Reaction Details Report a problem with these data
Target
Histone-lysine N-methyltransferase SMYD3
Ligand
BDBM293351
Substrate
n/a
Meas. Tech.
SMYD3 Biochemical Assay
IC50
671±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:
BDBM293351
Synonyms:
N-((1r,4r)-4-(3- (benzylamino) propanamido) cyclohexyl)- 5-cyclopropylisoxazole- 3-carboxamide | US10106510, Compound 18
Type:
Small organic molecule
Emp. Form.:
C23H30N4O3
Mol. Mass.:
410.5093
SMILES:
O=C(CCNCc1ccccc1)N[C@H]1CC[C@@H](CC1)NC(=O)c1cc(on1)C1CC1 |r,wU:13.13,wD:16.20,(-2.73,1.19,;-2.73,-.35,;-4.07,-1.12,;-5.4,-.35,;-6.73,-1.12,;-8.07,-.35,;-9.4,-1.12,;-10.74,-.35,;-12.07,-1.12,;-12.07,-2.66,;-10.74,-3.43,;-9.4,-2.66,;-1.4,-1.12,;-.07,-.35,;-.07,1.19,;1.27,1.96,;2.6,1.19,;2.6,-.35,;1.27,-1.12,;3.93,1.96,;5.27,1.19,;5.27,-.35,;6.6,1.96,;7.85,1.06,;9.09,1.96,;8.62,3.43,;7.08,3.43,;10.58,1.56,;11.67,.48,;12.07,1.96,)|
Structure:
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