Found 306 hits with Last Name = 'walker' and Initial = 'gs' 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 |
Cytochrome P450 2J2
(Homo sapiens (Human)) | BDBM50423541
(DANAZOL | Danocrine | WIN-17757)Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=Cc5oncc5C[C@]34C)[C@@H]1CC[C@@]2(O)C#C |r,t:8| Show InChI InChI=1S/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16-,17+,18+,20+,21+,22+/m1/s1 | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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DrugBank MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Mixed inhibition of recombinant CYP2J2 (unknown origin)-mediated astemizole O-demethylation in presence of NADPH |
Drug Metab Dispos 40: 943-51 (2012)
Article DOI: 10.1124/dmd.111.043505 BindingDB Entry DOI: 10.7270/Q2PN97D2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50088503
(CHEMBL3527048)Show SMILES Cc1ccc(cc1)-c1c(cnn1C)-c1nn(C)c2ncnc(N3CC[C@@H](C3)N3CCCCC3)c12 |r| Show InChI InChI=1S/C26H32N8/c1-18-7-9-19(10-8-18)24-21(15-29-31(24)2)23-22-25(32(3)30-23)27-17-28-26(22)34-14-11-20(16-34)33-12-5-4-6-13-33/h7-10,15,17,20H,4-6,11-14,16H2,1-3H3/t20-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of midazolam 1'-hydroxylase activity of human recombinant CYP3A4 harboring human P450 oxidoreductase and b5 assessed as decrease in enzyme... |
Drug Metab Dispos 40: 1686-97 (2012)
Article DOI: 10.1124/dmd.112.045302 BindingDB Entry DOI: 10.7270/Q2GT5PW2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50088503
(CHEMBL3527048)Show SMILES Cc1ccc(cc1)-c1c(cnn1C)-c1nn(C)c2ncnc(N3CC[C@@H](C3)N3CCCCC3)c12 |r| Show InChI InChI=1S/C26H32N8/c1-18-7-9-19(10-8-18)24-21(15-29-31(24)2)23-22-25(32(3)30-23)27-17-28-26(22)34-14-11-20(16-34)33-12-5-4-6-13-33/h7-10,15,17,20H,4-6,11-14,16H2,1-3H3/t20-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of testosterone 6beta-hydroxylase activity of human recombinant CYP3A4 in presence of human P450 oxidoreductase and b5 assessed as decreas... |
Drug Metab Dispos 40: 1686-97 (2012)
Article DOI: 10.1124/dmd.112.045302 BindingDB Entry DOI: 10.7270/Q2GT5PW2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A5
(Homo sapiens (Human)) | BDBM50088503
(CHEMBL3527048)Show SMILES Cc1ccc(cc1)-c1c(cnn1C)-c1nn(C)c2ncnc(N3CC[C@@H](C3)N3CCCCC3)c12 |r| Show InChI InChI=1S/C26H32N8/c1-18-7-9-19(10-8-18)24-21(15-29-31(24)2)23-22-25(32(3)30-23)27-17-28-26(22)34-14-11-20(16-34)33-12-5-4-6-13-33/h7-10,15,17,20H,4-6,11-14,16H2,1-3H3/t20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of testosterone 6beta-hydroxylase activity of human recombinant CYP3A5 in presence of human P450 oxidoreductase and b5 assessed as decreas... |
Drug Metab Dispos 40: 1686-97 (2012)
Article DOI: 10.1124/dmd.112.045302 BindingDB Entry DOI: 10.7270/Q2GT5PW2 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A5
(Homo sapiens (Human)) | BDBM50088503
(CHEMBL3527048)Show SMILES Cc1ccc(cc1)-c1c(cnn1C)-c1nn(C)c2ncnc(N3CC[C@@H](C3)N3CCCCC3)c12 |r| Show InChI InChI=1S/C26H32N8/c1-18-7-9-19(10-8-18)24-21(15-29-31(24)2)23-22-25(32(3)30-23)27-17-28-26(22)34-14-11-20(16-34)33-12-5-4-6-13-33/h7-10,15,17,20H,4-6,11-14,16H2,1-3H3/t20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of midazolam 1'-hydroxylase activity of human recombinant CYP3A5 harboring human P450 oxidoreductase and b5 assessed as decrease in enzyme... |
Drug Metab Dispos 40: 1686-97 (2012)
Article DOI: 10.1124/dmd.112.045302 BindingDB Entry DOI: 10.7270/Q2GT5PW2 |
More data for this Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50166893
(2-(3,4-Dimethoxy-benzyl)-7-[(R)-1-((R)-1-hydroxy-e...)Show SMILES COc1ccc(Cc2nn3c(nc(C)c3c(=O)[nH]2)[C@@H](CCCc2ccccc2)[C@@H](C)O)cc1OC Show InChI InChI=1S/C27H32N4O4/c1-17-25-27(33)29-24(16-20-13-14-22(34-3)23(15-20)35-4)30-31(25)26(28-17)21(18(2)32)12-8-11-19-9-6-5-7-10-19/h5-7,9-10,13-15,18,21,32H,8,11-12,16H2,1-4H3,(H,29,30,33)/t18-,21+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
| PDB Article PubMed
| n/a | n/a | 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human PDE2A1 using 3',5'-[3H]cGMP as substrate after 30 mins by scintillation proximity assay |
J Med Chem 61: 3626-3640 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00116 BindingDB Entry DOI: 10.7270/Q2BV7K2X |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50263751
(CHEMBL4071033)Show SMILES Cc1nn(C)c(c1-c1nc(C(F)F)c2n1nc(C)[nH]c2=O)-c1ccc(cc1)C(F)(F)F |(26.88,-15.97,;25.65,-16.9,;25.68,-18.43,;24.22,-18.93,;23.77,-20.4,;23.3,-17.7,;24.18,-16.44,;23.68,-14.98,;24.56,-13.72,;23.64,-12.49,;24.09,-11.02,;23.1,-9.84,;25.61,-10.75,;22.18,-12.99,;22.2,-14.53,;20.88,-15.33,;19.54,-14.58,;18.22,-15.37,;19.51,-13.04,;20.83,-12.25,;20.81,-10.71,;21.75,-17.73,;21.01,-19.07,;19.47,-19.1,;18.68,-17.78,;19.42,-16.43,;20.96,-16.41,;17.13,-17.8,;16.73,-19.28,;15.64,-18.19,;16.34,-16.5,)| Show InChI InChI=1S/C19H15F5N6O/c1-8-12(14(29(3)27-8)10-4-6-11(7-5-10)19(22,23)24)17-26-13(16(20)21)15-18(31)25-9(2)28-30(15)17/h4-7,16H,1-3H3,(H,25,28,31) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human PDE2A1 using 3',5'-[3H]cGMP as substrate after 30 mins by scintillation proximity assay |
J Med Chem 61: 3626-3640 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00116 BindingDB Entry DOI: 10.7270/Q2BV7K2X |
More data for this Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50263733
(CHEMBL4077126)Show SMILES Cc1nn(C)c(c1-c1nc(C)c2n1nc(C)[nH]c2=O)-c1ccc(c(C)c1)C(F)(F)F |(23.41,-12.38,;22.16,-13.28,;22.15,-14.82,;20.68,-15.29,;20.21,-16.76,;19.79,-14.04,;20.69,-12.8,;20.22,-11.33,;21.13,-10.09,;20.23,-8.84,;20.71,-7.38,;18.76,-9.32,;18.75,-10.85,;17.42,-11.62,;16.09,-10.85,;14.75,-11.61,;16.1,-9.3,;17.43,-8.54,;17.44,-7,;18.24,-14.04,;17.48,-12.71,;15.94,-12.7,;15.16,-14.03,;15.94,-15.36,;15.15,-16.7,;17.47,-15.37,;13.62,-14.02,;13.61,-15.56,;12.28,-14.78,;12.86,-12.69,)| Show InChI InChI=1S/C20H19F3N6O/c1-9-8-13(6-7-14(9)20(21,22)23)17-15(10(2)26-28(17)5)18-24-11(3)16-19(30)25-12(4)27-29(16)18/h6-8H,1-5H3,(H,25,27,30) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.160 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human PDE2A1 using 3',5'-[3H]cGMP as substrate after 30 mins by scintillation proximity assay |
J Med Chem 61: 3626-3640 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00116 BindingDB Entry DOI: 10.7270/Q2BV7K2X |
More data for this Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50263737
(CHEMBL4076642)Show SMILES Cc1nn(C)c(c1-c1nc(CO)c2n1nc(C)[nH]c2=O)-c1ccc(c(C)c1)C(F)(F)F |(22.5,-11.05,;21.25,-11.96,;21.24,-13.49,;19.77,-13.97,;19.29,-15.43,;18.87,-12.72,;19.78,-11.47,;19.31,-10.01,;20.21,-8.77,;19.32,-7.51,;19.79,-6.05,;18.77,-4.91,;17.85,-7.99,;17.84,-9.52,;16.5,-10.3,;15.17,-9.52,;13.84,-10.29,;15.18,-7.98,;16.51,-7.21,;16.52,-5.67,;17.33,-12.72,;16.56,-11.38,;15.02,-11.38,;14.25,-12.71,;15.02,-14.04,;14.24,-15.38,;16.55,-14.05,;12.7,-12.7,;12.69,-14.23,;11.36,-13.46,;11.94,-11.37,)| Show InChI InChI=1S/C20H19F3N6O2/c1-9-7-12(5-6-13(9)20(21,22)23)16-15(10(2)26-28(16)4)18-25-14(8-30)17-19(31)24-11(3)27-29(17)18/h5-7,30H,8H2,1-4H3,(H,24,27,31) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human PDE2A1 using 3',5'-[3H]cGMP as substrate after 30 mins by scintillation proximity assay |
J Med Chem 61: 3626-3640 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00116 BindingDB Entry DOI: 10.7270/Q2BV7K2X |
More data for this Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50263752
(CHEMBL4092829)Show SMILES Cc1n[nH]c(c1-c1nc(C(F)F)c2n1nc(C)[nH]c2=O)-c1ccc(cc1)C(F)(F)F |(26.88,-15.97,;25.65,-16.89,;25.67,-18.43,;24.22,-18.93,;23.29,-17.7,;24.18,-16.44,;23.68,-14.98,;24.56,-13.72,;23.64,-12.49,;24.09,-11.02,;23.1,-9.84,;25.6,-10.75,;22.18,-12.99,;22.2,-14.53,;20.88,-15.33,;19.54,-14.58,;18.22,-15.37,;19.51,-13.03,;20.83,-12.25,;20.81,-10.71,;21.75,-17.73,;21.01,-19.07,;19.47,-19.1,;18.67,-17.78,;19.42,-16.43,;20.96,-16.41,;17.13,-17.8,;16.72,-19.28,;15.64,-18.19,;16.34,-16.49,)| Show InChI InChI=1S/C18H13F5N6O/c1-7-11(12(27-26-7)9-3-5-10(6-4-9)18(21,22)23)16-25-13(15(19)20)14-17(30)24-8(2)28-29(14)16/h3-6,15H,1-2H3,(H,26,27)(H,24,28,30) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.230 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human PDE2A1 using 3',5'-[3H]cGMP as substrate after 30 mins by scintillation proximity assay |
J Med Chem 61: 3626-3640 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00116 BindingDB Entry DOI: 10.7270/Q2BV7K2X |
More data for this Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50263791
(CHEMBL4062397)Show SMILES Cc1nn(C)c(c1-c1nc(CO)c2n1nc(C)[nH]c2=O)-c1ccc(cc1)C(F)(F)F |(22.28,-12.54,;21.03,-13.44,;21.02,-14.98,;19.55,-15.45,;19.07,-16.91,;18.65,-14.2,;19.56,-12.96,;19.08,-11.49,;19.99,-10.25,;19.09,-9,;19.57,-7.53,;21.07,-7.21,;17.62,-9.47,;17.62,-11.01,;16.28,-11.78,;14.95,-11.01,;13.61,-11.77,;14.96,-9.46,;16.29,-8.7,;16.3,-7.15,;17.11,-14.2,;16.33,-15.53,;14.8,-15.53,;14.02,-14.19,;14.8,-12.86,;16.34,-12.87,;12.47,-14.18,;12.47,-15.72,;11.14,-14.94,;11.72,-12.85,)| Show InChI InChI=1S/C19H17F3N6O2/c1-9-14(17-24-13(8-29)16-18(30)23-10(2)26-28(16)17)15(27(3)25-9)11-4-6-12(7-5-11)19(20,21)22/h4-7,29H,8H2,1-3H3,(H,23,26,30) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human PDE2A1 using 3',5'-[3H]cGMP as substrate after 30 mins by scintillation proximity assay |
J Med Chem 61: 3626-3640 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00116 BindingDB Entry DOI: 10.7270/Q2BV7K2X |
More data for this Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50263791
(CHEMBL4062397)Show SMILES Cc1nn(C)c(c1-c1nc(CO)c2n1nc(C)[nH]c2=O)-c1ccc(cc1)C(F)(F)F |(22.28,-12.54,;21.03,-13.44,;21.02,-14.98,;19.55,-15.45,;19.07,-16.91,;18.65,-14.2,;19.56,-12.96,;19.08,-11.49,;19.99,-10.25,;19.09,-9,;19.57,-7.53,;21.07,-7.21,;17.62,-9.47,;17.62,-11.01,;16.28,-11.78,;14.95,-11.01,;13.61,-11.77,;14.96,-9.46,;16.29,-8.7,;16.3,-7.15,;17.11,-14.2,;16.33,-15.53,;14.8,-15.53,;14.02,-14.19,;14.8,-12.86,;16.34,-12.87,;12.47,-14.18,;12.47,-15.72,;11.14,-14.94,;11.72,-12.85,)| Show InChI InChI=1S/C19H17F3N6O2/c1-9-14(17-24-13(8-29)16-18(30)23-10(2)26-28(16)17)15(27(3)25-9)11-4-6-12(7-5-11)19(20,21)22/h4-7,29H,8H2,1-3H3,(H,23,26,30) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human PDE2A1 using 3',5'-[3H]cGMP as substrate measured after 30 mins by Yttrium silicate scintillation proximity assay |
ACS Med Chem Lett 9: 68-72 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00343 BindingDB Entry DOI: 10.7270/Q2MG7S23 |
More data for this Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50286695
(CHEMBL4160171)Show SMILES Cc1nn(C)c(c1-c1nc(C)c2n1nc(C)[nH]c2=O)-c1ccc(cc1)C(F)(F)F |(18.8,-12.08,;20.34,-12.07,;21.23,-10.82,;22.7,-11.29,;23.94,-10.38,;22.71,-12.83,;21.25,-13.32,;20.78,-14.79,;21.69,-16.02,;20.8,-17.27,;21.28,-18.73,;19.33,-16.8,;19.33,-15.27,;18,-14.49,;16.67,-15.27,;15.33,-14.5,;16.67,-16.81,;18,-17.57,;18,-19.11,;23.95,-13.73,;23.8,-15.26,;25.05,-16.16,;26.45,-15.53,;26.6,-13.98,;25.35,-13.09,;27.7,-16.42,;27.55,-17.95,;29.11,-15.79,;29.03,-17.19,)| Show InChI InChI=1S/C42H56N4O4/c1-28-18-19-32(41(50)45-21-20-30-14-8-10-16-33(30)25-45)23-35(28)39(48)43-36(22-29-12-6-5-7-13-29)38(47)27-46-26-34-17-11-9-15-31(34)24-37(46)40(49)44-42(2,3)4/h5-8,10,12-14,16,18-19,23,30-31,33-34,36-38,47H,9,11,15,17,20-22,24-27H2,1-4H3,(H,43,48)(H,44,49)/t30?,31-,33?,34+,36-,37-,38+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human PDE2A1 using 3',5'-[3H]cGMP as substrate measured after 30 mins by Yttrium silicate scintillation proximity assay |
ACS Med Chem Lett 9: 68-72 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00343 BindingDB Entry DOI: 10.7270/Q2MG7S23 |
More data for this Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50263793
(CHEMBL4073753)Show SMILES Cc1nn(C)c(c1-c1nc(CO)c2n1nc(C)[nH]c2=O)-c1ccc(Cl)cc1 |(27.11,-16.14,;25.87,-17.05,;25.88,-18.59,;24.41,-19.07,;23.94,-20.54,;23.5,-17.82,;24.4,-16.58,;23.92,-15.11,;24.82,-13.86,;23.91,-12.62,;24.39,-11.16,;25.9,-10.84,;22.45,-13.1,;22.46,-14.64,;21.12,-15.42,;19.79,-14.65,;18.46,-15.42,;19.78,-13.11,;21.12,-12.34,;21.11,-10.8,;21.96,-17.83,;21.19,-16.5,;19.65,-16.51,;18.88,-17.84,;17.34,-17.85,;19.66,-19.17,;21.2,-19.16,)| Show InChI InChI=1S/C18H17ClN6O2/c1-9-14(15(24(3)22-9)11-4-6-12(19)7-5-11)17-21-13(8-26)16-18(27)20-10(2)23-25(16)17/h4-7,26H,8H2,1-3H3,(H,20,23,27) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.920 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human PDE2A1 using 3',5'-[3H]cGMP as substrate after 30 mins by scintillation proximity assay |
J Med Chem 61: 3626-3640 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00116 BindingDB Entry DOI: 10.7270/Q2BV7K2X |
More data for this Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50263792
(CHEMBL4091870)Show SMILES Cc1nn2c(nc(C(F)F)c2c(=O)[nH]1)-c1c(CO)nn(C)c1-c1ccc(cc1)C(F)(F)F |(18.22,-15.37,;19.54,-14.58,;20.88,-15.33,;22.2,-14.54,;23.68,-14.98,;24.56,-13.72,;23.64,-12.49,;24.09,-11.02,;23.1,-9.84,;25.61,-10.75,;22.18,-12.99,;20.84,-12.25,;20.81,-10.71,;19.52,-13.04,;24.18,-16.44,;25.66,-16.9,;26.89,-15.97,;26.7,-14.45,;25.68,-18.43,;24.22,-18.93,;23.77,-20.4,;23.3,-17.7,;21.76,-17.73,;21.01,-19.08,;19.47,-19.1,;18.68,-17.78,;19.43,-16.44,;20.96,-16.41,;17.13,-17.8,;16.73,-19.29,;15.65,-18.2,;16.34,-16.5,)| Show InChI InChI=1S/C19H15F5N6O2/c1-8-25-18(32)15-13(16(20)21)26-17(30(15)27-8)12-11(7-31)28-29(2)14(12)9-3-5-10(6-4-9)19(22,23)24/h3-6,16,31H,7H2,1-2H3,(H,25,27,32) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human PDE2A1 using 3',5'-[3H]cGMP as substrate after 30 mins by scintillation proximity assay |
J Med Chem 61: 3626-3640 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00116 BindingDB Entry DOI: 10.7270/Q2BV7K2X |
More data for this Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50263739
(CHEMBL4059875)Show SMILES Cc1n[nH]c(c1-c1nc(CO)c2n1nc(C)[nH]c2=O)-c1ccc(cc1)C(F)(F)F |(22.28,-12.54,;21.03,-13.44,;21.02,-14.98,;19.55,-15.45,;18.65,-14.2,;19.56,-12.96,;19.08,-11.49,;19.99,-10.25,;19.09,-9,;19.57,-7.53,;21.07,-7.21,;17.62,-9.47,;17.62,-11.01,;16.28,-11.78,;14.95,-11.01,;13.61,-11.77,;14.96,-9.46,;16.29,-8.7,;16.3,-7.15,;17.11,-14.2,;16.33,-15.53,;14.8,-15.53,;14.02,-14.19,;14.8,-12.86,;16.34,-12.87,;12.47,-14.18,;12.47,-15.72,;11.14,-14.94,;11.72,-12.85,)| Show InChI InChI=1S/C18H15F3N6O2/c1-8-13(14(25-24-8)10-3-5-11(6-4-10)18(19,20)21)16-23-12(7-28)15-17(29)22-9(2)26-27(15)16/h3-6,28H,7H2,1-2H3,(H,24,25)(H,22,26,29) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human PDE2A1 using 3',5'-[3H]cGMP as substrate after 30 mins by scintillation proximity assay |
J Med Chem 61: 3626-3640 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00116 BindingDB Entry DOI: 10.7270/Q2BV7K2X |
More data for this Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50263785
(CHEMBL4069753)Show SMILES COc1ccc(Cc2nn3c(nc(C)c3c(=O)[nH]2)[C@@H](CCCc2ccccc2)[C@H](C)O)cc1OC |r| Show InChI InChI=1S/C27H32N4O4/c1-17-25-27(33)29-24(16-20-13-14-22(34-3)23(15-20)35-4)30-31(25)26(28-17)21(18(2)32)12-8-11-19-9-6-5-7-10-19/h5-7,9-10,13-15,18,21,32H,8,11-12,16H2,1-4H3,(H,29,30,33)/t18-,21-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human PDE2A1 using 3',5'-[3H]cGMP as substrate after 30 mins by scintillation proximity assay |
J Med Chem 61: 3626-3640 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00116 BindingDB Entry DOI: 10.7270/Q2BV7K2X |
More data for this Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM130958
(US8829010, 9)Show SMILES CCc1ccc(cc1)-c1c(cnn1C)-c1nn(C)c2ncnc(N3CCC3)c12 Show InChI InChI=1S/C21H23N7/c1-4-14-6-8-15(9-7-14)19-16(12-24-26(19)2)18-17-20(27(3)25-18)22-13-23-21(17)28-10-5-11-28/h6-9,12-13H,4-5,10-11H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| 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 |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of PDE2 (unknown origin) |
J Med Chem 63: 6387-6406 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01840 BindingDB Entry DOI: 10.7270/Q2X06BK1 |
More data for this Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50263783
(CHEMBL4088306)Show SMILES COc1ccc(Cc2nn3c(nc(C)c3c(=O)[nH]2)[C@@H](CCC(O)c2ccccc2)[C@@H](C)O)cc1OC |r| Show InChI InChI=1S/C27H32N4O5/c1-16-25-27(34)29-24(15-18-10-13-22(35-3)23(14-18)36-4)30-31(25)26(28-16)20(17(2)32)11-12-21(33)19-8-6-5-7-9-19/h5-10,13-14,17,20-21,32-33H,11-12,15H2,1-4H3,(H,29,30,34)/t17-,20+,21?/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human PDE2A1 using 3',5'-[3H]cGMP as substrate after 30 mins by scintillation proximity assay |
J Med Chem 61: 3626-3640 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00116 BindingDB Entry DOI: 10.7270/Q2BV7K2X |
More data for this Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50263783
(CHEMBL4088306)Show SMILES COc1ccc(Cc2nn3c(nc(C)c3c(=O)[nH]2)[C@@H](CCC(O)c2ccccc2)[C@@H](C)O)cc1OC |r| Show InChI InChI=1S/C27H32N4O5/c1-16-25-27(34)29-24(15-18-10-13-22(35-3)23(14-18)36-4)30-31(25)26(28-16)20(17(2)32)11-12-21(33)19-8-6-5-7-9-19/h5-10,13-14,17,20-21,32-33H,11-12,15H2,1-4H3,(H,29,30,34)/t17-,20+,21?/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human PDE2A1 using 3',5'-[3H]cGMP as substrate after 30 mins by scintillation proximity assay |
J Med Chem 61: 3626-3640 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00116 BindingDB Entry DOI: 10.7270/Q2BV7K2X |
More data for this Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50263753
(CHEMBL4065163)Show SMILES Cc1nn(C)c(c1-c1nc(C)c2n1nc(C)[nH]c2=O)-c1ccc(Cl)cc1 |(27.17,-14.96,;25.93,-15.87,;25.94,-17.41,;24.48,-17.89,;24,-19.36,;23.56,-16.65,;24.46,-15.4,;23.98,-13.94,;24.88,-12.68,;23.98,-11.44,;24.45,-9.98,;22.51,-11.92,;22.52,-13.46,;21.19,-14.23,;19.85,-13.47,;18.52,-14.25,;19.84,-11.93,;21.17,-11.15,;21.17,-9.61,;22.02,-16.65,;21.26,-15.32,;19.72,-15.32,;18.94,-16.66,;17.4,-16.67,;19.72,-17.99,;21.26,-17.99,)| Show InChI InChI=1S/C18H17ClN6O/c1-9-14(16(24(4)22-9)12-5-7-13(19)8-6-12)17-20-10(2)15-18(26)21-11(3)23-25(15)17/h5-8H,1-4H3,(H,21,23,26) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human PDE2A1 using 3',5'-[3H]cGMP as substrate after 30 mins by scintillation proximity assay |
J Med Chem 61: 3626-3640 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00116 BindingDB Entry DOI: 10.7270/Q2BV7K2X |
More data for this Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50263784
(CHEMBL4096948)Show SMILES COc1ccc(Cc2nn3c(nc(C)c3c(=O)[nH]2)[C@@H](CCC(=O)c2ccccc2)[C@@H](C)O)cc1OC |r| Show InChI InChI=1S/C27H30N4O5/c1-16-25-27(34)29-24(15-18-10-13-22(35-3)23(14-18)36-4)30-31(25)26(28-16)20(17(2)32)11-12-21(33)19-8-6-5-7-9-19/h5-10,13-14,17,20,32H,11-12,15H2,1-4H3,(H,29,30,34)/t17-,20+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| 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 |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human PDE2A1 using 3',5'-[3H]cGMP as substrate after 30 mins by scintillation proximity assay |
J Med Chem 61: 3626-3640 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00116 BindingDB Entry DOI: 10.7270/Q2BV7K2X |
More data for this Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50263738
(CHEMBL4080264)Show SMILES COCc1nc(-c2c(C)nn(C)c2-c2ccc(cc2)C(F)(F)F)n2nc(C)[nH]c(=O)c12 |(21.55,-5.75,;21.07,-7.21,;19.57,-7.53,;19.09,-9,;19.99,-10.25,;19.08,-11.49,;19.56,-12.96,;21.03,-13.44,;22.28,-12.54,;21.02,-14.98,;19.55,-15.45,;19.07,-16.92,;18.65,-14.2,;17.11,-14.2,;16.33,-15.53,;14.8,-15.53,;14.02,-14.19,;14.8,-12.86,;16.34,-12.87,;12.47,-14.18,;12.47,-15.72,;11.14,-14.94,;11.72,-12.85,;17.62,-11.01,;16.28,-11.78,;14.95,-11.01,;13.61,-11.77,;14.96,-9.46,;16.29,-8.7,;16.3,-7.15,;17.62,-9.47,)| Show InChI InChI=1S/C20H19F3N6O2/c1-10-15(16(28(3)26-10)12-5-7-13(8-6-12)20(21,22)23)18-25-14(9-31-4)17-19(30)24-11(2)27-29(17)18/h5-8H,9H2,1-4H3,(H,24,27,30) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human PDE2A1 using 3',5'-[3H]cGMP as substrate after 30 mins by scintillation proximity assay |
J Med Chem 61: 3626-3640 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00116 BindingDB Entry DOI: 10.7270/Q2BV7K2X |
More data for this Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50263802
(CHEMBL4096035)Show SMILES COc1ccc(Cc2nn3c(nc(C)c3c(=O)[nH]2)[C@@H](CCC(O)c2ccccc2)[C@@H](C)O)cc1O |r| Show InChI InChI=1S/C26H30N4O5/c1-15-24-26(34)28-23(14-17-9-12-22(35-3)21(33)13-17)29-30(24)25(27-15)19(16(2)31)10-11-20(32)18-7-5-4-6-8-18/h4-9,12-13,16,19-20,31-33H,10-11,14H2,1-3H3,(H,28,29,34)/t16-,19+,20?/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human PDE2A1 using 3',5'-[3H]cGMP as substrate after 30 mins by scintillation proximity assay |
J Med Chem 61: 3626-3640 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00116 BindingDB Entry DOI: 10.7270/Q2BV7K2X |
More data for this Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50263736
(CHEMBL4090571)Show SMILES Cc1cc(ccc1C(F)(F)F)-c1c(c(CO)nn1C)-c1nc(CO)c2n1nc(C)[nH]c2=O |(14.24,-15.38,;15.02,-14.04,;16.56,-14.05,;17.33,-12.72,;16.57,-11.38,;15.02,-11.38,;14.25,-12.71,;12.7,-12.7,;12.69,-14.24,;11.36,-13.46,;11.94,-11.37,;18.87,-12.72,;19.78,-11.47,;21.25,-11.96,;22.5,-11.05,;23.9,-11.68,;21.24,-13.5,;19.77,-13.97,;19.3,-15.44,;19.31,-10.01,;20.22,-8.77,;19.32,-7.52,;19.8,-6.05,;18.77,-4.91,;17.85,-7.99,;17.84,-9.53,;16.5,-10.3,;15.17,-9.52,;13.84,-10.29,;15.18,-7.98,;16.52,-7.22,;16.52,-5.67,)| Show InChI InChI=1S/C20H19F3N6O3/c1-9-6-11(4-5-12(9)20(21,22)23)16-15(13(7-30)27-28(16)3)18-25-14(8-31)17-19(32)24-10(2)26-29(17)18/h4-6,30-31H,7-8H2,1-3H3,(H,24,26,32) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human PDE2A1 using 3',5'-[3H]cGMP as substrate after 30 mins by scintillation proximity assay |
J Med Chem 61: 3626-3640 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00116 BindingDB Entry DOI: 10.7270/Q2BV7K2X |
More data for this Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50263746
(CHEMBL4084107)Show SMILES COCc1nc(-c2c(C)nn(C)c2-c2ccc(cc2)C(F)(F)F)n2[n+]([O-])c(C)[nH]c(=O)c12 |(21.51,-4.74,;21.03,-6.2,;19.53,-6.52,;19.06,-7.99,;19.95,-9.23,;19.05,-10.48,;19.52,-12.93,;20.98,-13.42,;22.23,-12.51,;20.98,-14.95,;19.51,-15.42,;19.03,-16.88,;18.61,-14.17,;17.07,-14.17,;16.3,-15.5,;14.77,-15.5,;14,-14.16,;14.77,-12.84,;16.31,-12.84,;12.45,-14.15,;12.44,-15.69,;11.12,-14.91,;11.69,-12.83,;17.58,-9.99,;16.25,-10.76,;16.25,-12.31,;14.92,-9.99,;13.59,-10.75,;14.93,-8.45,;16.26,-7.69,;16.27,-6.14,;17.59,-8.46,)| Show InChI InChI=1S/C20H19F3N6O3/c1-10-15(16(27(3)26-10)12-5-7-13(8-6-12)20(21,22)23)18-25-14(9-32-4)17-19(30)24-11(2)29(31)28(17)18/h5-8H,9H2,1-4H3,(H,24,30) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human PDE2A1 using 3',5'-[3H]cGMP as substrate after 30 mins by scintillation proximity assay |
J Med Chem 61: 3626-3640 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00116 BindingDB Entry DOI: 10.7270/Q2BV7K2X |
More data for this Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50286731
(CHEMBL4171712)Show SMILES Cc1nc(-c2c(CO)nn(C)c2-c2ccc(cc2)C(F)(F)F)n2nc(C)[nH]c(=O)c12 |(21.28,-18.73,;20.8,-17.27,;21.69,-16.02,;20.78,-14.79,;21.25,-13.32,;20.34,-12.07,;18.8,-12.08,;18.02,-10.75,;21.23,-10.82,;22.7,-11.29,;23.94,-10.38,;22.71,-12.83,;23.95,-13.73,;23.8,-15.26,;25.05,-16.16,;26.45,-15.52,;26.6,-13.98,;25.35,-13.09,;27.7,-16.42,;27.55,-17.95,;29.11,-15.79,;29.03,-17.19,;19.33,-15.27,;18,-14.49,;16.67,-15.27,;15.33,-14.5,;16.67,-16.81,;18,-17.57,;18,-19.11,;19.33,-16.8,)| Show InChI InChI=1S/C19H17F3N6O2/c1-9-15-18(30)24-10(2)25-28(15)17(23-9)14-13(8-29)26-27(3)16(14)11-4-6-12(7-5-11)19(20,21)22/h4-7,29H,8H2,1-3H3,(H,24,25,30) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human PDE2A1 using 3',5'-[3H]cGMP as substrate measured after 30 mins by Yttrium silicate scintillation proximity assay |
ACS Med Chem Lett 9: 68-72 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00343 BindingDB Entry DOI: 10.7270/Q2MG7S23 |
More data for this Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50263740
(CHEMBL4088142)Show SMILES Cc1nn2c(nc(CO)c2c(=O)[nH]1)-c1c(CO)nn(C)c1-c1ccc(cc1)C(F)(F)F |(13.61,-11.77,;14.95,-11.01,;16.28,-11.78,;17.62,-11.01,;19.08,-11.49,;19.99,-10.25,;19.09,-9,;19.57,-7.53,;21.07,-7.21,;17.62,-9.47,;16.29,-8.7,;16.3,-7.15,;14.96,-9.46,;19.56,-12.96,;21.03,-13.44,;22.28,-12.54,;23.68,-13.16,;21.02,-14.98,;19.55,-15.45,;19.07,-16.91,;18.65,-14.2,;17.11,-14.2,;16.33,-15.53,;14.8,-15.53,;14.02,-14.19,;14.8,-12.86,;16.34,-12.87,;12.47,-14.18,;12.47,-15.72,;11.14,-14.94,;11.72,-12.85,)| Show InChI InChI=1S/C19H17F3N6O3/c1-9-23-18(31)16-13(8-30)24-17(28(16)25-9)14-12(7-29)26-27(2)15(14)10-3-5-11(6-4-10)19(20,21)22/h3-6,29-30H,7-8H2,1-2H3,(H,23,25,31) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human PDE2A1 using 3',5'-[3H]cGMP as substrate measured after 30 mins by Yttrium silicate scintillation proximity assay |
ACS Med Chem Lett 9: 68-72 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00343 BindingDB Entry DOI: 10.7270/Q2MG7S23 |
More data for this Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50355142
(CHEMBL1835919)Show SMILES Nc1ncnc2OCCN(c3ccc(cc3)[C@H]3CC[C@H](CC(O)=O)CC3)C(=O)c12 |r,wU:16.16,wD:19.20,(-8.41,-1.48,;-8.4,-3.02,;-9.73,-3.79,;-9.73,-5.34,;-8.4,-6.11,;-7.06,-5.34,;-5.73,-6.38,;-4.15,-6.01,;-3.48,-4.52,;-4.27,-3.04,;-3.51,-1.7,;-1.98,-1.68,;-1.22,-.34,;-2.01,.98,;-3.56,.96,;-4.3,-.39,;-1.26,2.32,;-2.05,3.64,;-1.29,4.98,;.25,5,;1.01,6.34,;2.55,6.36,;3.33,5.03,;3.3,7.7,;1.03,3.67,;.28,2.34,;-5.83,-2.78,;-6.22,-1.29,;-7.07,-3.79,)| Show InChI InChI=1S/C21H24N4O4/c22-19-18-20(24-12-23-19)29-10-9-25(21(18)28)16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-17(26)27/h5-8,12-14H,1-4,9-11H2,(H,26,27)(H2,22,23,24)/t13-,14- | PDB
UniProtKB/SwissProt
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TBA
Curated by ChEMBL
| Assay Description Inhibition of DGAT1-mediated triglyceride synthesis in human HT-29 cells using [3H]glycerol as substrate after 6 hrs by beta counting |
ACS Med Chem Lett 2: 407-412 (2011)
Article DOI: 10.1021/ml200051p BindingDB Entry DOI: 10.7270/Q2MW2HM6 |
More data for this Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50263740
(CHEMBL4088142)Show SMILES Cc1nn2c(nc(CO)c2c(=O)[nH]1)-c1c(CO)nn(C)c1-c1ccc(cc1)C(F)(F)F |(13.61,-11.77,;14.95,-11.01,;16.28,-11.78,;17.62,-11.01,;19.08,-11.49,;19.99,-10.25,;19.09,-9,;19.57,-7.53,;21.07,-7.21,;17.62,-9.47,;16.29,-8.7,;16.3,-7.15,;14.96,-9.46,;19.56,-12.96,;21.03,-13.44,;22.28,-12.54,;23.68,-13.16,;21.02,-14.98,;19.55,-15.45,;19.07,-16.91,;18.65,-14.2,;17.11,-14.2,;16.33,-15.53,;14.8,-15.53,;14.02,-14.19,;14.8,-12.86,;16.34,-12.87,;12.47,-14.18,;12.47,-15.72,;11.14,-14.94,;11.72,-12.85,)| Show InChI InChI=1S/C19H17F3N6O3/c1-9-23-18(31)16-13(8-30)24-17(28(16)25-9)14-12(7-29)26-27(2)15(14)10-3-5-11(6-4-10)19(20,21)22/h3-6,29-30H,7-8H2,1-2H3,(H,23,25,31) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 9.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human PDE2A1 using 3',5'-[3H]cGMP as substrate after 30 mins by scintillation proximity assay |
J Med Chem 61: 3626-3640 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00116 BindingDB Entry DOI: 10.7270/Q2BV7K2X |
More data for this Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50263782
(CHEMBL4076399)Show SMILES COc1cc(Cc2nn3c(nc(C)c3c(=O)[nH]2)[C@@H](CCC(O)c2ccccc2)[C@@H](C)O)ccc1O |r| Show InChI InChI=1S/C26H30N4O5/c1-15-24-26(34)28-23(14-17-9-11-21(33)22(13-17)35-3)29-30(24)25(27-15)19(16(2)31)10-12-20(32)18-7-5-4-6-8-18/h4-9,11,13,16,19-20,31-33H,10,12,14H2,1-3H3,(H,28,29,34)/t16-,19+,20?/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human PDE2A1 using 3',5'-[3H]cGMP as substrate after 30 mins by scintillation proximity assay |
J Med Chem 61: 3626-3640 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00116 BindingDB Entry DOI: 10.7270/Q2BV7K2X |
More data for this Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50263787
(CHEMBL4069911)Show SMILES COc1ccc(Cc2nn3c(nc(C)c3c(=O)[nH]2)[C@@H](CCC(O)c2ccccc2)[C@H](C)O)cc1OC |r| Show InChI InChI=1S/C27H32N4O5/c1-16-25-27(34)29-24(15-18-10-13-22(35-3)23(14-18)36-4)30-31(25)26(28-16)20(17(2)32)11-12-21(33)19-8-6-5-7-9-19/h5-10,13-14,17,20-21,32-33H,11-12,15H2,1-4H3,(H,29,30,34)/t17-,20-,21?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 9.35 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human PDE2A1 using 3',5'-[3H]cGMP as substrate after 30 mins by scintillation proximity assay |
J Med Chem 61: 3626-3640 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00116 BindingDB Entry DOI: 10.7270/Q2BV7K2X |
More data for this Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50263787
(CHEMBL4069911)Show SMILES COc1ccc(Cc2nn3c(nc(C)c3c(=O)[nH]2)[C@@H](CCC(O)c2ccccc2)[C@H](C)O)cc1OC |r| Show InChI InChI=1S/C27H32N4O5/c1-16-25-27(34)29-24(15-18-10-13-22(35-3)23(14-18)36-4)30-31(25)26(28-16)20(17(2)32)11-12-21(33)19-8-6-5-7-9-19/h5-10,13-14,17,20-21,32-33H,11-12,15H2,1-4H3,(H,29,30,34)/t17-,20-,21?/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 9.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human PDE2A1 using 3',5'-[3H]cGMP as substrate after 30 mins by scintillation proximity assay |
J Med Chem 61: 3626-3640 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00116 BindingDB Entry DOI: 10.7270/Q2BV7K2X |
More data for this Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50540316
(CHEMBL4635049)Show SMILES CCc1ccc(cc1)-c1c(cnn1C)-c1nn(C)c2ncnc(N3CC(O)C3)c12 Show InChI InChI=1S/C21H23N7O/c1-4-13-5-7-14(8-6-13)19-16(9-24-26(19)2)18-17-20(27(3)25-18)22-12-23-21(17)28-10-15(29)11-28/h5-9,12,15,29H,4,10-11H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of PDE2 (unknown origin) |
J Med Chem 63: 6387-6406 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01840 BindingDB Entry DOI: 10.7270/Q2X06BK1 |
More data for this Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50263777
(CHEMBL4077939)Show SMILES Cc1nn(C)c(c1-c1nc(C)c2n1nc(C)[nH]c2=O)-c1ccc(cn1)C(F)(F)F |(28.74,-15.37,;27.5,-16.28,;27.49,-17.82,;26.03,-18.29,;25.55,-19.75,;25.13,-17.04,;26.03,-15.8,;25.56,-14.33,;26.47,-13.09,;25.57,-11.84,;26.05,-10.38,;24.1,-12.32,;24.1,-13.86,;22.77,-14.62,;21.43,-13.85,;20.1,-14.62,;21.44,-12.31,;22.77,-11.55,;22.77,-10.01,;23.59,-17.04,;22.82,-18.37,;21.28,-18.37,;20.51,-17.03,;21.28,-15.7,;22.82,-15.7,;18.97,-17.03,;18.96,-18.57,;17.63,-17.79,;18.21,-15.69,)| Show InChI InChI=1S/C18H16F3N7O/c1-8-13(16-23-9(2)14-17(29)24-10(3)26-28(14)16)15(27(4)25-8)12-6-5-11(7-22-12)18(19,20)21/h5-7H,1-4H3,(H,24,26,29) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human PDE2A1 using 3',5'-[3H]cGMP as substrate after 30 mins by scintillation proximity assay |
J Med Chem 61: 3626-3640 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00116 BindingDB Entry DOI: 10.7270/Q2BV7K2X |
More data for this Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50263765
(CHEMBL4074834)Show SMILES COc1ccc(cn1)-c1c(c(C)nn1C)-c1nc(C)c2n1nc(C)[nH]c2=O |(17.03,-22.44,;17.8,-21.11,;19.35,-21.11,;20.11,-19.77,;21.66,-19.77,;22.43,-21.11,;21.66,-22.44,;20.11,-22.44,;23.97,-21.11,;24.88,-19.86,;26.34,-20.33,;27.59,-19.43,;26.34,-21.88,;24.88,-22.35,;24.4,-23.82,;24.4,-18.39,;25.31,-17.14,;24.4,-15.9,;24.88,-14.43,;22.93,-16.37,;22.93,-17.92,;21.6,-18.69,;20.26,-17.92,;18.93,-18.69,;20.26,-16.37,;21.6,-15.61,;21.6,-14.06,)| Show InChI InChI=1S/C18H19N7O2/c1-9-14(16(24(4)22-9)12-6-7-13(27-5)19-8-12)17-20-10(2)15-18(26)21-11(3)23-25(15)17/h6-8H,1-5H3,(H,21,23,26) | PDB
UniProtKB/SwissProt
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| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human PDE2A1 using 3',5'-[3H]cGMP as substrate after 30 mins by scintillation proximity assay |
J Med Chem 61: 3626-3640 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00116 BindingDB Entry DOI: 10.7270/Q2BV7K2X |
More data for this Ligand-Target Pair | |
Cytochrome P450 2J2
(Homo sapiens (Human)) | BDBM50423541
(DANAZOL | Danocrine | WIN-17757)Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=Cc5oncc5C[C@]34C)[C@@H]1CC[C@@]2(O)C#C |r,t:8| Show InChI InChI=1S/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16-,17+,18+,20+,21+,22+/m1/s1 | UniProtKB/SwissProt
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of recombinant CYP2J2 (unknown origin)-mediated astemizole O-demethylation preincubated for 30 mins followed by substrate addition in pres... |
Drug Metab Dispos 40: 943-51 (2012)
Article DOI: 10.1124/dmd.111.043505 BindingDB Entry DOI: 10.7270/Q2PN97D2 |
More data for this Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50263735
(CHEMBL4075381)Show SMILES Cc1nn(C)c(c1-c1nc(C)c2n1nc(C)[nH]c2=O)-c1ccc(c(CO)c1)C(F)(F)F |(22.5,-11.05,;21.25,-11.96,;21.24,-13.49,;19.77,-13.97,;19.29,-15.43,;18.87,-12.72,;19.78,-11.47,;19.31,-10.01,;20.21,-8.77,;19.32,-7.51,;19.79,-6.05,;17.85,-7.99,;17.84,-9.52,;16.5,-10.3,;15.17,-9.52,;13.84,-10.29,;15.18,-7.98,;16.51,-7.21,;16.52,-5.67,;17.33,-12.72,;16.56,-11.38,;15.02,-11.38,;14.25,-12.71,;15.02,-14.04,;14.24,-15.38,;12.7,-15.37,;16.55,-14.05,;12.7,-12.7,;12.69,-14.23,;11.36,-13.46,;11.94,-11.37,)| Show InChI InChI=1S/C20H19F3N6O2/c1-9-15(18-24-10(2)16-19(31)25-11(3)27-29(16)18)17(28(4)26-9)12-5-6-14(20(21,22)23)13(7-12)8-30/h5-7,30H,8H2,1-4H3,(H,25,27,31) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human PDE2A1 using 3',5'-[3H]cGMP as substrate after 30 mins by scintillation proximity assay |
J Med Chem 61: 3626-3640 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00116 BindingDB Entry DOI: 10.7270/Q2BV7K2X |
More data for this Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM27947
(2-[4-(4-{4-amino-7,7-dimethyl-7H-pyrimido[4,5-b][1...)Show SMILES CC1(C)Oc2ncnc(N)c2N=C1c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:19.21,wD:22.25,c:12,(1.74,.99,;.97,2.32,;2.46,2.72,;-.37,1.55,;-1.7,2.32,;-3.03,1.55,;-4.37,2.32,;-4.37,3.86,;-3.03,4.63,;-3.03,6.17,;-1.7,3.86,;-.37,4.63,;.97,3.86,;2.3,4.63,;2.3,6.17,;3.63,6.94,;4.97,6.17,;4.97,4.63,;3.63,3.86,;6.19,6.75,;6.19,8.3,;7.53,9.07,;8.86,8.3,;10.19,9.07,;11.53,8.3,;12.86,9.07,;11.53,6.76,;8.86,6.75,;7.53,5.98,)| Show InChI InChI=1S/C22H26N4O3/c1-22(2)19(26-18-20(23)24-12-25-21(18)29-22)16-9-7-15(8-10-16)14-5-3-13(4-6-14)11-17(27)28/h7-10,12-14H,3-6,11H2,1-2H3,(H,27,28)(H2,23,24,25)/t13-,14- | PDB
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TBA
Curated by ChEMBL
| Assay Description Inhibition of DGAT1-mediated triglyceride synthesis in human HT-29 cells using [3H]glycerol as substrate after 6 hrs by beta counting |
ACS Med Chem Lett 2: 407-412 (2011)
Article DOI: 10.1021/ml200051p BindingDB Entry DOI: 10.7270/Q2MW2HM6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50263788
(CHEMBL4064040)Show SMILES COc1ccc(Cc2nn3c(nc(C)c3c(=O)[nH]2)[C@@H](CCC(=O)c2ccccc2)[C@H](C)O)cc1OC |r| Show InChI InChI=1S/C27H30N4O5/c1-16-25-27(34)29-24(15-18-10-13-22(35-3)23(14-18)36-4)30-31(25)26(28-16)20(17(2)32)11-12-21(33)19-8-6-5-7-9-19/h5-10,13-14,17,20,32H,11-12,15H2,1-4H3,(H,29,30,34)/t17-,20-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human PDE2A1 using 3',5'-[3H]cGMP as substrate after 30 mins by scintillation proximity assay |
J Med Chem 61: 3626-3640 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00116 BindingDB Entry DOI: 10.7270/Q2BV7K2X |
More data for this Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50263780
(CHEMBL4093549)Show SMILES Cc1nn(C)c(c1-c1nc(CO)c2n1nc(C)[nH]c2=O)-c1ccc(cn1)C(F)(F)F |(26.28,-13.87,;25.04,-14.78,;25.04,-16.32,;23.57,-16.79,;23.1,-18.25,;22.67,-15.54,;23.58,-14.3,;23.1,-12.83,;24.01,-11.59,;23.11,-10.34,;23.59,-8.88,;22.57,-7.73,;21.64,-10.82,;21.64,-12.36,;20.31,-13.12,;18.98,-12.35,;17.65,-13.12,;18.98,-10.81,;20.31,-10.05,;20.31,-8.51,;21.13,-15.54,;20.36,-16.87,;18.82,-16.87,;18.06,-15.53,;18.83,-14.2,;20.37,-14.2,;16.51,-15.53,;16.51,-17.07,;15.18,-16.29,;15.75,-14.19,)| Show InChI InChI=1S/C18H16F3N7O2/c1-8-13(16-24-12(7-29)15-17(30)23-9(2)26-28(15)16)14(27(3)25-8)11-5-4-10(6-22-11)18(19,20)21/h4-6,29H,7H2,1-3H3,(H,23,26,30) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human PDE2A1 using 3',5'-[3H]cGMP as substrate after 30 mins by scintillation proximity assay |
J Med Chem 61: 3626-3640 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00116 BindingDB Entry DOI: 10.7270/Q2BV7K2X |
More data for this Ligand-Target Pair | |
Cytochrome P450 2J2
(Homo sapiens (Human)) | BDBM50423541
(DANAZOL | Danocrine | WIN-17757)Show SMILES C[C@]12CC[C@H]3[C@@H](CCC4=Cc5oncc5C[C@]34C)[C@@H]1CC[C@@]2(O)C#C |r,t:8| Show InChI InChI=1S/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16-,17+,18+,20+,21+,22+/m1/s1 | UniProtKB/SwissProt
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Similars
| Article PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of recombinant CYP2J2 (unknown origin)-mediated astemizole O-demethylation in presence of NADPH |
Drug Metab Dispos 40: 943-51 (2012)
Article DOI: 10.1124/dmd.111.043505 BindingDB Entry DOI: 10.7270/Q2PN97D2 |
More data for this Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50355142
(CHEMBL1835919)Show SMILES Nc1ncnc2OCCN(c3ccc(cc3)[C@H]3CC[C@H](CC(O)=O)CC3)C(=O)c12 |r,wU:16.16,wD:19.20,(-8.41,-1.48,;-8.4,-3.02,;-9.73,-3.79,;-9.73,-5.34,;-8.4,-6.11,;-7.06,-5.34,;-5.73,-6.38,;-4.15,-6.01,;-3.48,-4.52,;-4.27,-3.04,;-3.51,-1.7,;-1.98,-1.68,;-1.22,-.34,;-2.01,.98,;-3.56,.96,;-4.3,-.39,;-1.26,2.32,;-2.05,3.64,;-1.29,4.98,;.25,5,;1.01,6.34,;2.55,6.36,;3.33,5.03,;3.3,7.7,;1.03,3.67,;.28,2.34,;-5.83,-2.78,;-6.22,-1.29,;-7.07,-3.79,)| Show InChI InChI=1S/C21H24N4O4/c22-19-18-20(24-12-23-19)29-10-9-25(21(18)28)16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-17(26)27/h5-8,12-14H,1-4,9-11H2,(H,26,27)(H2,22,23,24)/t13-,14- | PDB
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TBA
Curated by ChEMBL
| Assay Description Inhibition of full length human microsomal DGAT-1 expressed in baculovirus infected insect Sf9 cells using [14C]decanoylCoA as substrate after 1.5 hr... |
ACS Med Chem Lett 2: 407-412 (2011)
Article DOI: 10.1021/ml200051p BindingDB Entry DOI: 10.7270/Q2MW2HM6 |
More data for this Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50263776
(CHEMBL4095982)Show SMILES COc1ccc(cn1)-c1c(c(C)nn1C)-c1nc(CO)c2n1nc(C)[nH]c2=O |(15.41,-17.93,;16.18,-16.6,;17.72,-16.58,;18.48,-15.24,;20.02,-15.24,;20.8,-16.56,;20.04,-17.9,;18.49,-17.91,;22.34,-16.55,;23.24,-15.3,;24.71,-15.77,;25.95,-14.85,;24.72,-17.31,;23.26,-17.79,;22.79,-19.26,;22.75,-13.84,;23.64,-12.58,;22.73,-11.34,;23.2,-9.87,;22.16,-8.74,;21.27,-11.83,;21.28,-13.37,;19.95,-14.15,;18.61,-13.39,;17.29,-14.17,;18.61,-11.85,;19.94,-11.07,;19.92,-9.53,)| Show InChI InChI=1S/C18H19N7O3/c1-9-14(15(24(3)22-9)11-5-6-13(28-4)19-7-11)17-21-12(8-26)16-18(27)20-10(2)23-25(16)17/h5-7,26H,8H2,1-4H3,(H,20,23,27) | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human PDE2A1 using 3',5'-[3H]cGMP as substrate after 30 mins by scintillation proximity assay |
J Med Chem 61: 3626-3640 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00116 BindingDB Entry DOI: 10.7270/Q2BV7K2X |
More data for this Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50263734
(CHEMBL4066430)Show SMILES Cc1nn(C)c(c1-c1nc(CO)c2n1nc(C)[nH]c2=O)-c1ccc(c(CO)c1)C(F)(F)F |(23.43,-12.39,;22.18,-13.29,;22.18,-14.83,;20.71,-15.3,;20.23,-16.77,;19.81,-14.05,;20.71,-12.81,;20.24,-11.35,;21.15,-10.1,;20.25,-8.85,;20.73,-7.38,;19.7,-6.24,;18.78,-9.32,;18.77,-10.86,;17.44,-11.63,;16.11,-10.86,;14.77,-11.62,;16.11,-9.31,;17.45,-8.55,;17.46,-7.01,;18.26,-14.06,;17.5,-12.72,;15.95,-12.71,;15.18,-14.04,;15.95,-15.38,;15.17,-16.72,;13.63,-16.71,;17.49,-15.39,;13.63,-14.03,;13.62,-15.57,;12.3,-14.8,;12.87,-12.7,)| Show InChI InChI=1S/C20H19F3N6O3/c1-9-15(18-25-14(8-31)17-19(32)24-10(2)27-29(17)18)16(28(3)26-9)11-4-5-13(20(21,22)23)12(6-11)7-30/h4-6,30-31H,7-8H2,1-3H3,(H,24,27,32) | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human PDE2A1 using 3',5'-[3H]cGMP as substrate after 30 mins by scintillation proximity assay |
J Med Chem 61: 3626-3640 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00116 BindingDB Entry DOI: 10.7270/Q2BV7K2X |
More data for this Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50263754
(CHEMBL4100565)Show SMILES Cc1nc(-c2c(CO)nn(C)c2-c2ccc(Cl)cc2)n2nc(C)[nH]c(=O)c12 |(26.26,-9.92,;25.78,-11.39,;26.7,-12.62,;25.8,-13.88,;26.28,-15.34,;27.74,-15.81,;28.99,-14.9,;30.4,-15.52,;27.75,-17.35,;26.29,-17.83,;25.82,-19.3,;25.38,-16.59,;23.84,-16.59,;23.06,-15.26,;21.52,-15.27,;20.76,-16.6,;19.22,-16.61,;21.53,-17.93,;23.07,-17.93,;24.33,-13.41,;23,-14.18,;21.67,-13.41,;20.33,-14.19,;21.66,-11.87,;22.99,-11.1,;22.98,-9.56,;24.32,-11.87,)| Show InChI InChI=1S/C18H17ClN6O2/c1-9-15-18(27)21-10(2)22-25(15)17(20-9)14-13(8-26)23-24(3)16(14)11-4-6-12(19)7-5-11/h4-7,26H,8H2,1-3H3,(H,21,22,27) | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human PDE2A1 using 3',5'-[3H]cGMP as substrate after 30 mins by scintillation proximity assay |
J Med Chem 61: 3626-3640 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00116 BindingDB Entry DOI: 10.7270/Q2BV7K2X |
More data for this Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50263790
(CHEMBL4103493)Show SMILES Cc1nc(-c2c(nn(C)c2-c2ccc(c(C)c2)C(F)(F)F)C(O)=O)n2nc(C)[nH]c(=O)c12 |(19.76,-6.04,;19.28,-7.5,;20.18,-8.75,;19.27,-9.99,;19.74,-11.45,;21.21,-11.94,;21.2,-13.47,;19.73,-13.94,;19.26,-15.41,;18.84,-12.69,;17.3,-12.7,;16.53,-11.36,;14.99,-11.36,;14.22,-12.68,;14.99,-14.02,;14.21,-15.35,;16.52,-14.02,;12.67,-12.67,;12.67,-14.21,;11.34,-13.43,;11.92,-11.35,;22.46,-11.03,;23.87,-11.66,;22.3,-9.49,;17.81,-9.51,;16.47,-10.28,;15.15,-9.5,;13.81,-10.27,;15.15,-7.96,;16.49,-7.2,;16.49,-5.66,;17.81,-7.97,)| Show InChI InChI=1S/C20H17F3N6O3/c1-8-7-11(5-6-12(8)20(21,22)23)16-13(14(19(31)32)27-28(16)4)17-24-9(2)15-18(30)25-10(3)26-29(15)17/h5-7H,1-4H3,(H,31,32)(H,25,26,30) | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of human PDE2A1 using 3',5'-[3H]cGMP as substrate after 30 mins by scintillation proximity assay |
J Med Chem 61: 3626-3640 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00116 BindingDB Entry DOI: 10.7270/Q2BV7K2X |
More data for this Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50540317
(CHEMBL4635775)Show SMILES CC(O)c1ccc(cc1)-c1c(cnn1C)-c1nn(C)c2ncnc(N3CCC3)c12 Show InChI InChI=1S/C21H23N7O/c1-13(29)14-5-7-15(8-6-14)19-16(11-24-26(19)2)18-17-20(27(3)25-18)22-12-23-21(17)28-9-4-10-28/h5-8,11-13,29H,4,9-10H2,1-3H3 | PDB
UniProtKB/SwissProt
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| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Inhibition of PDE2 (unknown origin) |
J Med Chem 63: 6387-6406 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01840 BindingDB Entry DOI: 10.7270/Q2X06BK1 |
More data for this Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Homo sapiens (Human)) | BDBM50363956
(CHEMBL1952025)Show SMILES Nc1ncnc2CCN(C(=O)c12)c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:18.20,wD:21.24,(26.2,1.37,;26.2,-.17,;24.87,-.94,;24.87,-2.48,;26.21,-3.25,;27.53,-2.49,;28.87,-3.26,;30.21,-2.49,;30.22,-.94,;28.87,-.15,;28.87,1.38,;27.54,-.93,;31.55,-.18,;32.88,-.95,;34.21,-.19,;34.22,1.35,;32.88,2.13,;31.55,1.36,;35.56,2.12,;35.56,3.65,;36.9,4.42,;38.23,3.64,;39.57,4.4,;40.89,3.63,;40.89,2.09,;42.23,4.39,;38.22,2.1,;36.89,1.34,)| Show InChI InChI=1S/C21H24N4O3/c22-20-19-17(23-12-24-20)9-10-25(21(19)28)16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-18(26)27/h5-8,12-14H,1-4,9-11H2,(H,26,27)(H2,22,23,24)/t13-,14- | PDB
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TBA
Curated by ChEMBL
| Assay Description Inhibition of full length human microsomal DGAT-1 expressed in baculovirus infected insect Sf9 cells using [14C]decanoylCoA as substrate after 1.5 hr... |
ACS Med Chem Lett 2: 407-412 (2011)
Article DOI: 10.1021/ml200051p BindingDB Entry DOI: 10.7270/Q2MW2HM6 |
More data for this Ligand-Target Pair | |
Diacylglycerol O-acyltransferase 1
(Rattus norvegicus (rat)) | BDBM50355142
(CHEMBL1835919)Show SMILES Nc1ncnc2OCCN(c3ccc(cc3)[C@H]3CC[C@H](CC(O)=O)CC3)C(=O)c12 |r,wU:16.16,wD:19.20,(-8.41,-1.48,;-8.4,-3.02,;-9.73,-3.79,;-9.73,-5.34,;-8.4,-6.11,;-7.06,-5.34,;-5.73,-6.38,;-4.15,-6.01,;-3.48,-4.52,;-4.27,-3.04,;-3.51,-1.7,;-1.98,-1.68,;-1.22,-.34,;-2.01,.98,;-3.56,.96,;-4.3,-.39,;-1.26,2.32,;-2.05,3.64,;-1.29,4.98,;.25,5,;1.01,6.34,;2.55,6.36,;3.33,5.03,;3.3,7.7,;1.03,3.67,;.28,2.34,;-5.83,-2.78,;-6.22,-1.29,;-7.07,-3.79,)| Show InChI InChI=1S/C21H24N4O4/c22-19-18-20(24-12-23-19)29-10-9-25(21(18)28)16-7-5-15(6-8-16)14-3-1-13(2-4-14)11-17(26)27/h5-8,12-14H,1-4,9-11H2,(H,26,27)(H2,22,23,24)/t13-,14- | KEGG
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TBA
Curated by ChEMBL
| Assay Description Inhibition of rat DGAT-1 |
ACS Med Chem Lett 2: 407-412 (2011)
Article DOI: 10.1021/ml200051p BindingDB Entry DOI: 10.7270/Q2MW2HM6 |
More data for this Ligand-Target Pair | |