human)) | BDBM289653
(6-(2-Fluoro-4-methoxybenzyl)-9-((tetrahydro-2H-pyr...)Show SMILES COc1ccc(Cn2c3sc4CN(CC5CCOCC5)CCc4c3c3ncnn3c2=O)c(F)c1 Show InChI InChI=1S/C24H26FN5O3S/c1-32-17-3-2-16(19(25)10-17)12-29-23-21(22-26-14-27-30(22)24(29)31)18-4-7-28(13-20(18)34-23)11-15-5-8-33-9-6-15/h2-3,10,14-15H,4-9,11-13H2,1H3 | KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST-tagged full length recombinant human PDE11A4 expressed in Baculovirus infected Sf9 insect cells assessed as decrease in ... |
J Med Chem 60: 3472-3483 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM289617
(6-(4-Chlorobenzyl)-9-((tetrahydro-2H-pyran-4-yl)me...)Show SMILES Clc1ccc(Cn2c3sc4CN(CC5CCOCC5)CCc4c3c3ncnn3c2=O)cc1 Show InChI InChI=1S/C23H24ClN5O2S/c24-17-3-1-15(2-4-17)12-28-22-20(21-25-14-26-29(21)23(28)30)18-5-8-27(13-19(18)32-22)11-16-6-9-31-10-7-16/h1-4,14,16H,5-13H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of Cyclin-dependent kinase 2 cyclin A |
J Med Chem 60: 3472-3483 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3 |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM292797
(US10105367, Example 82 | US10376514, Example 82)Show InChI InChI=1S/C18H15ClN4OS/c19-12-7-5-11(6-8-12)9-22-17-15(13-3-1-2-4-14(13)25-17)16-20-10-21-23(16)18(22)24/h5-8,10H,1-4,9H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST-tagged full length recombinant human PDE5A1 expressed in Baculovirus infected Sf9 insect cells assessed as decrease in F... |
J Med Chem 60: 3472-3483 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3 |
More data for this Ligand-Target Pair | |
Cone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha'
(Homo sapiens (Human)) | BDBM292797
(US10105367, Example 82 | US10376514, Example 82)Show InChI InChI=1S/C18H15ClN4OS/c19-12-7-5-11(6-8-12)9-22-17-15(13-3-1-2-4-14(13)25-17)16-20-10-21-23(16)18(22)24/h5-8,10H,1-4,9H2 | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST-tagged full length recombinant human PDE6C expressed in Baculovirus infected Sf9 insect cells |
J Med Chem 60: 3472-3483 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3 |
More data for this Ligand-Target Pair | |
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B
(Homo sapiens (Human)) | BDBM292797
(US10105367, Example 82 | US10376514, Example 82)Show InChI InChI=1S/C18H15ClN4OS/c19-12-7-5-11(6-8-12)9-22-17-15(13-3-1-2-4-14(13)25-17)16-20-10-21-23(16)18(22)24/h5-8,10H,1-4,9H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of full length GST-tagged PDE1B (unknown origin) assessed as decrease in FAM-cAMP hydrolysis preincubated for 5 mins followed by FAM-cAMP ... |
J Med Chem 60: 3472-3483 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM289669
(6-(4-Chlorobenzyl)-9-(cyclopropanecarbonyl)-8,9,10...)Show SMILES Clc1ccc(Cn2c3sc4CN(CCc4c3c3ncnn3c2=O)C(=O)C2CC2)cc1 Show InChI InChI=1S/C21H18ClN5O2S/c22-14-5-1-12(2-6-14)9-26-20-17(18-23-11-24-27(18)21(26)29)15-7-8-25(10-16(15)30-20)19(28)13-3-4-13/h1-2,5-6,11,13H,3-4,7-10H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 490 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of Cyclin-dependent kinase 2 cyclin A |
J Med Chem 60: 3472-3483 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM289614
(6-(4-Chlorobenzyl)-9-benzyl-8,9,10,11-tetrahydropy...)Show SMILES Clc1ccc(Cn2c3sc4CN(Cc5ccccc5)CCc4c3c3ncnn3c2=O)cc1 Show InChI InChI=1S/C24H20ClN5OS/c25-18-8-6-17(7-9-18)13-29-23-21(22-26-15-27-30(22)24(29)31)19-10-11-28(14-20(19)32-23)12-16-4-2-1-3-5-16/h1-9,15H,10-14H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 490 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
J Med Chem 60: 3472-3483 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50237799
(CHEMBL4069196)Show SMILES O=c1n(Cc2ccccc2)c2sc3CN(CC4CCOCC4)CCc3c2c2ncnn12 Show InChI InChI=1S/C23H25N5O2S/c29-23-27(13-16-4-2-1-3-5-16)22-20(21-24-15-25-28(21)23)18-6-9-26(14-19(18)31-22)12-17-7-10-30-11-8-17/h1-5,15,17H,6-14H2 | 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 | 570 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
J Med Chem 60: 3472-3483 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM289641
(6-(4-Chloro-2-fluorobenzyl)-9-((tetrahydro-2H-pyra...)Show SMILES Fc1cc(Cl)ccc1Cn1c2sc3CN(CC4CCOCC4)CCc3c2c2ncnn2c1=O Show InChI InChI=1S/C23H23ClFN5O2S/c24-16-2-1-15(18(25)9-16)11-29-22-20(21-26-13-27-30(21)23(29)31)17-3-6-28(12-19(17)33-22)10-14-4-7-32-8-5-14/h1-2,9,13-14H,3-8,10-12H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 610 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of Cyclin-dependent kinase 2 cyclin A |
J Med Chem 60: 3472-3483 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3 |
More data for this Ligand-Target Pair | |
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
(Homo sapiens (Human)) | BDBM289653
(6-(2-Fluoro-4-methoxybenzyl)-9-((tetrahydro-2H-pyr...)Show SMILES COc1ccc(Cn2c3sc4CN(CC5CCOCC5)CCc4c3c3ncnn3c2=O)c(F)c1 Show InChI InChI=1S/C24H26FN5O3S/c1-32-17-3-2-16(19(25)10-17)12-29-23-21(22-26-14-27-30(22)24(29)31)18-4-7-28(13-20(18)34-23)11-15-5-8-33-9-6-15/h2-3,10,14-15H,4-9,11-13H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 690 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligand |
J Med Chem 60: 3472-3483 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM289618
(6-(4-Chlorobenzyl)-9-(oxetan-3-yl)-8,9,10,11-tetra...)Show SMILES Clc1ccc(Cn2c3sc4CN(CCc4c3c3ncnn3c2=O)C2COC2)cc1 Show InChI InChI=1S/C20H18ClN5O2S/c21-13-3-1-12(2-4-13)7-25-19-17(18-22-11-23-26(18)20(25)27)15-5-6-24(8-16(15)29-19)14-9-28-10-14/h1-4,11,14H,5-10H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 980 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Binding affinity to human sphingosine 1-phosphate receptor 5 expressed in CHO cells was determined by using [33P]-S1P as radioligand |
J Med Chem 60: 3472-3483 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3 |
More data for this Ligand-Target Pair | |
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B
(Homo sapiens (Human)) | BDBM289613
(6-(4-Chlorobenzyl)-9-methyl-8,9,10,11-tetrahydropy...)Show SMILES CN1CCc2c(C1)sc1n(Cc3ccc(Cl)cc3)c(=O)n3ncnc3c21 Show InChI InChI=1S/C18H16ClN5OS/c1-22-7-6-13-14(9-22)26-17-15(13)16-20-10-21-24(16)18(25)23(17)8-11-2-4-12(19)5-3-11/h2-5,10H,6-9H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against recombinant human calpain 1 |
J Med Chem 60: 3472-3483 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3 |
More data for this Ligand-Target Pair | |
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
(Homo sapiens (Human)) | BDBM289669
(6-(4-Chlorobenzyl)-9-(cyclopropanecarbonyl)-8,9,10...)Show SMILES Clc1ccc(Cn2c3sc4CN(CCc4c3c3ncnn3c2=O)C(=O)C2CC2)cc1 Show InChI InChI=1S/C21H18ClN5O2S/c22-14-5-1-12(2-6-14)9-26-20-17(18-23-11-24-27(18)21(26)29)15-7-8-25(10-16(15)30-20)19(28)13-3-4-13/h1-2,5-6,11,13H,3-4,7-10H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of PDE10A1 (unknown origin) assessed as decrease in FAM-cAMP hydrolysis after 1 hr by IMAP assay |
J Med Chem 60: 3472-3483 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3 |
More data for this Ligand-Target Pair | |
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
(Homo sapiens (Human)) | BDBM289621
(6-(4-Methoxybenzyl)-9-((tetrahydro-2H-pyran-4-yl)m...)Show SMILES COc1ccc(Cn2c3sc4CN(CC5CCOCC5)CCc4c3c3ncnn3c2=O)cc1 Show InChI InChI=1S/C24H27N5O3S/c1-31-18-4-2-16(3-5-18)13-28-23-21(22-25-15-26-29(22)24(28)30)19-6-9-27(14-20(19)33-23)12-17-7-10-32-11-8-17/h2-5,15,17H,6-14H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Affinity towards human 5-hydroxytryptamine 3 serotonin receptor |
J Med Chem 60: 3472-3483 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3 |
More data for this Ligand-Target Pair | |
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
(Homo sapiens (Human)) | BDBM289647
(11,11-Difluoro-6-(4-methoxybenzyl)-9-((tetrahydro-...)Show SMILES COc1ccc(Cn2c3sc4CN(CC5CCOCC5)CC(F)(F)c4c3c3ncnn3c2=O)cc1 Show InChI InChI=1S/C24H25F2N5O3S/c1-33-17-4-2-15(3-5-17)11-30-22-19(21-27-14-28-31(21)23(30)32)20-18(35-22)12-29(13-24(20,25)26)10-16-6-8-34-9-7-16/h2-5,14,16H,6-13H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of PDE10A1 (unknown origin) assessed as decrease in FAM-cAMP hydrolysis after 1 hr by IMAP assay |
J Med Chem 60: 3472-3483 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM289621
(6-(4-Methoxybenzyl)-9-((tetrahydro-2H-pyran-4-yl)m...)Show SMILES COc1ccc(Cn2c3sc4CN(CC5CCOCC5)CCc4c3c3ncnn3c2=O)cc1 Show InChI InChI=1S/C24H27N5O3S/c1-31-18-4-2-16(3-5-18)13-28-23-21(22-25-15-26-29(22)24(28)30)19-6-9-27(14-20(19)33-23)12-17-7-10-32-11-8-17/h2-5,15,17H,6-14H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibitory activity against chymotrypsinogen; Range 1-10 uM |
J Med Chem 60: 3472-3483 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3 |
More data for this Ligand-Target Pair | |
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A
(Homo sapiens (Human)) | BDBM292797
(US10105367, Example 82 | US10376514, Example 82)Show InChI InChI=1S/C18H15ClN4OS/c19-12-7-5-11(6-8-12)9-22-17-15(13-3-1-2-4-14(13)25-17)16-20-10-21-23(16)18(22)24/h5-8,10H,1-4,9H2 | KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST-tagged full length recombinant human PDE11A4 expressed in Baculovirus infected Sf9 insect cells assessed as decrease in ... |
J Med Chem 60: 3472-3483 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM289653
(6-(2-Fluoro-4-methoxybenzyl)-9-((tetrahydro-2H-pyr...)Show SMILES COc1ccc(Cn2c3sc4CN(CC5CCOCC5)CCc4c3c3ncnn3c2=O)c(F)c1 Show InChI InChI=1S/C24H26FN5O3S/c1-32-17-3-2-16(19(25)10-17)12-29-23-21(22-26-14-27-30(22)24(29)31)18-4-7-28(13-20(18)34-23)11-15-5-8-33-9-6-15/h2-3,10,14-15H,4-9,11-13H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
J Med Chem 60: 3472-3483 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3 |
More data for this Ligand-Target Pair | |
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
(Homo sapiens (Human)) | BDBM292797
(US10105367, Example 82 | US10376514, Example 82)Show InChI InChI=1S/C18H15ClN4OS/c19-12-7-5-11(6-8-12)9-22-17-15(13-3-1-2-4-14(13)25-17)16-20-10-21-23(16)18(22)24/h5-8,10H,1-4,9H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Binding affinity to human Sphingosine 1-phosphate receptor 1 expressed in CHO cells was determined by using [33P]-S1P as radioligand |
J Med Chem 60: 3472-3483 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3 |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM292797
(US10105367, Example 82 | US10376514, Example 82)Show InChI InChI=1S/C18H15ClN4OS/c19-12-7-5-11(6-8-12)9-22-17-15(13-3-1-2-4-14(13)25-17)16-20-10-21-23(16)18(22)24/h5-8,10H,1-4,9H2 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of PDE4D3 (unknown origin) assessed as decrease in FAM-cAMP hydrolysis preincubated for 5 mins followed by FAM-cAMP addition measured afte... |
J Med Chem 60: 3472-3483 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3 |
More data for this Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM292797
(US10105367, Example 82 | US10376514, Example 82)Show InChI InChI=1S/C18H15ClN4OS/c19-12-7-5-11(6-8-12)9-22-17-15(13-3-1-2-4-14(13)25-17)16-20-10-21-23(16)18(22)24/h5-8,10H,1-4,9H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of PDE2A1 (unknown origin) assessed as decrease in FAM-cAMP hydrolysis preincubated for 5 mins followed by FAM-cAMP addition measured afte... |
J Med Chem 60: 3472-3483 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM289671
(9-(2,2-Difluorocyclopropanecarbonyl)-6-(4-methoxyb...)Show SMILES COc1ccc(Cn2c3sc4CN(CCc4c3c3ncnn3c2=O)C(=O)C2CC2(F)F)cc1 Show InChI InChI=1S/C22H19F2N5O3S/c1-32-13-4-2-12(3-5-13)9-28-20-17(18-25-11-26-29(18)21(28)31)14-6-7-27(10-16(14)33-20)19(30)15-8-22(15,23)24/h2-5,11,15H,6-10H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 4.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
J Med Chem 60: 3472-3483 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM292797
(US10105367, Example 82 | US10376514, Example 82)Show InChI InChI=1S/C18H15ClN4OS/c19-12-7-5-11(6-8-12)9-22-17-15(13-3-1-2-4-14(13)25-17)16-20-10-21-23(16)18(22)24/h5-8,10H,1-4,9H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | 6.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
J Med Chem 60: 3472-3483 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3 |
More data for this Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM289653
(6-(2-Fluoro-4-methoxybenzyl)-9-((tetrahydro-2H-pyr...)Show SMILES COc1ccc(Cn2c3sc4CN(CC5CCOCC5)CCc4c3c3ncnn3c2=O)c(F)c1 Show InChI InChI=1S/C24H26FN5O3S/c1-32-17-3-2-16(19(25)10-17)12-29-23-21(22-26-14-27-30(22)24(29)31)18-4-7-28(13-20(18)34-23)11-15-5-8-33-9-6-15/h2-3,10,14-15H,4-9,11-13H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Binding affinity to human sphingosine 1-phosphate receptor 2 expressed in CHO cells was determined by using [33P]-S1P as radioligand |
J Med Chem 60: 3472-3483 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3 |
More data for this Ligand-Target Pair | |
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A
(Homo sapiens (Human)) | BDBM289653
(6-(2-Fluoro-4-methoxybenzyl)-9-((tetrahydro-2H-pyr...)Show SMILES COc1ccc(Cn2c3sc4CN(CC5CCOCC5)CCc4c3c3ncnn3c2=O)c(F)c1 Show InChI InChI=1S/C24H26FN5O3S/c1-32-17-3-2-16(19(25)10-17)12-29-23-21(22-26-14-27-30(22)24(29)31)18-4-7-28(13-20(18)34-23)11-15-5-8-33-9-6-15/h2-3,10,14-15H,4-9,11-13H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 8.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST-tagged full length recombinant human PDE8A1 expressed in Baculovirus infected Sf9 insect cells assessed as decrease in F... |
J Med Chem 60: 3472-3483 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3 |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM289647
(11,11-Difluoro-6-(4-methoxybenzyl)-9-((tetrahydro-...)Show SMILES COc1ccc(Cn2c3sc4CN(CC5CCOCC5)CC(F)(F)c4c3c3ncnn3c2=O)cc1 Show InChI InChI=1S/C24H25F2N5O3S/c1-33-17-4-2-15(3-5-17)11-30-22-19(21-27-14-28-31(21)23(30)32)20-18(35-22)12-29(13-24(20,25)26)10-16-6-8-34-9-7-16/h2-5,14,16H,6-13H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 9.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Binding affinity to human sphingosine 1-phosphate receptor 2 expressed in CHO cells was determined by using [33P]-S1P as radioligand |
J Med Chem 60: 3472-3483 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3 |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM289653
(6-(2-Fluoro-4-methoxybenzyl)-9-((tetrahydro-2H-pyr...)Show SMILES COc1ccc(Cn2c3sc4CN(CC5CCOCC5)CCc4c3c3ncnn3c2=O)c(F)c1 Show InChI InChI=1S/C24H26FN5O3S/c1-32-17-3-2-16(19(25)10-17)12-29-23-21(22-26-14-27-30(22)24(29)31)18-4-7-28(13-20(18)34-23)11-15-5-8-33-9-6-15/h2-3,10,14-15H,4-9,11-13H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 9.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of PDE4D3 (unknown origin) assessed as decrease in FAM-cAMP hydrolysis preincubated for 5 mins followed by FAM-cAMP addition measured afte... |
J Med Chem 60: 3472-3483 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3 |
More data for this Ligand-Target Pair | |
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A
(Homo sapiens (Human)) | BDBM292797
(US10105367, Example 82 | US10376514, Example 82)Show InChI InChI=1S/C18H15ClN4OS/c19-12-7-5-11(6-8-12)9-22-17-15(13-3-1-2-4-14(13)25-17)16-20-10-21-23(16)18(22)24/h5-8,10H,1-4,9H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of PDE3A (unknown origin) assessed as decrease in FAM-cAMP hydrolysis preincubated for 5 mins followed by FAM-cAMP addition measured after... |
J Med Chem 60: 3472-3483 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3 |
More data for this Ligand-Target Pair | |
Cone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha'
(Homo sapiens (Human)) | BDBM289653
(6-(2-Fluoro-4-methoxybenzyl)-9-((tetrahydro-2H-pyr...)Show SMILES COc1ccc(Cn2c3sc4CN(CC5CCOCC5)CCc4c3c3ncnn3c2=O)c(F)c1 Show InChI InChI=1S/C24H26FN5O3S/c1-32-17-3-2-16(19(25)10-17)12-29-23-21(22-26-14-27-30(22)24(29)31)18-4-7-28(13-20(18)34-23)11-15-5-8-33-9-6-15/h2-3,10,14-15H,4-9,11-13H2,1H3 | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Binding affinity to human sphingosine 1-phosphate receptor 2 expressed in CHO cells was determined by using [33P]-S1P as radioligand |
J Med Chem 60: 3472-3483 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3 |
More data for this Ligand-Target Pair | |
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
(Homo sapiens (Human)) | BDBM289613
(6-(4-Chlorobenzyl)-9-methyl-8,9,10,11-tetrahydropy...)Show SMILES CN1CCc2c(C1)sc1n(Cc3ccc(Cl)cc3)c(=O)n3ncnc3c21 Show InChI InChI=1S/C18H16ClN5OS/c1-22-7-6-13-14(9-22)26-17-15(13)16-20-10-21-24(16)18(25)23(17)8-11-2-4-12(19)5-3-11/h2-5,10H,6-9H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of PDE10A1 (unknown origin) assessed as decrease in FAM-cAMP hydrolysis after 1 hr by IMAP assay |
J Med Chem 60: 3472-3483 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3 |
More data for this Ligand-Target Pair | |
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A
(Homo sapiens (Human)) | BDBM292797
(US10105367, Example 82 | US10376514, Example 82)Show InChI InChI=1S/C18H15ClN4OS/c19-12-7-5-11(6-8-12)9-22-17-15(13-3-1-2-4-14(13)25-17)16-20-10-21-23(16)18(22)24/h5-8,10H,1-4,9H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Dart Neuroscience LLC
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST-tagged full length recombinant human PDE8A1 expressed in Baculovirus infected Sf9 insect cells assessed as decrease in F... |
J Med Chem 60: 3472-3483 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3 |
More data for this Ligand-Target Pair | |