Reaction Details Report a problem with these data
Target
Histone-lysine N-methyltransferase SMYD3
Ligand
BDBM293388
Substrate
n/a
Meas. Tech.
SMYD3 Biochemical Assay
IC50
16790±n/a nM
Citation
 Foley, MA; Kuntz, KW; Mitchell, LH; Munchhof, MJ Substituted isoxazoles for treating cancer US Patent  US10106510 Publication Date 10/23/2018 
Target
Name:
Histone-lysine N-methyltransferase SMYD3
Synonyms:
SET and MYND domain-containing protein 3 | SMYD3 | SMYD3_HUMAN | ZMYND1 | ZNFN3A1 | Zinc finger MYND domain-containing protein 1
Type:
Enzyme
Mol. Mass.:
49101.22
Organism:
Homo sapiens (Human)
Description:
Q9H7B4-2
Residue:
428
Sequence:
MEPLKVEKFATAKRGNGLRAVTPLRPGELLFRSDPLAYTVCKGSRGVVCDRCLLGKEKLMRCSQCRVAKYCSAKCQKKAWPDHKRECKCLKSCKPRYPPDSVRLLGRVVFKLMDGAPSESEKLYSFYDLESNINKLTEDKKEGLRQLVMTFQHFMREEIQDASQLPPAFDLFEAFAKVICNSFTICNAEMQEVGVGLYPSISLLNHSCDPNCSIVFNGPHLLLRAVRDIEVGEELTICYLDMLMTSEERRKQLRDQYCFECDCFRCQTQDKDADMLTGDEQVWKEVQESLKKIEELKAHWKWEQVLAMCQAIISSNSERLPDINIYQLKVLDCAMDACINLGLLEEALFYGTRTMEPYRIFFPGSHPVRGVQVMKVGKLQLHQGMFPQAMKNLRLAFDIMRVTHGREHSLIEDLILLLEECDANIRAS
  
Inhibitor
Name:
BDBM293388
Synonyms:
N-((1r,4r)-4-(3- aminopropanamido) cyclohexyl)-5- cyclopropyl-N-(2- hydroxyethyl)isoxazole- 3-carboxamide | US10106510, Compound 52
Type:
Small organic molecule
Emp. Form.:
C18H28N4O4
Mol. Mass.:
364.4393
SMILES:
NCCC(=O)N[C@H]1CC[C@@H](CC1)N(CCO)C(=O)c1cc(on1)C1CC1 |r,wU:6.5,wD:9.12,(-8.73,-3.43,;-7.4,-2.66,;-6.07,-3.43,;-4.73,-2.66,;-4.73,-1.12,;-3.4,-3.43,;-2.07,-2.66,;-2.07,-1.12,;-.73,-.35,;.6,-1.12,;.6,-2.66,;-.73,-3.43,;1.93,-.35,;3.27,-1.12,;3.27,-2.66,;4.6,-3.43,;1.93,1.19,;.6,1.96,;3.27,1.96,;4.51,1.06,;5.76,1.96,;5.28,3.43,;3.74,3.43,;7.25,1.56,;8.34,.48,;8.73,1.96,)|
Structure:
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