Reaction Details |
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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 | BDBM50100652 |
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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 |
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 |
Type: | n/a |
Mol. Mass.: | n/a |
Description: | ASSAY_ID of ChEMBL is 154419 |
Components: | This complex has 3 components. |
Component 1 |
Name: | Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C |
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 |
Type: | PROTEIN |
Mol. Mass.: | 86691.70 |
Organism: | Rattus norvegicus |
Description: | ChEMBL_105015 |
Residue: | 768 |
Sequence: | MTDTSHKKEGFKKCRSATFSIDGYSFTIVANEAGDKNARPLARFSRSKSQNCLWNSLIDG
LTGNVKEKPRPTIVQDTRPPEEILADELPQLDSPEALVKTSFRLRSLVKQLERGEASVVD
LKKNLEYAATVLESVYIDETRRLLDTEDELSDIQSDAVPSEVRDWLASTFTRQMGMMLRR
SDEKPRFKSIVHAVQAGIFVERMYRRTSNMVGLSYPPAVIDALKDVDTWSFDVFSLNEAS
GDHALKFIFYELLTRYDLISRFKIPISALVSFVEALEVGYSKHKNPYHNLMHAADVTQTV
HYLLYKTGVANWLTELEIFAIIFSAAIHDYEHTGTTNNFHIQTRSDPAILYNDRSVLENH
HLSAAYRLLQEDEEMNILVNLSKDDWREFRTLVIEMVMATDMSCHFQQIKAMKTALQQPE
AIEKPKALSLMLHTADISHPAKAWDLHHRWTMSLLEEFFRQGDREAELGLPFSPLCDRKS
TMVAQSQVGFIDFIVEPTFTVLTDMTEKIVSPLIDETSQTGGTGQRRSSLNSINSSDAKR
SGVKSSGSEGSAPINNSVIPVDYKSFKATWTEVVQINRERWRAKVPKEEKAKKEAEEKAR
LAAEEKQKEMEAKSQAEQGTTSKAEKKTSGETKGQVNGTRTSKGDNPRGKNSKGDKAGEK
QQNGDLKDGKNKADKKDHSNTGNESKKADGTKKRSHGSPAPSTSSTSRLTLPVIKPPLRH
FKRPAYASSSYAPSVPKKTDDHPVRYKMLDQRIKIKKIQNISHHWNKK
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Component 2 |
Name: | Phosphodiesterase |
Synonyms: | Pde1a | Phosphodiesterase 1A |
Type: | PROTEIN |
Mol. Mass.: | 61851.57 |
Organism: | Rattus norvegicus |
Description: | ChEMBL_105015 |
Residue: | 542 |
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 |
Synonyms: | 63 kDa Cam-PDE | Cam-PDE 1B | PDE1B_RAT | Pde1b | Pde1b1 | Phosphodiesterase 1 |
Type: | PROTEIN |
Mol. Mass.: | 61248.78 |
Organism: | Rattus norvegicus |
Description: | ChEMBL_105015 |
Residue: | 535 |
Sequence: | MELSPRSPPEMLESDCPSPLELKSAPSKKMWIKLRSLLRYMVKQLENGEVNIEELKKNLE
YTASLLEAVYIDETRQILDTEDELRELRSDAVPSEVRDWLASTFTQQTRAKGRRAEEKPK
FRSIVHAVQAGIFVERMFRRTYTAVGPTYSTAVHNCLKNLDVWCFDVFSLNRAADDHALR
TIVFELLTRHSLISRFKIPTVFLMSFLEALETGYGKYKNPYHNQIHAADVTQTVHCFLLR
TGMVHCLSEIEVLAIIFAAAIHDYEHTGTTNSFHIQTKSECAILYNDRSVLENHHISSVF
RMMQDDEMNIFINLTKDEFVELRALVIEMVLATDMSCHFQQVKTMKTALQQLERIDKSKA
LSLLLHAADISHPTKQWSVHSRWTKALMEEFFRQGDKEAELGLPFSPLCDRTSTLVAQSQ
IGFIDFIVEPTFSVLTDVAEKSVQPLTDDDSKSKSQPSFQWRQPSLDVDVGDPNPDVVSF
RSTWTKYIQENKQKWKERAASGITNQMSIDELSPCEEEAPSSPAEDEHNQNGNLD
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BDBM50100652 |
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n/a |
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Name | BDBM50100652 |
Synonyms: | 6,7-Dimethoxy-1-oxo-2-piperidin-1-yl-4-(3,4,5-trimethoxy-phenyl)-1,2-dihydro-isoquinoline-3-carboxylic acid methyl ester | CHEMBL72875 |
Type | Small organic molecule |
Emp. Form. | C27H32N2O8 |
Mol. Mass. | 512.5516 |
SMILES | COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2cc(OC)c(OC)cc2c(=O)n1N1CCCCC1 |
Structure |
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