Compound name
THAL SNS 032
Protein family
Protein Kinase
Target name
CDK9
Affinity biochemical (nM)
4
Affinity on-target cellular (nM)
250
CG-Set
Kinase set
Recommended Concentration
1 µM
Compound EUbOPEN ID
EUB0000059b
SMILES
CC(C)(C)c1cnc(CSc2cnc(NC(=O)C3CCN(CC(=O)NCCOCCOCCOCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)s2)o1
InChIKey
BXDZOYLPNAIDOC-UHFFFAOYSA-N
NCBI gene ID
1025
UniProt ID
P50750
Synonyms
PITALRE, C-2k, TAK
Mode of action
Degrader
Affinity biochemical definition
IC50
Affinity biochemical assay type
Adapta Eu kinase assay (using CDK9/cyclinT1, using Km =ATP)
Affinity Biochemical Source Knowledge
https://www.nature.com/articles/nchembio.2538
Affinity biochemical relation
=
Affinity on-target cellular definition
EC50
Affinity on-target cellular assay type
Immunoblot assay (Bio-AT7519 pulldown using MOLT4 wt cells)
Affinity on-target cellular source knowledge
https://www.nature.com/articles/nchembio.2538
Affinity on-target cellular relation
<
Selectivity platform
KiNativ® profiling (MOLT4 celll lysates)
Selectivity platform number of targets
215
Selectivity remarks
Screened at 1 µM, closest targets as % of inhibition: CDK9 (90.4%), CDK10 (82.6%), CDK5 (59.5%), CDK6(51.3%), CDK7 (54.7%), CHED (59.2%), PCTAIRE1 (89.5%), PCTAIRE2 (89.7%), PCTAIRE3 (91.1%), full screening data are available as supporting information, https://www.nature.com/articles/nchembio.2538;
In-vitro potency (Z'LYTE kinase assays, CDK1/CyclinB, conc. ATP = Km): IC50(CDK1) = 171 nM, https://www.nature.com/articles/nchembio.2538;
In-vitro potency (Z'LYTE kinase assays, CDK2/CyclinA, conc. ATP = Km): IC50(CDK2) = 62 nM, https://www.nature.com/articles/nchembio.2538;
In-vitro potency (Adapta Eu kinase assay, CDK7/CycH/MNAT1, conc. ATP = Km): IC50(CDK7) = 398 nM, https://www.nature.com/articles/nchembio.2538;
Quantitative mass-spectrometry-based proteomics: experiment identified CDK9 as the most depleted protein out of 4,512 proteins based on the quantification of two or more peptides, https://www.nature.com/articles/nchembio.2538
In-vitro potency (Z'LYTE kinase assays, CDK1/CyclinB, conc. ATP = Km): IC50(CDK1) = 171 nM, https://www.nature.com/articles/nchembio.2538;
In-vitro potency (Z'LYTE kinase assays, CDK2/CyclinA, conc. ATP = Km): IC50(CDK2) = 62 nM, https://www.nature.com/articles/nchembio.2538;
In-vitro potency (Adapta Eu kinase assay, CDK7/CycH/MNAT1, conc. ATP = Km): IC50(CDK7) = 398 nM, https://www.nature.com/articles/nchembio.2538;
Quantitative mass-spectrometry-based proteomics: experiment identified CDK9 as the most depleted protein out of 4,512 proteins based on the quantification of two or more peptides, https://www.nature.com/articles/nchembio.2538
Selectivity Source Knowledge
https://www.nature.com/articles/nchembio.2538
Selectivity Number of Off-targets
4