| Reaction Details |
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 | Report a problem with these data |
| Target | Histone-lysine N-methyltransferase SETDB1 |
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| Ligand | BDBM50009672 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1463677 (CHEMBL3399136) |
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| IC50 | 2200±n/a nM |
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| Citation |  Kung, PP; Huang, B; Zehnder, L; Tatlock, J; Bingham, P; Krivacic, C; Gajiwala, K; Diehl, W; Yu, X; Maegley, KA SAH derived potent and selective EZH2 inhibitors. Bioorg Med Chem Lett25:1532-7 (2015) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Histone-lysine N-methyltransferase SETDB1 |
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| Name: | Histone-lysine N-methyltransferase SETDB1 |
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| Synonyms: | ERG-associated protein with SET domain | ESET | H3-K9-HMTase 4 | Histone H3-K9 methyltransferase 4 | KIAA0067 | KMT1E | Lysine N-methyltransferase 1E | SET domain bifurcated 1 | SETB1_HUMAN | SETDB1 |
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| Type: | Enzyme |
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| Mol. Mass.: | 143146.23 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Q15047 |
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| Residue: | 1291 |
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| Sequence: | MSSLPGCIGLDAATATVESEEIAELQQAVVEELGISMEELRHFIDEELEKMDCVQQRKKQ
LAELETWVIQKESEVAHVDQLFDDASRAVTNCESLVKDFYSKLGLQYRDSSSEDESSRPT
EIIEIPDEDDDVLSIDSGDAGSRTPKDQKLREAMAALRKSAQDVQKFMDAVNKKSSSQDL
HKGTLSQMSGELSKDGDLIVSMRILGKKRTKTWHKGTLIAIQTVGPGKKYKVKFDNKGKS
LLSGNHIAYDYHPPADKLYVGSRVVAKYKDGNQVWLYAGIVAETPNVKNKLRFLIFFDDG
YASYVTQSELYPICRPLKKTWEDIEDISCRDFIEEYVTAYPNRPMVLLKSGQLIKTEWEG
TWWKSRVEEVDGSLVRILFLDDKRCEWIYRGSTRLEPMFSMKTSSASALEKKQGQLRTRP
NMGAVRSKGPVVQYTQDLTGTGTQFKPVEPPQPTAPPAPPFPPAPPLSPQAGDSDLESQL
AQSRKQVAKKSTSFRPGSVGSGHSSPTSPALSENVSGGKPGINQTYRSPLGSTASAPAPS
ALPAPPAPPVFHGMLERAPAEPSYRAPMEKLFYLPHVCSYTCLSRVRPMRNEQYRGKNPL
LVPLLYDFRRMTARRRVNRKMGFHVIYKTPCGLCLRTMQEIERYLFETGCDFLFLEMFCL
DPYVLVDRKFQPYKPFYYILDITYGKEDVPLSCVNEIDTTPPPQVAYSKERIPGKGVFIN
TGPEFLVGCDCKDGCRDKSKCACHQLTIQATACTPGGQINPNSGYQYKRLEECLPTGVYE
CNKRCKCDPNMCTNRLVQHGLQVRLQLFKTQNKGWGIRCLDDIAKGSFVCIYAGKILTDD
FADKEGLEMGDEYFANLDHIESVENFKEGYESDAPCSSDSSGVDLKDQEDGNSGTEDPEE
SNDDSSDDNFCKDEDFSTSSVWRSYATRRQTRGQKENGLSETTSKDSHPPDLGPPHIPVP
PSIPVGGCNPPSSEETPKNKVASWLSCNSVSEGGFADSDSHSSFKTNEGGEGRAGGSRME
AEKASTSGLGIKDEGDIKQAKKEDTDDRNKMSVVTESSRNYGYNPSPVKPEGLRRPPSKT
SMHQSRRLMASAQSNPDDVLTLSSSTESEGESGTSRKPTAGQTSATAVDSDDIQTISSGS
EGDDFEDKKNMTGPMKRQVAVKSTRGFALKSTHGIAIKSTNMASVDKGESAPVRKNTRQF
YDGEESCYIIDAKLEGNLGRYLNHSCSPNLFVQNVFVDTHDLRFPWVAFFASKRIRAGTE
LTWDYNYEVGSVEGKELLCCCGAIECRGRLL
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| BDBM50009672 |
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| n/a |
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| Name | BDBM50009672 |
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| Synonyms: | AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocysteine | S-(5'-deoxyadenosin-5'-yl)-L-homocysteine | S-[1-(adenin-9-yl)-1,5-dideoxy-beta-D-ribofuranos-5-yl]-L-homocysteine | S-adenosyl-L-homocysteine | SAH | US8895245, S-Adenosyl-L-homocysteine (SAH) | US9175331, 1 | US9333217, S-Adenosyl-L-homocysteine (SAH) |
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| Type | Small organic molecule |
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| Emp. Form. | C14H20N6O5S |
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| Mol. Mass. | 384.411 |
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| SMILES | N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O |
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| Structure | 
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