Ki Summary

Reaction Details

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Target

Histone-lysine N-methyltransferase SMYD3

Ligand

BDBM378450

Substrate/Competitor

n/a

Meas. Tech.

SMYD3 Biochemical Assay

IC50

1.10±n/a nM

Citation

Foley, MA; Kuntz, KW; Mills, JE; Mitchell, LH; Munchhof, MJ; Harvey, DM Substituted 1,2,3-triazoles as SMYD inhibitors for treating cancer US Patent US10266526 Publication Date 4/23/2019

More Info.:

Get all data from this article, Assay Method

Histone-lysine N-methyltransferase SMYD3

Name:

Histone-lysine N-methyltransferase SMYD3

Synonyms:

Type:

Enzyme

Mol. Mass.:

49101.22

Organism:

Homo sapiens (Human)

Description:

Q9H7B4-2

Residue:

428

Sequence:

MEPLKVEKFATAKRGNGLRAVTPLRPGELLFRSDPLAYTVCKGSRGVVCDRCLLGKEKLM
RCSQCRVAKYCSAKCQKKAWPDHKRECKCLKSCKPRYPPDSVRLLGRVVFKLMDGAPSES
EKLYSFYDLESNINKLTEDKKEGLRQLVMTFQHFMREEIQDASQLPPAFDLFEAFAKVIC
NSFTICNAEMQEVGVGLYPSISLLNHSCDPNCSIVFNGPHLLLRAVRDIEVGEELTICYL
DMLMTSEERRKQLRDQYCFECDCFRCQTQDKDADMLTGDEQVWKEVQESLKKIEELKAHW
KWEQVLAMCQAIISSNSERLPDINIYQLKVLDCAMDACINLGLLEEALFYGTRTMEPYRI
FFPGSHPVRGVQVMKVGKLQLHQGMFPQAMKNLRLAFDIMRVTHGREHSLIEDLILLLEE
CDANIRAS

BDBM378450

n/a

Name

BDBM378450

Synonyms:

N-((1R,3R,5S)-8-(((1r,4R)-4-aminocyclohexyl)sulfonyl)-8-azabicyclo[3.2.1]octan-3-yl)-6-chloro-2-oxoindoline-5-carboxamide | US10266526, Compound 583

Type

Small organic molecule

Emp. Form.

C22H29ClN4O4S

Mol. Mass.

481.008

SMILES

N[C@H]1CC[C@@H](CC1)S(=O)(=O)N1[C@H]2CC[C@@H]1C[C@@H](C2)NC(=O)c1cc2CC(=O)Nc2cc1Cl |r,wU:1.0,14.15,11.11,wD:4.7,16.20,TLB:7:10:13.12:17.16.15,(-9.98,-1.26,;-8.44,-1.26,;-7.67,.07,;-6.13,.07,;-5.36,-1.26,;-6.13,-2.6,;-7.67,-2.6,;-3.82,-1.26,;-3.82,-2.8,;-3.82,.28,;-2.28,-1.26,;-1.88,-3,;-3.08,-2.04,;-3.08,-.5,;-1.88,.46,;-.38,.12,;.29,-1.27,;-.38,-2.66,;1.83,-1.27,;2.6,.06,;1.83,1.4,;4.14,.06,;4.91,1.4,;6.45,1.4,;7.48,2.54,;8.89,1.91,;9.98,3,;8.73,.38,;7.22,.06,;6.45,-1.27,;4.91,-1.27,;4.14,-2.61,)|

Structure