Reaction Details |
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Target | Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B |
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Ligand | BDBM14777 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_156011 (CHEMBL765422) |
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IC50 | >10000±n/a nM |
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Citation | Daugan, A; Grondin, P; Ruault, C; Le Monnier de Gouville, AC; Coste, H; Linget, JM; Kirilovsky, J; Hyafil, F; Labaudinière, R The discovery of tadalafil: a novel and highly selective PDE5 inhibitor. 2: 2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione analogues. J Med Chem46:4533-42 (2003) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B |
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Name: | Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B |
Synonyms: | Phosphodiesterase 1 |
Type: | n/a |
Mol. Mass.: | n/a |
Description: | ASSAY_ID of ChEMBL is 156011 |
Components: | This complex has 2 components. |
Component 1 |
Name: | Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B |
Synonyms: | 63 kDa Cam-PDE | Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B | Cam-PDE 1B | PDE1B | PDE1B1 | PDE1B_BOVIN |
Type: | PROTEIN |
Mol. Mass.: | 60991.90 |
Organism: | Bos taurus |
Description: | ChEMBL_104913 |
Residue: | 534 |
Sequence: | MELSPRSPPEMLESDCPSPLELKSAPSKKMWIKLRSLLRYMVKQLENGEVNIEELKKNLE
YTASLLEAVYIDETRQILDTEDELQELRSDAVPSEVRDWLASTFTQQTRAKGPSEEKPKF
RSIVHAVQAGIFVERMFRRTYTSVGPTYSTAVLNCLKNVDLWCFDVFSLNRAADDHALRT
IVFELLTRHNLISRFKIPTVFLMTFLDALETGYGKYKNPYHNQIHAADVTQTVHCFLLRT
GMVHCLSEIEVLAIIFAAAIHDYEHTGTTNSFHIQTKSECAILYNDRSVLENHHISSVFR
MMQDDEMNIFINLTKDEFVELRALVIEMVLATDMSCHFQQVKSMKTALQQLERIDKSKAL
SLLLHAADISHPTKQWSVHSRWTKALMEEFFRQGDKEAELGLPFSPLCDRTSTLVAQSQI
GFIDFIVEPTFSVLTDVAEKSVQPTGDDDSKSKNQPSFQWRQPSLDVEVGDPNPDVVSFR
STWTKYIQENKQKWKERAASGITNQMSIDELSPCEEEAPASPAEDEHNQNGNLD
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Component 2 |
Name: | Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A |
Synonyms: | Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A | Heart phosphodiesterase | PDE1A | PDE1A_BOVIN | Phosphodiesterase 1 | Phosphodiesterase 1A |
Type: | Enzyme Catalytic Domain |
Mol. Mass.: | 60835.05 |
Organism: | BOVINE |
Description: | Phosphodiesterase 1 0 BOVINE::P14100 |
Residue: | 530 |
Sequence: | MGSTATETEELENTTFKYLIGEQTEKMWQRLKGILRCLVKQLEKGDVNVIDLKKNIEYAA
SVLEAVYIDETRRLLDTDDELSDIQSDSVPSEVRDWLASTFTRKMGMMKKKSEEKPRFRS
IVHVVQAGIFVERMYRKSYHMVGLAYPEAVIVTLKDVDKWSFDVFALNEASGEHSLKFMI
YELFTRYDLINRFKIPVSCLIAFAEALEVGYSKYKNPYHNLIHAADVTQTVHYIMLHTGI
MHWLTELEILAMVFAAAIHDYEHTGTTNNFHIQTRSDVAILYNDRSVLENHHVSAAYRLM
QEEEMNVLINLSKDDWRDLRNLVIEMVLSTDMSGHFQQIKNIRNSLQQPEGLDKAKTMSL
ILHAADISHPAKSWKLHHRWTMALMEEFFLQGDKEAELGLPFSPLCDRKSTMVAQSQIGF
IDFIVEPTFSLLTDSTEKIIIPLIEEDSKTKTPSYGASRRSNMKGTTNDGTYSPDYSLAS
VDLKSFKNSLVDIIQQNKERWKELAAQGEPDPHKNSDLVNAEEKHAETHS
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BDBM14777 |
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n/a |
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Name | BDBM14777 |
Synonyms: | (2R,8R)-2-(2H-1,3-benzodioxol-5-yl)-6-methyl-3,6,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,16}]heptadeca-1(10),11(16),12,14-tetraene-4,7-dione | (6R,12aR)-6-(1,3-benzodioxol-5-yl)-2-methyl-2,3,6,7,12,12a-hexahydropyrazino[1,2,1,6]pyrido[3,4-b]indole-1,4-dione | CHEMBL779 | Cialis | GF 196960 | Tadalafil |
Type | Small organic molecule |
Emp. Form. | C22H19N3O4 |
Mol. Mass. | 389.404 |
SMILES | [H][C@]12Cc3c([nH]c4ccccc34)[C@H](N1C(=O)CN(C)C2=O)c1ccc2OCOc2c1 |r| |
Structure |
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