Found 119 hits with Last Name = 'seebeck' and Initial = 't' 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 |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50148238
(CHEMBL3765037)Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(OCCCCOc2ccc(cc2)-n2ccnc2)c1 |r,c:3,9| Show InChI InChI=1S/C35H42N4O4/c1-41-32-19-14-26(34-30-12-6-7-13-31(30)35(40)39(37-34)28-10-4-2-3-5-11-28)24-33(32)43-23-9-8-22-42-29-17-15-27(16-18-29)38-21-20-36-25-38/h6-7,14-21,24-25,28,30-31H,2-5,8-13,22-23H2,1H3/t30-,31+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Mercachem
Curated by ChEMBL
| Assay Description Inhibition of full length human recombinant PDE4B1 using [3H]-cAMP as substrate by scintillation proximity assay |
Bioorg Med Chem 24: 1573-81 (2016)
Article DOI: 10.1016/j.bmc.2016.02.032 BindingDB Entry DOI: 10.7270/Q22V2J07 |
More data for this Ligand-Target Pair | |
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A
(Homo sapiens (Human)) | BDBM86219
(CAS_5537 | NSC_5537 | Trequinsin)Show SMILES COc1cc2CCn3c(cc(=Nc4c(C)cc(C)cc4C)n(C)c3=O)-c2cc1OC |w:11.11| Show InChI InChI=1S/C24H27N3O3/c1-14-9-15(2)23(16(3)10-14)25-22-13-19-18-12-21(30-6)20(29-5)11-17(18)7-8-27(19)24(28)26(22)4/h9-13H,7-8H2,1-6H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
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PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | 7.5 | 24 |
University of North Carolina
| Assay Description Enzymatic activities were assayed using [3H] cAMP and [3H]cGMP as substrate. |
J Biol Chem 287: 11788-97 (2012)
Article DOI: 10.1074/jbc.M111.326777 BindingDB Entry DOI: 10.7270/Q2K9364D |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50148240
(CHEMBL3763271)Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(OCCCCOc2ccc(cc2)C(O)=O)c1 |r,c:3,9| Show InChI InChI=1S/C33H40N2O6/c1-39-29-19-16-24(22-30(29)41-21-9-8-20-40-26-17-14-23(15-18-26)33(37)38)31-27-12-6-7-13-28(27)32(36)35(34-31)25-10-4-2-3-5-11-25/h6-7,14-19,22,25,27-28H,2-5,8-13,20-21H2,1H3,(H,37,38)/t27-,28+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.316 | n/a | n/a | n/a | n/a | n/a | n/a |
Mercachem
Curated by ChEMBL
| Assay Description Inhibition of full length human recombinant PDE4B1 using [3H]-cAMP as substrate by scintillation proximity assay |
Bioorg Med Chem 24: 1573-81 (2016)
Article DOI: 10.1016/j.bmc.2016.02.032 BindingDB Entry DOI: 10.7270/Q22V2J07 |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50427452
(CHEMBL2326941)Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nnn[nH]1)C1=NN(C2CCCCCC2)C(=O)[C@@H]2CC=CC[C@H]12 |r,c:43,t:28| Show InChI InChI=1S/C33H40N6O4/c1-41-29-19-16-24(31-27-12-6-7-13-28(27)33(40)39(36-31)25-10-4-2-3-5-11-25)22-30(29)43-21-9-8-20-42-26-17-14-23(15-18-26)32-34-37-38-35-32/h6-7,14-19,22,25,27-28H,2-5,8-13,20-21H2,1H3,(H,34,35,37,38)/t27-,28+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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Similars
| PDB Article PubMed
| n/a | n/a | 0.501 | n/a | n/a | n/a | n/a | n/a | n/a |
Mercachem
Curated by ChEMBL
| Assay Description Inhibition of full length human recombinant PDE4B2 using [3H]-cAMP as substrate by scintillation proximity assay |
Bioorg Med Chem 24: 1573-81 (2016)
Article DOI: 10.1016/j.bmc.2016.02.032 BindingDB Entry DOI: 10.7270/Q22V2J07 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50148195
(CHEMBL3765188)Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(OCCCCOc2ccc(cc2)-c2nnn(C)n2)c1 |r,c:3,9| Show InChI InChI=1S/C34H42N6O4/c1-39-37-33(35-38-39)24-15-18-27(19-16-24)43-21-9-10-22-44-31-23-25(17-20-30(31)42-2)32-28-13-7-8-14-29(28)34(41)40(36-32)26-11-5-3-4-6-12-26/h7-8,15-20,23,26,28-29H,3-6,9-14,21-22H2,1-2H3/t28-,29+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.501 | n/a | n/a | n/a | n/a | n/a | n/a |
Mercachem
Curated by ChEMBL
| Assay Description Inhibition of full length human recombinant PDE4B1 using [3H]-cAMP as substrate by scintillation proximity assay |
Bioorg Med Chem 24: 1573-81 (2016)
Article DOI: 10.1016/j.bmc.2016.02.032 BindingDB Entry DOI: 10.7270/Q22V2J07 |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50148194
(CHEMBL3763456)Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(OC)c1 |r,c:3,9| Show InChI InChI=1S/C23H30N2O3/c1-27-20-14-13-16(15-21(20)28-2)22-18-11-7-8-12-19(18)23(26)25(24-22)17-9-5-3-4-6-10-17/h7-8,13-15,17-19H,3-6,9-12H2,1-2H3/t18-,19+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.631 | n/a | n/a | n/a | n/a | n/a | n/a |
Mercachem
Curated by ChEMBL
| Assay Description Inhibition of full length human recombinant PDE4B1 using [3H]-cAMP as substrate by scintillation proximity assay |
Bioorg Med Chem 24: 1573-81 (2016)
Article DOI: 10.1016/j.bmc.2016.02.032 BindingDB Entry DOI: 10.7270/Q22V2J07 |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50427452
(CHEMBL2326941)Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nnn[nH]1)C1=NN(C2CCCCCC2)C(=O)[C@@H]2CC=CC[C@H]12 |r,c:43,t:28| Show InChI InChI=1S/C33H40N6O4/c1-41-29-19-16-24(31-27-12-6-7-13-28(27)33(40)39(36-31)25-10-4-2-3-5-11-25)22-30(29)43-21-9-8-20-42-26-17-14-23(15-18-26)32-34-37-38-35-32/h6-7,14-19,22,25,27-28H,2-5,8-13,20-21H2,1H3,(H,34,35,37,38)/t27-,28+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 0.631 | n/a | n/a | n/a | n/a | n/a | n/a |
Mercachem
Curated by ChEMBL
| Assay Description Inhibition of full length human recombinant PDE4B1 using [3H]-cAMP as substrate by scintillation proximity assay |
Bioorg Med Chem 24: 1573-81 (2016)
Article DOI: 10.1016/j.bmc.2016.02.032 BindingDB Entry DOI: 10.7270/Q22V2J07 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50427452
(CHEMBL2326941)Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nnn[nH]1)C1=NN(C2CCCCCC2)C(=O)[C@@H]2CC=CC[C@H]12 |r,c:43,t:28| Show InChI InChI=1S/C33H40N6O4/c1-41-29-19-16-24(31-27-12-6-7-13-28(27)33(40)39(36-31)25-10-4-2-3-5-11-25)22-30(29)43-21-9-8-20-42-26-17-14-23(15-18-26)32-34-37-38-35-32/h6-7,14-19,22,25,27-28H,2-5,8-13,20-21H2,1H3,(H,34,35,37,38)/t27-,28+/m0/s1 | PDB
KEGG
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Similars
| PDB Article PubMed
| n/a | n/a | 0.631 | n/a | n/a | n/a | n/a | n/a | n/a |
Mercachem
Curated by ChEMBL
| Assay Description Inhibition of full length human recombinant PDE4D3 using [3H]-cAMP as substrate by scintillation proximity assay |
Bioorg Med Chem 24: 1573-81 (2016)
Article DOI: 10.1016/j.bmc.2016.02.032 BindingDB Entry DOI: 10.7270/Q22V2J07 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50148237
(CHEMBL3763233)Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(OCCCCOc2ccc(cc2)-c2nnnn2C)c1 |r,c:3,9| Show InChI InChI=1S/C34H42N6O4/c1-39-33(35-37-38-39)24-15-18-27(19-16-24)43-21-9-10-22-44-31-23-25(17-20-30(31)42-2)32-28-13-7-8-14-29(28)34(41)40(36-32)26-11-5-3-4-6-12-26/h7-8,15-20,23,26,28-29H,3-6,9-14,21-22H2,1-2H3/t28-,29+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.631 | n/a | n/a | n/a | n/a | n/a | n/a |
Mercachem
Curated by ChEMBL
| Assay Description Inhibition of full length human recombinant PDE4B1 using [3H]-cAMP as substrate by scintillation proximity assay |
Bioorg Med Chem 24: 1573-81 (2016)
Article DOI: 10.1016/j.bmc.2016.02.032 BindingDB Entry DOI: 10.7270/Q22V2J07 |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50397078
(CHEMBL2171452)Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nnn[nH]1)C1=NN(C2CCCCCC2)C(=O)C1(C)C |t:28| Show InChI InChI=1S/C30H38N6O4/c1-30(2)27(33-36(29(30)37)23-10-6-4-5-7-11-23)22-14-17-25(38-3)26(20-22)40-19-9-8-18-39-24-15-12-21(13-16-24)28-31-34-35-32-28/h12-17,20,23H,4-11,18-19H2,1-3H3,(H,31,32,34,35) | PDB
KEGG
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Similars
| PDB Article PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
VU University Amsterdam
Curated by ChEMBL
| Assay Description Inhibition of human PDE4D3 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation proximity assay |
J Med Chem 55: 8745-56 (2012)
Article DOI: 10.1021/jm301059b BindingDB Entry DOI: 10.7270/Q2SF2X96 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50148239
(CHEMBL3764370)Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(OCCCCn2cnc3ncncc23)c1 |r,c:3,9| Show InChI InChI=1S/C31H38N6O3/c1-39-27-15-14-22(18-28(27)40-17-9-8-16-36-21-34-30-26(36)19-32-20-33-30)29-24-12-6-7-13-25(24)31(38)37(35-29)23-10-4-2-3-5-11-23/h6-7,14-15,18-21,23-25H,2-5,8-13,16-17H2,1H3/t24-,25+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Mercachem
Curated by ChEMBL
| Assay Description Inhibition of full length human recombinant PDE4B1 using [3H]-cAMP as substrate by scintillation proximity assay |
Bioorg Med Chem 24: 1573-81 (2016)
Article DOI: 10.1016/j.bmc.2016.02.032 BindingDB Entry DOI: 10.7270/Q22V2J07 |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50397078
(CHEMBL2171452)Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nnn[nH]1)C1=NN(C2CCCCCC2)C(=O)C1(C)C |t:28| Show InChI InChI=1S/C30H38N6O4/c1-30(2)27(33-36(29(30)37)23-10-6-4-5-7-11-23)22-14-17-25(38-3)26(20-22)40-19-9-8-18-39-24-15-12-21(13-16-24)28-31-34-35-32-28/h12-17,20,23H,4-11,18-19H2,1-3H3,(H,31,32,34,35) | PDB MMDB
KEGG
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CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
VU University Amsterdam
Curated by ChEMBL
| Assay Description Inhibition of human PDE4A1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation proximity assay |
J Med Chem 55: 8745-56 (2012)
Article DOI: 10.1021/jm301059b BindingDB Entry DOI: 10.7270/Q2SF2X96 |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM14390
(5-[2-ethoxy-5-(4-methyl-1-piperazinylsulfonyl)phen...)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | 7.5 | 24 |
University of North Carolina
| Assay Description Enzymatic activities were assayed using [3H] cAMP and [3H]cGMP as substrate. |
J Biol Chem 287: 11788-97 (2012)
Article DOI: 10.1074/jbc.M111.326777 BindingDB Entry DOI: 10.7270/Q2K9364D |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM92338
(Wyq16#)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)NC(=O)OC(C)C Show InChI InChI=1S/C21H27N5O6S/c1-6-8-15-17-18(26(5)24-15)20(27)23-19(22-17)14-11-13(9-10-16(14)31-7-2)33(29,30)25-21(28)32-12(3)4/h9-12H,6-8H2,1-5H3,(H,25,28)(H,22,23,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | 7.5 | 24 |
University of North Carolina
| Assay Description Enzymatic activities were assayed using [3H] cAMP and [3H]cGMP as substrate. |
J Biol Chem 287: 11788-97 (2012)
Article DOI: 10.1074/jbc.M111.326777 BindingDB Entry DOI: 10.7270/Q2K9364D |
More data for this Ligand-Target Pair | |
Phosphodiesterase
(Trypanosoma brucei) | BDBM50148195
(CHEMBL3765188)Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(OCCCCOc2ccc(cc2)-c2nnn(C)n2)c1 |r,c:3,9| Show InChI InChI=1S/C34H42N6O4/c1-39-37-33(35-38-39)24-15-18-27(19-16-24)43-21-9-10-22-44-31-23-25(17-20-30(31)42-2)32-28-13-7-8-14-29(28)34(41)40(36-32)26-11-5-3-4-6-12-26/h7-8,15-20,23,26,28-29H,3-6,9-14,21-22H2,1-2H3/t28-,29+/m0/s1 | PDB
UniProtKB/TrEMBL
B.MOAD 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 |
Mercachem
Curated by ChEMBL
| Assay Description Inhibition of recombinant Trypanosoma brucei PDEB1 using [3H]-cAMP as substrate after 15 mins by scintillation proximity assay |
Bioorg Med Chem 24: 1573-81 (2016)
Article DOI: 10.1016/j.bmc.2016.02.032 BindingDB Entry DOI: 10.7270/Q22V2J07 |
More data for this Ligand-Target Pair | |
Phosphodiesterase
(Trypanosoma brucei) | BDBM50427452
(CHEMBL2326941)Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nnn[nH]1)C1=NN(C2CCCCCC2)C(=O)[C@@H]2CC=CC[C@H]12 |r,c:43,t:28| Show InChI InChI=1S/C33H40N6O4/c1-41-29-19-16-24(31-27-12-6-7-13-28(27)33(40)39(36-31)25-10-4-2-3-5-11-25)22-30(29)43-21-9-8-20-42-26-17-14-23(15-18-26)32-34-37-38-35-32/h6-7,14-19,22,25,27-28H,2-5,8-13,20-21H2,1H3,(H,34,35,37,38)/t27-,28+/m0/s1 | PDB
UniProtKB/TrEMBL
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CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
VU University Amsterdam
Curated by ChEMBL
| Assay Description Inhibition of Trypanosoma brucei full length PDEB1 expressed in insect SF21 cells using cAMP as substrate by scintillation proximity assay |
J Med Chem 56: 2087-96 (2013)
Article DOI: 10.1021/jm3017877 BindingDB Entry DOI: 10.7270/Q2319X7M |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phosphodiesterase
(Trypanosoma brucei) | BDBM50427452
(CHEMBL2326941)Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nnn[nH]1)C1=NN(C2CCCCCC2)C(=O)[C@@H]2CC=CC[C@H]12 |r,c:43,t:28| Show InChI InChI=1S/C33H40N6O4/c1-41-29-19-16-24(31-27-12-6-7-13-28(27)33(40)39(36-31)25-10-4-2-3-5-11-25)22-30(29)43-21-9-8-20-42-26-17-14-23(15-18-26)32-34-37-38-35-32/h6-7,14-19,22,25,27-28H,2-5,8-13,20-21H2,1H3,(H,34,35,37,38)/t27-,28+/m0/s1 | PDB
UniProtKB/TrEMBL
B.MOAD GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Mercachem
Curated by ChEMBL
| Assay Description Inhibition of recombinant Trypanosoma brucei PDEB1 using [3H]-cAMP as substrate after 15 mins by scintillation proximity assay |
Bioorg Med Chem 24: 1573-81 (2016)
Article DOI: 10.1016/j.bmc.2016.02.032 BindingDB Entry DOI: 10.7270/Q22V2J07 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phosphodiesterase
(Trypanosoma brucei) | BDBM50427452
(CHEMBL2326941)Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nnn[nH]1)C1=NN(C2CCCCCC2)C(=O)[C@@H]2CC=CC[C@H]12 |r,c:43,t:28| Show InChI InChI=1S/C33H40N6O4/c1-41-29-19-16-24(31-27-12-6-7-13-28(27)33(40)39(36-31)25-10-4-2-3-5-11-25)22-30(29)43-21-9-8-20-42-26-17-14-23(15-18-26)32-34-37-38-35-32/h6-7,14-19,22,25,27-28H,2-5,8-13,20-21H2,1H3,(H,34,35,37,38)/t27-,28+/m0/s1 | PDB
UniProtKB/TrEMBL
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Mercachem
Curated by ChEMBL
| Assay Description Inhibition of recombinant Trypanosoma brucei PDEB1 using [3H]-cAMP as substrate after 15 mins by scintillation proximity assay |
Bioorg Med Chem 24: 1573-81 (2016)
Article DOI: 10.1016/j.bmc.2016.02.032 BindingDB Entry DOI: 10.7270/Q22V2J07 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phosphodiesterase
(Trypanosoma brucei) | BDBM50397108
(CHEMBL85005)Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nnn[nH]1)C1=NN(C2CCCCCC2)C(=O)C2CC=CCC12 |c:43,t:28| Show InChI InChI=1S/C33H40N6O4/c1-41-29-19-16-24(31-27-12-6-7-13-28(27)33(40)39(36-31)25-10-4-2-3-5-11-25)22-30(29)43-21-9-8-20-42-26-17-14-23(15-18-26)32-34-37-38-35-32/h6-7,14-19,22,25,27-28H,2-5,8-13,20-21H2,1H3,(H,34,35,37,38) | PDB
UniProtKB/TrEMBL
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VU University Amsterdam
Curated by ChEMBL
| Assay Description Inhibition of Trypanosoma brucei TbrPDEB1 |
J Med Chem 55: 8745-56 (2012)
Article DOI: 10.1021/jm301059b BindingDB Entry DOI: 10.7270/Q2SF2X96 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50397078
(CHEMBL2171452)Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nnn[nH]1)C1=NN(C2CCCCCC2)C(=O)C1(C)C |t:28| Show InChI InChI=1S/C30H38N6O4/c1-30(2)27(33-36(29(30)37)23-10-6-4-5-7-11-23)22-14-17-25(38-3)26(20-22)40-19-9-8-18-39-24-15-12-21(13-16-24)28-31-34-35-32-28/h12-17,20,23H,4-11,18-19H2,1-3H3,(H,31,32,34,35) | PDB
UniProtKB/SwissProt
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VU University Amsterdam
Curated by ChEMBL
| Assay Description Inhibition of human PDE4B1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation proximity assay |
J Med Chem 55: 8745-56 (2012)
Article DOI: 10.1021/jm301059b BindingDB Entry DOI: 10.7270/Q2SF2X96 |
More data for this Ligand-Target Pair | |
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A
(Homo sapiens (Human)) | BDBM15297
(CHEMBL34431 | Cilostamide | N-Cyclohexyl-N-methyl-...)Show InChI InChI=1S/C20H26N2O3/c1-22(16-6-3-2-4-7-16)20(24)8-5-13-25-17-10-11-18-15(14-17)9-12-19(23)21-18/h9-12,14,16H,2-8,13H2,1H3,(H,21,23) | PDB
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University of North Carolina
| Assay Description Enzymatic activities were assayed using [3H] cAMP and [3H]cGMP as substrate. |
J Biol Chem 287: 11788-97 (2012)
Article DOI: 10.1074/jbc.M111.326777 BindingDB Entry DOI: 10.7270/Q2K9364D |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4C
(Homo sapiens (Human)) | BDBM50397078
(CHEMBL2171452)Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nnn[nH]1)C1=NN(C2CCCCCC2)C(=O)C1(C)C |t:28| Show InChI InChI=1S/C30H38N6O4/c1-30(2)27(33-36(29(30)37)23-10-6-4-5-7-11-23)22-14-17-25(38-3)26(20-22)40-19-9-8-18-39-24-15-12-21(13-16-24)28-31-34-35-32-28/h12-17,20,23H,4-11,18-19H2,1-3H3,(H,31,32,34,35) | PDB
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VU University Amsterdam
Curated by ChEMBL
| Assay Description Inhibition of human PDE4C1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation proximity assay |
J Med Chem 55: 8745-56 (2012)
Article DOI: 10.1021/jm301059b BindingDB Entry DOI: 10.7270/Q2SF2X96 |
More data for this Ligand-Target Pair | |
Phosphodiesterase
(Trypanosoma brucei) | BDBM50148237
(CHEMBL3763233)Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(OCCCCOc2ccc(cc2)-c2nnnn2C)c1 |r,c:3,9| Show InChI InChI=1S/C34H42N6O4/c1-39-33(35-37-38-39)24-15-18-27(19-16-24)43-21-9-10-22-44-31-23-25(17-20-30(31)42-2)32-28-13-7-8-14-29(28)34(41)40(36-32)26-11-5-3-4-6-12-26/h7-8,15-20,23,26,28-29H,3-6,9-14,21-22H2,1-2H3/t28-,29+/m0/s1 | PDB
UniProtKB/TrEMBL
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Mercachem
Curated by ChEMBL
| Assay Description Inhibition of recombinant Trypanosoma brucei PDEB1 using [3H]-cAMP as substrate after 15 mins by scintillation proximity assay |
Bioorg Med Chem 24: 1573-81 (2016)
Article DOI: 10.1016/j.bmc.2016.02.032 BindingDB Entry DOI: 10.7270/Q22V2J07 |
More data for this Ligand-Target Pair | |
Phosphodiesterase
(Trypanosoma brucei) | BDBM50148238
(CHEMBL3765037)Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(OCCCCOc2ccc(cc2)-n2ccnc2)c1 |r,c:3,9| Show InChI InChI=1S/C35H42N4O4/c1-41-32-19-14-26(34-30-12-6-7-13-31(30)35(40)39(37-34)28-10-4-2-3-5-11-28)24-33(32)43-23-9-8-22-42-29-17-15-27(16-18-29)38-21-20-36-25-38/h6-7,14-21,24-25,28,30-31H,2-5,8-13,22-23H2,1H3/t30-,31+/m0/s1 | PDB
UniProtKB/TrEMBL
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Mercachem
Curated by ChEMBL
| Assay Description Inhibition of recombinant Trypanosoma brucei PDEB1 using [3H]-cAMP as substrate after 15 mins by scintillation proximity assay |
Bioorg Med Chem 24: 1573-81 (2016)
Article DOI: 10.1016/j.bmc.2016.02.032 BindingDB Entry DOI: 10.7270/Q22V2J07 |
More data for this Ligand-Target Pair | |
Phosphodiesterase
(Trypanosoma brucei) | BDBM50148239
(CHEMBL3764370)Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(OCCCCn2cnc3ncncc23)c1 |r,c:3,9| Show InChI InChI=1S/C31H38N6O3/c1-39-27-15-14-22(18-28(27)40-17-9-8-16-36-21-34-30-26(36)19-32-20-33-30)29-24-12-6-7-13-25(24)31(38)37(35-29)23-10-4-2-3-5-11-23/h6-7,14-15,18-21,23-25H,2-5,8-13,16-17H2,1H3/t24-,25+/m0/s1 | PDB
UniProtKB/TrEMBL
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Mercachem
Curated by ChEMBL
| Assay Description Inhibition of recombinant Trypanosoma brucei PDEB1 using [3H]-cAMP as substrate after 15 mins by scintillation proximity assay |
Bioorg Med Chem 24: 1573-81 (2016)
Article DOI: 10.1016/j.bmc.2016.02.032 BindingDB Entry DOI: 10.7270/Q22V2J07 |
More data for this Ligand-Target Pair | |
Phosphodiesterase
(Trypanosoma brucei) | BDBM50397078
(CHEMBL2171452)Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nnn[nH]1)C1=NN(C2CCCCCC2)C(=O)C1(C)C |t:28| Show InChI InChI=1S/C30H38N6O4/c1-30(2)27(33-36(29(30)37)23-10-6-4-5-7-11-23)22-14-17-25(38-3)26(20-22)40-19-9-8-18-39-24-15-12-21(13-16-24)28-31-34-35-32-28/h12-17,20,23H,4-11,18-19H2,1-3H3,(H,31,32,34,35) | PDB
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VU University Amsterdam
Curated by ChEMBL
| Assay Description Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p... |
J Med Chem 55: 8745-56 (2012)
Article DOI: 10.1021/jm301059b BindingDB Entry DOI: 10.7270/Q2SF2X96 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phosphodiesterase
(Trypanosoma brucei) | BDBM50397078
(CHEMBL2171452)Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nnn[nH]1)C1=NN(C2CCCCCC2)C(=O)C1(C)C |t:28| Show InChI InChI=1S/C30H38N6O4/c1-30(2)27(33-36(29(30)37)23-10-6-4-5-7-11-23)22-14-17-25(38-3)26(20-22)40-19-9-8-18-39-24-15-12-21(13-16-24)28-31-34-35-32-28/h12-17,20,23H,4-11,18-19H2,1-3H3,(H,31,32,34,35) | PDB
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VU University Amsterdam
Curated by ChEMBL
| Assay Description Inhibition of Trypanosoma brucei His-tagged catalytic domains of TbrPDEB1 expressed in Escherichia coli BL21 assessed as conversion of cAMP to AMP af... |
J Med Chem 55: 8745-56 (2012)
Article DOI: 10.1021/jm301059b BindingDB Entry DOI: 10.7270/Q2SF2X96 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phosphodiesterase
(Trypanosoma brucei) | BDBM50148254
(CHEMBL3765606)Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(OCCc2ccc(cc2)N(C)C)c1 |r,c:3,9| Show InChI InChI=1S/C32H41N3O3/c1-34(2)25-17-14-23(15-18-25)20-21-38-30-22-24(16-19-29(30)37-3)31-27-12-8-9-13-28(27)32(36)35(33-31)26-10-6-4-5-7-11-26/h8-9,14-19,22,26-28H,4-7,10-13,20-21H2,1-3H3/t27-,28+/m0/s1 | PDB
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Mercachem
Curated by ChEMBL
| Assay Description Inhibition of recombinant Trypanosoma brucei PDEB1 using [3H]-cAMP as substrate after 15 mins by scintillation proximity assay |
Bioorg Med Chem 24: 1573-81 (2016)
Article DOI: 10.1016/j.bmc.2016.02.032 BindingDB Entry DOI: 10.7270/Q22V2J07 |
More data for this Ligand-Target Pair | |
Phosphodiesterase
(Trypanosoma brucei) | BDBM50148247
(CHEMBL3765010)Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(OCCCCCc2ccccc2)c1 |r,c:3,9| Show InChI InChI=1S/C33H42N2O3/c1-37-30-22-21-26(24-31(30)38-23-13-5-8-16-25-14-6-4-7-15-25)32-28-19-11-12-20-29(28)33(36)35(34-32)27-17-9-2-3-10-18-27/h4,6-7,11-12,14-15,21-22,24,27-29H,2-3,5,8-10,13,16-20,23H2,1H3/t28-,29+/m0/s1 | PDB
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Mercachem
Curated by ChEMBL
| Assay Description Inhibition of recombinant Trypanosoma brucei PDEB1 using [3H]-cAMP as substrate after 15 mins by scintillation proximity assay |
Bioorg Med Chem 24: 1573-81 (2016)
Article DOI: 10.1016/j.bmc.2016.02.032 BindingDB Entry DOI: 10.7270/Q22V2J07 |
More data for this Ligand-Target Pair | |
Phosphodiesterase
(Trypanosoma brucei) | BDBM50148255
(CHEMBL3765786)Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(OCCc2ccc(OC)cc2)c1 |r,c:3,9| Show InChI InChI=1S/C31H38N2O4/c1-35-25-16-13-22(14-17-25)19-20-37-29-21-23(15-18-28(29)36-2)30-26-11-7-8-12-27(26)31(34)33(32-30)24-9-5-3-4-6-10-24/h7-8,13-18,21,24,26-27H,3-6,9-12,19-20H2,1-2H3/t26-,27+/m0/s1 | PDB
UniProtKB/TrEMBL
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| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
Mercachem
Curated by ChEMBL
| Assay Description Inhibition of recombinant Trypanosoma brucei PDEB1 using [3H]-cAMP as substrate after 15 mins by scintillation proximity assay |
Bioorg Med Chem 24: 1573-81 (2016)
Article DOI: 10.1016/j.bmc.2016.02.032 BindingDB Entry DOI: 10.7270/Q22V2J07 |
More data for this Ligand-Target Pair | |
Phosphodiesterase
(Trypanosoma brucei) | BDBM50148250
(CHEMBL3765222)Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(OCc2cccc(OC)c2OC)c1 |r,c:3,9| Show InChI InChI=1S/C31H38N2O5/c1-35-26-18-17-21(19-28(26)38-20-22-11-10-16-27(36-2)30(22)37-3)29-24-14-8-9-15-25(24)31(34)33(32-29)23-12-6-4-5-7-13-23/h8-11,16-19,23-25H,4-7,12-15,20H2,1-3H3/t24-,25+/m0/s1 | PDB
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Mercachem
Curated by ChEMBL
| Assay Description Inhibition of recombinant Trypanosoma brucei PDEB1 using [3H]-cAMP as substrate after 15 mins by scintillation proximity assay |
Bioorg Med Chem 24: 1573-81 (2016)
Article DOI: 10.1016/j.bmc.2016.02.032 BindingDB Entry DOI: 10.7270/Q22V2J07 |
More data for this Ligand-Target Pair | |
Phosphodiesterase
(Trypanosoma brucei) | BDBM50148249
(CHEMBL3763352)Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(OCCOC)c1 |r,c:3,9| Show InChI InChI=1S/C25H34N2O4/c1-29-15-16-31-23-17-18(13-14-22(23)30-2)24-20-11-7-8-12-21(20)25(28)27(26-24)19-9-5-3-4-6-10-19/h7-8,13-14,17,19-21H,3-6,9-12,15-16H2,1-2H3/t20-,21+/m0/s1 | PDB
UniProtKB/TrEMBL
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| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
Mercachem
Curated by ChEMBL
| Assay Description Inhibition of recombinant Trypanosoma brucei PDEB1 using [3H]-cAMP as substrate after 15 mins by scintillation proximity assay |
Bioorg Med Chem 24: 1573-81 (2016)
Article DOI: 10.1016/j.bmc.2016.02.032 BindingDB Entry DOI: 10.7270/Q22V2J07 |
More data for this Ligand-Target Pair | |
Phosphodiesterase
(Trypanosoma brucei) | BDBM50148248
(CHEMBL3765581)Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(OCCO)c1 |r,c:3,9| Show InChI InChI=1S/C24H32N2O4/c1-29-21-13-12-17(16-22(21)30-15-14-27)23-19-10-6-7-11-20(19)24(28)26(25-23)18-8-4-2-3-5-9-18/h6-7,12-13,16,18-20,27H,2-5,8-11,14-15H2,1H3/t19-,20+/m0/s1 | PDB
UniProtKB/TrEMBL
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| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Mercachem
Curated by ChEMBL
| Assay Description Inhibition of recombinant Trypanosoma brucei PDEB1 using [3H]-cAMP as substrate after 15 mins by scintillation proximity assay |
Bioorg Med Chem 24: 1573-81 (2016)
Article DOI: 10.1016/j.bmc.2016.02.032 BindingDB Entry DOI: 10.7270/Q22V2J07 |
More data for this Ligand-Target Pair | |
Phosphodiesterase
(Trypanosoma brucei) | BDBM50148252
(CHEMBL3764909)Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(OCc2ccccn2)c1 |r,c:3,9| Show InChI InChI=1S/C28H33N3O3/c1-33-25-16-15-20(18-26(25)34-19-21-10-8-9-17-29-21)27-23-13-6-7-14-24(23)28(32)31(30-27)22-11-4-2-3-5-12-22/h6-10,15-18,22-24H,2-5,11-14,19H2,1H3/t23-,24+/m0/s1 | PDB
UniProtKB/TrEMBL
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| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Mercachem
Curated by ChEMBL
| Assay Description Inhibition of recombinant Trypanosoma brucei PDEB1 using [3H]-cAMP as substrate after 15 mins by scintillation proximity assay |
Bioorg Med Chem 24: 1573-81 (2016)
Article DOI: 10.1016/j.bmc.2016.02.032 BindingDB Entry DOI: 10.7270/Q22V2J07 |
More data for this Ligand-Target Pair | |
Phosphodiesterase
(Trypanosoma brucei) | BDBM50148251
(CHEMBL3765225)Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(OCc2cc(OC)cc(OC)c2)c1 |r,c:3,9| Show InChI InChI=1S/C31H38N2O5/c1-35-24-16-21(17-25(19-24)36-2)20-38-29-18-22(14-15-28(29)37-3)30-26-12-8-9-13-27(26)31(34)33(32-30)23-10-6-4-5-7-11-23/h8-9,14-19,23,26-27H,4-7,10-13,20H2,1-3H3/t26-,27+/m0/s1 | PDB
UniProtKB/TrEMBL
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Similars
| Article PubMed
| n/a | n/a | 126 | n/a | n/a | n/a | n/a | n/a | n/a |
Mercachem
Curated by ChEMBL
| Assay Description Inhibition of recombinant Trypanosoma brucei PDEB1 using [3H]-cAMP as substrate after 15 mins by scintillation proximity assay |
Bioorg Med Chem 24: 1573-81 (2016)
Article DOI: 10.1016/j.bmc.2016.02.032 BindingDB Entry DOI: 10.7270/Q22V2J07 |
More data for this Ligand-Target Pair | |
Phosphodiesterase
(Leishmania major) | BDBM50397078
(CHEMBL2171452)Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nnn[nH]1)C1=NN(C2CCCCCC2)C(=O)C1(C)C |t:28| Show InChI InChI=1S/C30H38N6O4/c1-30(2)27(33-36(29(30)37)23-10-6-4-5-7-11-23)22-14-17-25(38-3)26(20-22)40-19-9-8-18-39-24-15-12-21(13-16-24)28-31-34-35-32-28/h12-17,20,23H,4-11,18-19H2,1-3H3,(H,31,32,34,35) | PDB MMDB
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VU University Amsterdam
Curated by ChEMBL
| Assay Description Inhibition of Leishmania major recombinant PDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation proxim... |
J Med Chem 55: 8745-56 (2012)
Article DOI: 10.1021/jm301059b BindingDB Entry DOI: 10.7270/Q2SF2X96 |
More data for this Ligand-Target Pair | |
Phosphodiesterase
(Trypanosoma brucei) | BDBM50148253
(CHEMBL3765733)Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(OCc2ccncc2)c1 |r,c:3,9| Show InChI InChI=1S/C28H33N3O3/c1-33-25-13-12-21(18-26(25)34-19-20-14-16-29-17-15-20)27-23-10-6-7-11-24(23)28(32)31(30-27)22-8-4-2-3-5-9-22/h6-7,12-18,22-24H,2-5,8-11,19H2,1H3/t23-,24+/m0/s1 | PDB
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Mercachem
Curated by ChEMBL
| Assay Description Inhibition of recombinant Trypanosoma brucei PDEB1 using [3H]-cAMP as substrate after 15 mins by scintillation proximity assay |
Bioorg Med Chem 24: 1573-81 (2016)
Article DOI: 10.1016/j.bmc.2016.02.032 BindingDB Entry DOI: 10.7270/Q22V2J07 |
More data for this Ligand-Target Pair | |
Phosphodiesterase
(Trypanosoma brucei) | BDBM50397079
(CHEMBL2171451)Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)C#N)C1=NN(C2CCCCCC2)C(=O)C1(C)C |t:24| Show InChI InChI=1S/C30H37N3O4/c1-30(2)28(32-33(29(30)34)24-10-6-4-5-7-11-24)23-14-17-26(35-3)27(20-23)37-19-9-8-18-36-25-15-12-22(21-31)13-16-25/h12-17,20,24H,4-11,18-19H2,1-3H3 | PDB
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VU University Amsterdam
Curated by ChEMBL
| Assay Description Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p... |
J Med Chem 55: 8745-56 (2012)
Article DOI: 10.1021/jm301059b BindingDB Entry DOI: 10.7270/Q2SF2X96 |
More data for this Ligand-Target Pair | |
Phosphodiesterase
(Trypanosoma cruzi) | BDBM92338
(Wyq16#)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)NC(=O)OC(C)C Show InChI InChI=1S/C21H27N5O6S/c1-6-8-15-17-18(26(5)24-15)20(27)23-19(22-17)14-11-13(9-10-16(14)31-7-2)33(29,30)25-21(28)32-12(3)4/h9-12H,6-8H2,1-5H3,(H,25,28)(H,22,23,27) | PDB
UniProtKB/TrEMBL
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| n/a | n/a | 230 | n/a | n/a | n/a | n/a | 7.5 | 24 |
University of North Carolina
| Assay Description Enzymatic activities were assayed using [3H] cAMP and [3H]cGMP as substrate. |
J Biol Chem 287: 11788-97 (2012)
Article DOI: 10.1074/jbc.M111.326777 BindingDB Entry DOI: 10.7270/Q2K9364D |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phosphodiesterase
(Trypanosoma brucei) | BDBM50397082
(CHEMBL2171460)Show SMILES COc1ccc(cc1OCc1cccc2ccccc12)C1=NN(C2CCCCCC2)C(=O)C1(C)C |t:23| Show InChI InChI=1S/C30H34N2O3/c1-30(2)28(31-32(29(30)33)24-14-6-4-5-7-15-24)22-17-18-26(34-3)27(19-22)35-20-23-13-10-12-21-11-8-9-16-25(21)23/h8-13,16-19,24H,4-7,14-15,20H2,1-3H3 | PDB
UniProtKB/TrEMBL
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| CHEMBL PC cid PC sid UniChem
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| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
VU University Amsterdam
Curated by ChEMBL
| Assay Description Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p... |
J Med Chem 55: 8745-56 (2012)
Article DOI: 10.1021/jm301059b BindingDB Entry DOI: 10.7270/Q2SF2X96 |
More data for this Ligand-Target Pair | |
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A
(Homo sapiens (Human)) | BDBM15296
(6-methyl-2-oxo-5-(pyridin-4-yl)-1,2-dihydropyridin...)Show InChI InChI=1S/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H3,(H,15,16) | PDB
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University of North Carolina
| Assay Description Enzymatic activities were assayed using [3H] cAMP and [3H]cGMP as substrate. |
J Biol Chem 287: 11788-97 (2012)
Article DOI: 10.1074/jbc.M111.326777 BindingDB Entry DOI: 10.7270/Q2K9364D |
More data for this Ligand-Target Pair | |
Phosphodiesterase
(Trypanosoma brucei) | BDBM50148240
(CHEMBL3763271)Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(OCCCCOc2ccc(cc2)C(O)=O)c1 |r,c:3,9| Show InChI InChI=1S/C33H40N2O6/c1-39-29-19-16-24(22-30(29)41-21-9-8-20-40-26-17-14-23(15-18-26)33(37)38)31-27-12-6-7-13-28(27)32(36)35(34-31)25-10-4-2-3-5-11-25/h6-7,14-19,22,25,27-28H,2-5,8-13,20-21H2,1H3,(H,37,38)/t27-,28+/m0/s1 | PDB
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Mercachem
Curated by ChEMBL
| Assay Description Inhibition of recombinant Trypanosoma brucei PDEB1 using [3H]-cAMP as substrate after 15 mins by scintillation proximity assay |
Bioorg Med Chem 24: 1573-81 (2016)
Article DOI: 10.1016/j.bmc.2016.02.032 BindingDB Entry DOI: 10.7270/Q22V2J07 |
More data for this Ligand-Target Pair | |
Phosphodiesterase
(Trypanosoma brucei) | BDBM50148194
(CHEMBL3763456)Show SMILES [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCCCCC1)C2=O)c1ccc(OC)c(OC)c1 |r,c:3,9| Show InChI InChI=1S/C23H30N2O3/c1-27-20-14-13-16(15-21(20)28-2)22-18-11-7-8-12-19(18)23(26)25(24-22)17-9-5-3-4-6-10-17/h7-8,13-15,17-19H,3-6,9-12H2,1-2H3/t18-,19+/m0/s1 | PDB
UniProtKB/TrEMBL
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Mercachem
Curated by ChEMBL
| Assay Description Inhibition of recombinant Trypanosoma brucei PDEB1 using [3H]-cAMP as substrate after 15 mins by scintillation proximity assay |
Bioorg Med Chem 24: 1573-81 (2016)
Article DOI: 10.1016/j.bmc.2016.02.032 BindingDB Entry DOI: 10.7270/Q22V2J07 |
More data for this Ligand-Target Pair | |
Phosphodiesterase
(Trypanosoma brucei) | BDBM50397086
(CHEMBL2171456)Show SMILES COc1ccc(cc1OCCCCOc1ccc(cc1)-c1nnn[nH]1)C1=NN(C(C)C)C(=O)C1(C)C |t:28| Show InChI InChI=1S/C26H32N6O4/c1-17(2)32-25(33)26(3,4)23(29-32)19-10-13-21(34-5)22(16-19)36-15-7-6-14-35-20-11-8-18(9-12-20)24-27-30-31-28-24/h8-13,16-17H,6-7,14-15H2,1-5H3,(H,27,28,30,31) | PDB
UniProtKB/TrEMBL
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VU University Amsterdam
Curated by ChEMBL
| Assay Description Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p... |
J Med Chem 55: 8745-56 (2012)
Article DOI: 10.1021/jm301059b BindingDB Entry DOI: 10.7270/Q2SF2X96 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phosphodiesterase
(Trypanosoma brucei) | BDBM50397106
(CHEMBL2171660)Show SMILES COc1ccc(cc1OC1CCCC1)C1=NN(C2CCCCCC2)C(=O)C1(C)C |t:16| Show InChI InChI=1S/C24H34N2O3/c1-24(2)22(25-26(23(24)27)18-10-6-4-5-7-11-18)17-14-15-20(28-3)21(16-17)29-19-12-8-9-13-19/h14-16,18-19H,4-13H2,1-3H3 | PDB
UniProtKB/TrEMBL
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| n/a | n/a | 410 | n/a | n/a | n/a | n/a | n/a | n/a |
VU University Amsterdam
Curated by ChEMBL
| Assay Description Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p... |
J Med Chem 55: 8745-56 (2012)
Article DOI: 10.1021/jm301059b BindingDB Entry DOI: 10.7270/Q2SF2X96 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A
(Homo sapiens (Human)) | BDBM23620
(2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(piperidin...)Show SMILES OCCN(CCO)c1nc(N2CCCCC2)c2nc(nc(N3CCCCC3)c2n1)N(CCO)CCO Show InChI InChI=1S/C24H40N8O4/c33-15-11-31(12-16-34)23-26-20-19(21(27-23)29-7-3-1-4-8-29)25-24(32(13-17-35)14-18-36)28-22(20)30-9-5-2-6-10-30/h33-36H,1-18H2 | PDB MMDB
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University of North Carolina
| Assay Description Enzymatic activities were assayed using [3H] cAMP and [3H]cGMP as substrate. |
J Biol Chem 287: 11788-97 (2012)
Article DOI: 10.1074/jbc.M111.326777 BindingDB Entry DOI: 10.7270/Q2K9364D |
More data for this Ligand-Target Pair | |
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A
(Homo sapiens (Human)) | BDBM14769
(6-(3,4-Dimethoxy-phenyl)-4,5-dimethyl-4,5-dihydro-...)Show InChI InChI=1S/C12H10F2N2O3/c1-18-10-6-7(2-4-9(10)19-12(13)14)8-3-5-11(17)16-15-8/h2-6,12H,1H3,(H,16,17) | PDB
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| n/a | n/a | 500 | n/a | n/a | n/a | n/a | 7.5 | 24 |
University of North Carolina
| Assay Description Enzymatic activities were assayed using [3H] cAMP and [3H]cGMP as substrate. |
J Biol Chem 287: 11788-97 (2012)
Article DOI: 10.1074/jbc.M111.326777 BindingDB Entry DOI: 10.7270/Q2K9364D |
More data for this Ligand-Target Pair | |
Phosphodiesterase
(Trypanosoma brucei) | BDBM50397102
(CHEMBL2171664)Show SMILES COc1ccc(cc1OCc1ccccc1)C1=NN(C2CCCCCC2)C(=O)C1(C)C |t:18| Show InChI InChI=1S/C26H32N2O3/c1-26(2)24(27-28(25(26)29)21-13-9-4-5-10-14-21)20-15-16-22(30-3)23(17-20)31-18-19-11-7-6-8-12-19/h6-8,11-12,15-17,21H,4-5,9-10,13-14,18H2,1-3H3 | PDB
UniProtKB/TrEMBL
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| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
VU University Amsterdam
Curated by ChEMBL
| Assay Description Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p... |
J Med Chem 55: 8745-56 (2012)
Article DOI: 10.1021/jm301059b BindingDB Entry DOI: 10.7270/Q2SF2X96 |
More data for this Ligand-Target Pair | |
Phosphodiesterase
(Trypanosoma brucei) | BDBM50397081
(CHEMBL2171461)Show SMILES COc1ccc(cc1OCc1ccccn1)C1=NN(C2CCCCCC2)C(=O)C1(C)C |t:18| Show InChI InChI=1S/C25H31N3O3/c1-25(2)23(27-28(24(25)29)20-11-6-4-5-7-12-20)18-13-14-21(30-3)22(16-18)31-17-19-10-8-9-15-26-19/h8-10,13-16,20H,4-7,11-12,17H2,1-3H3 | PDB
UniProtKB/TrEMBL
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| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
VU University Amsterdam
Curated by ChEMBL
| Assay Description Inhibition of Trypanosoma brucei recombinant TbrPDEB1 expressed in Sf21 insect cells assessed as reduction of [3H]-cAMP hydrolysis by scintillation p... |
J Med Chem 55: 8745-56 (2012)
Article DOI: 10.1021/jm301059b BindingDB Entry DOI: 10.7270/Q2SF2X96 |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM14769
(6-(3,4-Dimethoxy-phenyl)-4,5-dimethyl-4,5-dihydro-...)Show InChI InChI=1S/C12H10F2N2O3/c1-18-10-6-7(2-4-9(10)19-12(13)14)8-3-5-11(17)16-15-8/h2-6,12H,1H3,(H,16,17) | PDB
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| n/a | n/a | 500 | n/a | n/a | n/a | n/a | 7.5 | 24 |
University of North Carolina
| Assay Description Enzymatic activities were assayed using [3H] cAMP and [3H]cGMP as substrate. |
J Biol Chem 287: 11788-97 (2012)
Article DOI: 10.1074/jbc.M111.326777 BindingDB Entry DOI: 10.7270/Q2K9364D |
More data for this Ligand-Target Pair | 3D Structure (crystal) |