Reaction Details |
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Target | cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B |
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Ligand | BDBM50473077 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_152918 (CHEMBL758788) |
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IC50 | 3200±n/a nM |
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Citation | Burnouf, C; Auclair, E; Avenel, N; Bertin, B; Bigot, C; Calvet, A; Chan, K; Durand, C; Fasquelle, V; Féru, F; Gilbertsen, R; Jacobelli, H; Kebsi, A; Lallier, E; Maignel, J; Martin, B; Milano, S; Ouagued, M; Pascal, Y; Pruniaux, MP; Puaud, J; Rocher, MN; Terrasse, C; Wrigglesworth, R; Doherty, AM Synthesis, structure-activity relationships, and pharmacological profile of 9-amino-4-oxo-1-phenyl-3,4,6,7-tetrahydro[1,4]diazepino[6, 7,1-hi]indoles: discovery of potent, selective phosphodiesterase type 4 inhibitors. J Med Chem43:4850-67 (2000) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B |
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Name: | cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B |
Synonyms: | Phosphodiesterase (PDE3) | Phosphodiesterase 3 | Phosphodiesterase 3 (PDE3) | cGMP-inhibited 3',5'-cyclic phosphodiesterase A/B |
Type: | n/a |
Mol. Mass.: | n/a |
Description: | ASSAY_ID of ChEMBL is 156458 |
Components: | This complex has 2 components. |
Component 1 |
Name: | cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B |
Synonyms: | CGI-PDE B | CGIP1 | CGIPDE1 | Cyclic GMP-inhibited phosphodiesterase B | PDE3B | PDE3B_HUMAN | Phosphodiesterase 3B | Phosphodiesterase 3B (PDE3B) | Phosphodiesterase Type 3 (PDE3B) | cGMP-inhibited 3',5'-cyclic phosphodiesterase B | cGMP-inhibited 3,5-cyclic phosphodiesterase B |
Type: | Enzyme |
Mol. Mass.: | 124318.95 |
Organism: | Homo sapiens (Human) |
Description: | PDE3B was generated from the full-length recombinant human clone transfected into Sf9 cells. |
Residue: | 1112 |
Sequence: | MRRDERDAKAMRSLQPPDGAGSPPESLRNGYVKSCVSPLRQDPPRGFFFHLCRFCNVELR
PPPASPQQPRRCSPFCRARLSLGALAAFVLALLLGAEPESWAAGAAWLRTLLSVCSHSLS
PLFSIACAFFFLTCFLTRTKRGPGPGRSCGSWWLLALPACCYLGDFLVWQWWSWPWGDGD
AGSAAPHTPPEAAAGRLLLVLSCVGLLLTLAHPLRLRHCVLVLLLASFVWWVSFTSLGSL
PSALRPLLSGLVGGAGCLLALGLDHFFQIREAPLHPRLSSAAEEKVPVIRPRRRSSCVSL
GETAASYYGSCKIFRRPSLPCISREQMILWDWDLKQWYKPHYQNSGGGNGVDLSVLNEAR
NMVSDLLTDPSLPPQVISSLRSISSLMGAFSGSCRPKINPLTPFPGFYPCSEIEDPAEKG
DRKLNKGLNRNSLPTPQLRRSSGTSGLLPVEQSSRWDRNNGKRPHQEFGISSQGCYLNGP
FNSNLLTIPKQRSSSVSLTHHVGLRRAGVLSSLSPVNSSNHGPVSTGSLTNRSPIEFPDT
ADFLNKPSVILQRSLGNAPNTPDFYQQLRNSDSNLCNSCGHQMLKYVSTSESDGTDCCSG
KSGEEENIFSKESFKLMETQQEEETEKKDSRKLFQEGDKWLTEEAQSEQQTNIEQEVSLD
LILVEEYDSLIEKMSNWNFPIFELVEKMGEKSGRILSQVMYTLFQDTGLLEIFKIPTQQF
MNYFRALENGYRDIPYHNRIHATDVLHAVWYLTTRPVPGLQQIHNGCGTGNETDSDGRIN
HGRIAYISSKSCSNPDESYGCLSSNIPALELMALYVAAAMHDYDHPGRTNAFLVATNAPQ
AVLYNDRSVLENHHAASAWNLYLSRPEYNFLLHLDHVEFKRFRFLVIEAILATDLKKHFD
FLAEFNAKANDVNSNGIEWSNENDRLLVCQVCIKLADINGPAKVRDLHLKWTEGIVNEFY
EQGDEEANLGLPISPFMDRSSPQLAKLQESFITHIVGPLCNSYDAAGLLPGQWLEAEEDN
DTESGDDEDGEELDTEDEEMENNLNPKPPRRKSRRRIFCQLMHHLTENHKIWKEIVEEEE
KCKADGNKLQVENSSLPQADEIQVIEEADEEE
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Component 2 |
Name: | cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A |
Synonyms: | 3',5'-cyclic phosphodiesterase | CGI-PDE A | Cyclic GMP-inhibited phosphodiesterase A | PDE3A | PDE3A_HUMAN | Phosphodiesterase 3 | Phosphodiesterase 3 (PDE3) | Phosphodiesterase 3 and 5 (PDE3 and PDE5) | Phosphodiesterase 3A | Phosphodiesterase 3A (PDE3A) | Phosphodiesterase 3A (PDE3A1) | Phosphodiesterase Type 3 (PDE3A) | cGMP-inhibited 3',5'-cyclic phosphodiesterase A | cGMP-inhibited 3,5-cyclic phosphodiesterase A |
Type: | Enzyme |
Mol. Mass.: | 124966.46 |
Organism: | Homo sapiens (Human) |
Description: | Q14432 |
Residue: | 1141 |
Sequence: | MAVPGDAARVRDKPVHSGVSQAPTAGRDCHHRADPASPRDSGCRGCWGDLVLQPLRSSRK
LSSALCAGSLSFLLALLVRLVRGEVGCDLEQCKEAAAAEEEEAAPGAEGGVFPGPRGGAP
GGGARLSPWLQPSALLFSLLCAFFWMGLYLLRAGVRLPLAVALLAACCGGEALVQIGLGV
GEDHLLSLPAAGVVLSCLAAATWLVLRLRLGVLMIALTSAVRTVSLISLERFKVAWRPYL
AYLAGVLGILLARYVEQILPQSAEAAPREHLGSQLIAGTKEDIPVFKRRRRSSSVVSAEM
SGCSSKSHRRTSLPCIPREQLMGHSEWDHKRGPRGSQSSGTSITVDIAVMGEAHGLITDL
LADPSLPPNVCTSLRAVSNLLSTQLTFQAIHKPRVNPVTSLSENYTCSDSEESSEKDKLA
IPKRLRRSLPPGLLRRVSSTWTTTTSATGLPTLEPAPVRRDRSTSIKLQEAPSSSPDSWN
NPVMMTLTKSRSFTSSYAISAANHVKAKKQSRPGALAKISPLSSPCSSPLQGTPASSLVS
KISAVQFPESADTTAKQSLGSHRALTYTQSAPDLSPQILTPPVICSSCGRPYSQGNPADE
PLERSGVATRTPSRTDDTAQVTSDYETNNNSDSSDIVQNEDETECLREPLRKASACSTYA
PETMMFLDKPILAPEPLVMDNLDSIMEQLNTWNFPIFDLVENIGRKCGRILSQVSYRLFE
DMGLFEAFKIPIREFMNYFHALEIGYRDIPYHNRIHATDVLHAVWYLTTQPIPGLSTVIN
DHGSTSDSDSDSGFTHGHMGYVFSKTYNVTDDKYGCLSGNIPALELMALYVAAAMHDYDH
PGRTNAFLVATSAPQAVLYNDRSVLENHHAAAAWNLFMSRPEYNFLINLDHVEFKHFRFL
VIEAILATDLKKHFDFVAKFNGKVNDDVGIDWTNENDRLLVCQMCIKLADINGPAKCKEL
HLQWTDGIVNEFYEQGDEEASLGLPISPFMDRSAPQLANLQESFISHIVGPLCNSYDSAG
LMPGKWVEDSDESGDTDDPEEEEEEAPAPNEEETCENNESPKKKTFKRRKIYCQITQHLL
QNHKMWKKVIEEEQRLAGIENQSLDQTPQSHSSEQIQAIKEEEEEKGKPRGEEIPTQKPD
Q
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BDBM50473077 |
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n/a |
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Name | BDBM50473077 |
Synonyms: | CHEMBL144258 |
Type | Small organic molecule |
Emp. Form. | C26H23Cl2N5O2 |
Mol. Mass. | 508.399 |
SMILES | CN(C)c1cc2CCN3c2c(c1)C(=N[C@@H](NC(=O)c1cc(Cl)c(N)c(Cl)c1)C3=O)c1ccccc1 |c:14| |
Structure |
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