| Reaction Details |
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 | Report a problem with these data |
| Target | Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B/1C |
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| Ligand | BDBM50525060 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1895402 (CHEMBL4397437) |
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| IC50 | 3640±n/a nM |
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| Citation |  Wang, Z; Jiang, X; Zhang, X; Tian, G; Yang, R; Wu, J; Zou, X; Liu, Z; Yang, X; Wu, C; Shi, J; Li, J; Suo, J; Wang, Y; Zhang, R; Xu, Z; Gong, X; He, Y; Zhu, W; Aisa, HA; Jiang, H; Xu, Y; Shen, J Pharmacokinetics-Driven Optimization of 4(3 H)-Pyrimidinones as Phosphodiesterase Type 5 Inhibitors Leading to TPN171, a Clinical Candidate for the Treatment of Pulmonary Arterial Hypertension. J Med Chem62:4979-4990 (2019) [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/1C |
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| Name: | Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B/1C |
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| Synonyms: | Phosphodiesterase 1 |
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| Type: | n/a |
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| Mol. Mass.: | n/a |
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| Description: | Combinations of UniProts |
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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: | 3',5'-cyclic-AMP phosphodiesterase | 3',5'-cyclic-GMP phosphodiesterase | Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C | Cam-PDE 1C | Hcam3 | PDE1C | PDE1C_HUMAN | Phosphodiesterase 1 | Phosphodiesterase 1C | Phosphodiesterase, PDE1/PDE5 |
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| Type: | Enzyme |
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| Mol. Mass.: | 80778.58 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Q14123 |
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| Residue: | 709 |
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| Sequence: | MESPTKEIEEFESNSLKYLQPEQIEKIWLRLRGLRKYKKTSQRLRSLVKQLERGEASVVD
LKKNLEYAATVLESVYIDETRRLLDTEDELSDIQSDAVPSEVRDWLASTFTRQMGMMLRR
SDEKPRFKSIVHAVQAGIFVERMYRRTSNMVGLSYPPAVIEALKDVDKWSFDVFSLNEAS
GDHALKFIFYELLTRYDLISRFKIPISALVSFVEALEVGYSKHKNPYHNLMHAADVTQTV
HYLLYKTGVANWLTELEIFAIIFSAAIHDYEHTGTTNNFHIQTRSDPAILYNDRSVLENH
HLSAAYRLLQDDEEMNILINLSKDDWREFRTLVIEMVMATDMSCHFQQIKAMKTALQQPE
AIEKPKALSLMLHTADISHPAKAWDLHHRWTMSLLEEFFRQGDREAELGLPFSPLCDRKS
TMVAQSQVGFIDFIVEPTFTVLTDMTEKIVSPLIDETSQTGGTGQRRSSLNSISSSDAKR
SGVKTSGSEGSAPINNSVISVDYKSFKATWTEVVHINRERWRAKVPKEEKAKKEAEEKAR
LAAEEQQKEMEAKSQAEEGASGKAEKKTSGETKNQVNGTRANKSDNPRGKNSKAEKSSGE
QQQNGDFKDGKNKTDKKDHSNIGNDSKKTDGTKQRSHGSPAPSTSSTCRLTLPVIKPPLR
HFKRPAYASSSYAPSVSKKTDEHPARYKMLDQRIKMKKIQNISHNWNRK
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| Component 2 |
| Name: | Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A |
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| Synonyms: | 61 kDa Cam-PDE | Calcium/calmodulin-dependent 3',5'-cyclic phosphodiesterase 1A | Cam-PDE 1A | PDE1A | PDE1A_HUMAN | hCam-1 |
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| Type: | Protein |
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| Mol. Mass.: | 61245.69 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P54750 |
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| Residue: | 535 |
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| Sequence: | MGSSATEIEELENTTFKYLTGEQTEKMWQRLKGILRCLVKQLERGDVNVVDLKKNIEYAA
SVLEAVYIDETRRLLDTEDELSDIQTDSVPSEVRDWLASTFTRKMGMTKKKPEEKPKFRS
IVHAVQAGIFVERMYRKTYHMVGLAYPAAVIVTLKDVDKWSFDVFALNEASGEHSLKFMI
YELFTRYDLINRFKIPVSCLITFAEALEVGYSKYKNPYHNLIHAADVTQTVHYIMLHTGI
MHWLTELEILAMVFAAAIHDYEHTGTTNNFHIQTRSDVAILYNDRSVLENHHVSAAYRLM
QEEEMNILINLSKDDWRDLRNLVIEMVLSTDMSGHFQQIKNIRNSLQQPEGIDRAKTMSL
ILHAADISHPAKSWKLHYRWTMALMEEFFLQGDKEAELGLPFSPLCDRKSTMVAQSQIGF
IDFIVEPTFSLLTDSTEKIVIPLIEEASKAETSSYVASSSTTIVGLHIADALRRSNTKGS
MSDGSYSPDYSLAAVDLKSFKNNLVDIIQQNKERWKELAAQEARTSSQKCEFIHQ
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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 | Calcium/calmodulin-dependent 3 ,5 -cyclic nucleotide phosphodiesterase 1B | Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B | Cam-PDE 1B | PDE1B | PDE1B1 | PDE1B_HUMAN | PDES1B | Phosphodiesterase 1B | Phosphodiesterase 1B (PDE1B1) | Phosphodiesterase Type 1 (PDE1B) | Phosphodiesterase, PDE1/PDE5 |
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| Type: | Enzyme |
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| Mol. Mass.: | 61366.51 |
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| Organism: | Homo sapiens (Human) |
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| Description: | n/a |
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| Residue: | 536 |
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| Sequence: | MELSPRSPPEMLEESDCPSPLELKSAPSKKMWIKLRSLLRYMVKQLENGEINIEELKKNL
EYTASLLEAVYIDETRQILDTEDELQELRSDAVPSEVRDWLASTFTQQARAKGRRAEEKP
KFRSIVHAVQAGIFVERMFRRTYTSVGPTYSTAVLNCLKNLDLWCFDVFSLNQAADDHAL
RTIVFELLTRHNLISRFKIPTVFLMSFLDALETGYGKYKNPYHNQIHAADVTQTVHCFLL
RTGMVHCLSEIELLAIIFAAAIHDYEHTGTTNSFHIQTKSECAIVYNDRSVLENHHISSV
FRLMQDDEMNIFINLTKDEFVELRALVIEMVLATDMSCHFQQVKTMKTALQQLERIDKPK
ALSLLLHAADISHPTKQWLVHSRWTKALMEEFFRQGDKEAELGLPFSPLCDRTSTLVAQS
QIGFIDFIVEPTFSVLTDVAEKSVQPLADEDSKSKNQPSFQWRQPSLDVEVGDPNPDVVS
FRSTWVKRIQENKQKWKERAASGITNQMSIDELSPCEEEAPPSPAEDEHNQNGNLD
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| BDBM50525060 |
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| n/a |
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| Name | BDBM50525060 |
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| Synonyms: | CHEMBL4462192 |
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| Type | Small organic molecule |
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| Emp. Form. | C24H35N5O3 |
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| Mol. Mass. | 441.5664 |
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| SMILES | CCCOc1ccc(NC(=O)CN2CCN(C)CC2)cc1-c1nc(CC)c(CC)c(=O)[nH]1 |
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| Structure | 
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