Reaction Details |
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Target | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A |
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Ligand | BDBM50398801 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_873311 (CHEMBL2185164) |
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IC50 | 47±n/a nM |
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Citation | Claffey, MM; Helal, CJ; Verhoest, PR; Kang, Z; Fors, KS; Jung, S; Zhong, J; Bundesmann, MW; Hou, X; Lui, S; Kleiman, RJ; Vanase-Frawley, M; Schmidt, AW; Menniti, F; Schmidt, CJ; Hoffman, WE; Hajos, M; McDowell, L; O'Connor, RE; Macdougall-Murphy, M; Fonseca, KR; Becker, SL; Nelson, FR; Liras, S Application of structure-based drug design and parallel chemistry to identify selective, brain penetrant, in vivo active phosphodiesterase 9A inhibitors. J Med Chem55:9055-68 (2012) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A |
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Name: | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A |
Synonyms: | 3',5'-cyclic phosphodiesterase | PDE9A | PDE9A_HUMAN | Phosphodiesterase 9A | Phosphodiesterase 9A (PDE9) | Phosphodiesterase 9A (PDE9A) |
Type: | Protein |
Mol. Mass.: | 68488.40 |
Organism: | Homo sapiens (Human) |
Description: | O76083 |
Residue: | 593 |
Sequence: | MGSGSSSYRPKAIYLDIDGRIQKVIFSKYCNSSDIMDLFCIATGLPRNTTISLLTTDDAM
VSIDPTMPANSERTPYKVRPVAIKQLSAGVEDKRTTSRGQSAERPLRDRRVVGLEQPRRE
GAFESGQVEPRPREPQGCYQEGQRIPPEREELIQSVLAQVAEQFSRAFKINELKAEVANH
LAVLEKRVELEGLKVVEIEKCKSDIKKMREELAARSSRTNCPCKYSFLDNHKKLTPRRDV
PTYPKYLLSPETIEALRKPTFDVWLWEPNEMLSCLEHMYHDLGLVRDFSINPVTLRRWLF
CVHDNYRNNPFHNFRHCFCVAQMMYSMVWLCSLQEKFSQTDILILMTAAICHDLDHPGYN
NTYQINARTELAVRYNDISPLENHHCAVAFQILAEPECNIFSNIPPDGFKQIRQGMITLI
LATDMARHAEIMDSFKEKMENFDYSNEEHMTLLKMILIKCCDISNEVRPMEVAEPWVDCL
LEEYFMQSDREKSEGLPVAPFMDRDKVTKATAQIGFIKFVLIPMFETVTKLFPMVEEIML
QPLWESRDRYEELKRIDDAMKELQKKTDSLTSGATEKSRERSRDVKNSEGDCA
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BDBM50398801 |
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n/a |
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Name | BDBM50398801 |
Synonyms: | CHEMBL2180067 |
Type | Small organic molecule |
Emp. Form. | C22H23FN6O3 |
Mol. Mass. | 438.4548 |
SMILES | CC(N1CC(C1)Oc1ccc(F)c(c1)C#N)c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1 |
Structure |
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