| Reaction Details |
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 | Report a problem with these data |
| Target | Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B/Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C/Phosphodiesterase |
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| Ligand | BDBM50100682 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_154419 (CHEMBL758018) |
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| IC50 | >10000±n/a nM |
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| Citation |  Ukita, T; Nakamura, Y; Kubo, A; Yamamoto, Y; Moritani, Y; Saruta, K; Higashijima, T; Kotera, J; Takagi, M; Kikkawa, K; Omori, K Novel, potent, and selective phosphodiesterase 5 inhibitors: synthesis and biological activities of a series of 4-aryl-1-isoquinolinone derivatives. J Med Chem44:2204-18 (2001) [PubMed] |
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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 1B/Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C/Phosphodiesterase |
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| Name: | Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B/Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C/Phosphodiesterase |
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| Synonyms: | Dual specificity Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C/Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B/Phosphodiesterase | Phosphodiesterase 1 |
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| Type: | n/a |
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| Mol. Mass.: | n/a |
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| Description: | ASSAY_ID of ChEMBL is 154419 |
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| Components: | This complex has 3 components. |
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| Component 1 |
| Name: | Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C |
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| Synonyms: | Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C | Cam-PDE 1C | Dual specificity Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C | PDE1C_RAT | Pde1c | Pde1c2 |
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| Type: | PROTEIN |
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| Mol. Mass.: | 86691.70 |
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| Organism: | Rattus norvegicus |
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| Description: | ChEMBL_105015 |
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| Residue: | 768 |
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| Sequence: | MTDTSHKKEGFKKCRSATFSIDGYSFTIVANEAGDKNARPLARFSRSKSQNCLWNSLIDG
LTGNVKEKPRPTIVQDTRPPEEILADELPQLDSPEALVKTSFRLRSLVKQLERGEASVVD
LKKNLEYAATVLESVYIDETRRLLDTEDELSDIQSDAVPSEVRDWLASTFTRQMGMMLRR
SDEKPRFKSIVHAVQAGIFVERMYRRTSNMVGLSYPPAVIDALKDVDTWSFDVFSLNEAS
GDHALKFIFYELLTRYDLISRFKIPISALVSFVEALEVGYSKHKNPYHNLMHAADVTQTV
HYLLYKTGVANWLTELEIFAIIFSAAIHDYEHTGTTNNFHIQTRSDPAILYNDRSVLENH
HLSAAYRLLQEDEEMNILVNLSKDDWREFRTLVIEMVMATDMSCHFQQIKAMKTALQQPE
AIEKPKALSLMLHTADISHPAKAWDLHHRWTMSLLEEFFRQGDREAELGLPFSPLCDRKS
TMVAQSQVGFIDFIVEPTFTVLTDMTEKIVSPLIDETSQTGGTGQRRSSLNSINSSDAKR
SGVKSSGSEGSAPINNSVIPVDYKSFKATWTEVVQINRERWRAKVPKEEKAKKEAEEKAR
LAAEEKQKEMEAKSQAEQGTTSKAEKKTSGETKGQVNGTRTSKGDNPRGKNSKGDKAGEK
QQNGDLKDGKNKADKKDHSNTGNESKKADGTKKRSHGSPAPSTSSTSRLTLPVIKPPLRH
FKRPAYASSSYAPSVPKKTDDHPVRYKMLDQRIKIKKIQNISHHWNKK
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| Component 2 |
| Name: | Phosphodiesterase |
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| Synonyms: | Pde1a | Phosphodiesterase 1A |
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| Type: | PROTEIN |
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| Mol. Mass.: | 61851.57 |
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| Organism: | Rattus norvegicus |
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| Description: | ChEMBL_105015 |
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| Residue: | 542 |
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| Sequence: | MGSTDTDIEELENATYKYLIGEQTEKMWQRLKGILRCLVKQLEKGDVNVVDLKKNIEYAA
SVLEAVYIDETRRLLDTEDELSDIQTDSVPSEVRDWLASTFTRKMGMTKKKPEEKPKFRS
IVHAVQAGIFVERMYRKNYHMVGLTYPAAVIVTLKEVDKWSFDVFALNEASGEHSLKFMI
YELFTSNDLINRFKIPVSCLIAFAEALEVGYSKHKNPYHNLVHAADVTQTVHYIMLHTGI
MHWLTELEILAMVFAAAVHDYEHTGTTNNFHIQTRSDVAILYNDRSVLENHHVSAAYRLM
QEEEMNILVNLSKDDWRDLRNLVIETVLATDMSGHFQQIKNIRSSLQQPEGIDRAKTMSL
ILHAADISHPAKTWKLHYRWTMALMEEFFLQGDKEAELGLPFSPLCDRKSTMVAQSQIGF
IDFIVEPTFSLLTDSTEKIVIPLIEEASKPESSNYGASSSSTMIGFHVADALRRSNTKGC
MSDGTYAPDYSLSAVDLKSFKNNLVDIIQQNKERWKELAAQGELDLHKNSEDLEEKHADT
HP
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| Component 3 |
| Name: | Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B |
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| Synonyms: | 63 kDa Cam-PDE | Cam-PDE 1B | PDE1B_RAT | Pde1b | Pde1b1 | Phosphodiesterase 1 |
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| Type: | PROTEIN |
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| Mol. Mass.: | 61248.78 |
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| Organism: | Rattus norvegicus |
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| Description: | ChEMBL_105015 |
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| Residue: | 535 |
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| Sequence: | MELSPRSPPEMLESDCPSPLELKSAPSKKMWIKLRSLLRYMVKQLENGEVNIEELKKNLE
YTASLLEAVYIDETRQILDTEDELRELRSDAVPSEVRDWLASTFTQQTRAKGRRAEEKPK
FRSIVHAVQAGIFVERMFRRTYTAVGPTYSTAVHNCLKNLDVWCFDVFSLNRAADDHALR
TIVFELLTRHSLISRFKIPTVFLMSFLEALETGYGKYKNPYHNQIHAADVTQTVHCFLLR
TGMVHCLSEIEVLAIIFAAAIHDYEHTGTTNSFHIQTKSECAILYNDRSVLENHHISSVF
RMMQDDEMNIFINLTKDEFVELRALVIEMVLATDMSCHFQQVKTMKTALQQLERIDKSKA
LSLLLHAADISHPTKQWSVHSRWTKALMEEFFRQGDKEAELGLPFSPLCDRTSTLVAQSQ
IGFIDFIVEPTFSVLTDVAEKSVQPLTDDDSKSKSQPSFQWRQPSLDVDVGDPNPDVVSF
RSTWTKYIQENKQKWKERAASGITNQMSIDELSPCEEEAPSSPAEDEHNQNGNLD
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| BDBM50100682 |
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| n/a |
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| Name | BDBM50100682 |
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| Synonyms: | 2-Cyclohexyl-6,7-dimethoxy-1-oxo-4-(3,4,5-trimethoxy-phenyl)-1,2-dihydro-isoquinoline-3-carboxylic acid methyl ester | CHEMBL71478 |
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| Type | Small organic molecule |
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| Emp. Form. | C28H33NO8 |
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| Mol. Mass. | 511.5635 |
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| SMILES | COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2cc(OC)c(OC)cc2c(=O)n1C1CCCCC1 |
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| Structure | 
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