BDBM378212 N-((1r,4r)-4-(3-aminopropanamido)cyclohexyl)-7-methyl-1H-indole-2-carboxamide::US10266526, Compound 342

SMILES Cc1cccc2cc([nH]c12)C(=O)N[C@H]1CC[C@@H](CC1)NC(=O)CCN

InChI Key InChIKey=AEUGFQSECICIPH-UHFFFAOYSA-N

Data  1 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 378212   

TargetHistone-lysine N-methyltransferase SMYD3(Human)
Epizyme

US Patent
LigandPNGBDBM378212(N-((1r,4r)-4-(3-aminopropanamido)cyclohexyl)-7-met...)
Affinity DataIC50: 3.77E+4nMAssay Description:The assays were all performed in a buffer consisting of 25 mM Tris-Cl pH 8.0, 1 mM TCEP, 0.005% BSG, and 0.005% Tween 20, prepared on the day of use....More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2020
Entry Details
Go to US Patent

TargetHistone-lysine N-methyltransferase SETD2(Human)
Epizyme

Curated by ChEMBL
LigandPNGBDBM378212(N-((1r,4r)-4-(3-aminopropanamido)cyclohexyl)-7-met...)
Affinity DataKd:  4.00E+4nMAssay Description:Binding affinity to SETD2 (unknown origin) by surface plasmon resonanceMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMedPDB3D3D Structure (crystal)