BDBM595558 2-((R)-2-(((1R,4R)-4-((5′-chloro-6-(((4-cyanotetrahydro-2H-pyran-4-yl)methyl)amino)-[2,4′-bipyridin]-2′-yl)amino)cyclohexyl)amino)propoxy)acetic acid (Compound 8) and 2-((S)-2-(((1R,4S)-4-((5′-chloro-6-(((4-cyanotetrahydro-2H-pyran-4-yl)methyl)amino)-[2,4′-bipyridin]-2′-yl)amino)cyclohexyl)amino)propoxy)acetic acid ::US11591322, Compound 9

SMILES C[C@@H](COCC(O)=O)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(CCOCC2)C#N)n1

InChI Key InChIKey=XTPCYXQQIXNDST-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 595558   

TargetCyclin-T1/Cyclin-dependent kinase 9(Human)
Algen Biotechnologies

US Patent
LigandPNGBDBM595558(US11591322, Compound 9 | 2-((R)-2-(((1R,4R)-4-((5&...)
Affinity DataIC50: 7.5nMAssay Description:To each well of a 96-well plate was added 5× kinase assay buffer with 10 mM DTT (6 μL), 500 μM ATP (1 μL), 5×CDK substrate (10 μL...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/14/2023
Entry Details
US Patent