Reaction Details |
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Target | Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B/1C |
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Ligand | BDBM50151638 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_306307 (CHEMBL827700) |
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IC50 | 610±n/a nM |
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Citation | Bernardelli, P; Lorthiois, E; Vergne, F; Oliveira, C; Mafroud, AK; Proust, E; Pham, N; Ducrot, P; Moreau, F; Idrissi, M; Tertre, A; Bertin, B; Coupe, M; Chevalier, E; Descours, A; Berlioz-Seux, F; Berna, P; Li, M Spiroquinazolinones as novel, potent, and selective PDE7 inhibitors. Part 2: Optimization of 5,8-disubstituted derivatives. Bioorg Med Chem Lett14:4627-31 (2004) [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 |
Synonyms: | Phosphodiesterase 1 |
Type: | n/a |
Mol. Mass.: | n/a |
Description: | Combinations of UniProts |
Components: | This complex has 3 components. |
Component 1 |
Name: | Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C |
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 |
Type: | Enzyme |
Mol. Mass.: | 80778.58 |
Organism: | Homo sapiens (Human) |
Description: | Q14123 |
Residue: | 709 |
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 |
Synonyms: | 61 kDa Cam-PDE | Calcium/calmodulin-dependent 3',5'-cyclic phosphodiesterase 1A | Cam-PDE 1A | PDE1A | PDE1A_HUMAN | hCam-1 |
Type: | Protein |
Mol. Mass.: | 61245.69 |
Organism: | Homo sapiens (Human) |
Description: | P54750 |
Residue: | 535 |
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 |
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 |
Type: | Enzyme |
Mol. Mass.: | 61366.51 |
Organism: | Homo sapiens (Human) |
Description: | n/a |
Residue: | 536 |
Sequence: | MELSPRSPPEMLEESDCPSPLELKSAPSKKMWIKLRSLLRYMVKQLENGEINIEELKKNL
EYTASLLEAVYIDETRQILDTEDELQELRSDAVPSEVRDWLASTFTQQARAKGRRAEEKP
KFRSIVHAVQAGIFVERMFRRTYTSVGPTYSTAVLNCLKNLDLWCFDVFSLNQAADDHAL
RTIVFELLTRHNLISRFKIPTVFLMSFLDALETGYGKYKNPYHNQIHAADVTQTVHCFLL
RTGMVHCLSEIELLAIIFAAAIHDYEHTGTTNSFHIQTKSECAIVYNDRSVLENHHISSV
FRLMQDDEMNIFINLTKDEFVELRALVIEMVLATDMSCHFQQVKTMKTALQQLERIDKPK
ALSLLLHAADISHPTKQWLVHSRWTKALMEEFFRQGDKEAELGLPFSPLCDRTSTLVAQS
QIGFIDFIVEPTFSVLTDVAEKSVQPLADEDSKSKNQPSFQWRQPSLDVEVGDPNPDVVS
FRSTWVKRIQENKQKWKERAASGITNQMSIDELSPCEEEAPPSPAEDEHNQNGNLD
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BDBM50151638 |
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n/a |
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Name | BDBM50151638 |
Synonyms: | 8''-chloro-5''-(5-hydroxy-1,2,4-oxadiazol-3-ylmethoxy)spiro[cyclohexane-1,4''-(1'',2'',3'',4''-tetrahydroquinazoline)]-2''-one | CHEMBL182536 |
Type | Small organic molecule |
Emp. Form. | C16H17ClN4O4 |
Mol. Mass. | 364.784 |
SMILES | Clc1ccc(OCc2nc(=O)o[nH]2)c2c1NC(=O)NC21CCCCC1 |
Structure |
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