Compound name
NVP-2
Protein family
Protein Kinase
Target name
CDK9
Affinity biochemical (nM)
0.514
Affinity on-target cellular (nM)
250
CG-Set
Kinase set
Recommended Concentration
1 µM
Compound EUbOPEN ID
EUB0001268a
SMILES
COC[C@@H](C)N[C@H]1CC[C@H](Nc2cc(-c3cccc(NCC4(C#N)CCOCC4)n3)c(Cl)cn2)CC1
InChIKey
XWQVQSXLXAXOPJ-NJDAHSKKSA-N
NCBI gene ID
1025
UniProt ID
P50750
Synonyms
PITALRE, C-2k, TAK
Mode of action
inhibitor
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
KinomeScan (Ambit)
Selectivity platform number of targets
468
Selectivity remarks
Screened at 1 µM, S(1) = 0.005, closest targets as % of control: CDK9 (0.35%), DYRK1B (0.6%), TAOK3 (2.3%), HIPK4 (4.4%), CDC2L5 (5.5%), IRAK1 (6.5%), DYRK1A (9.2%), CDK7 (9.2%), full screening data are available as supporting information; https://www.nature.com/articles/nchembio.2538;
In-vitro potency (Adapta Eu kinase assay, CDK7/CycH/MNAT1, conc. ATP = Km): IC50(CDK7) >10 µM, https://www.nature.com/articles/nchembio.2538;
In-vitro potency (Z-Lyte kinase assay, conc. ATP = Km): IC50(DYRK1B) = 350 nM, https://www.nature.com/articles/nchembio.2538;
In-vitro potency (Z'LYTE kinase assays, CDK1/CyclinB, conc. ATP = Km): IC50(CDK1) = 0.584 µM, https://www.nature.com/articles/nchembio.2538;
In-vitro potency (Z'LYTE kinase assays, CDK2/CyclinA, conc. ATP = Km): IC50(CDK2) = 0.706 µM, https://www.nature.com/articles/nchembio.2538;
In-vitro potency (Z'LYTE kinase assays, CDK5/p25, conc. ATP = Km): IC50(CDK5) = 1.05 µM, https://www.nature.com/articles/nchembio.2538;
In-vitro potency (Lanthascreen Eu kinase binding assays, CDK8/CyclinC, conc. ATP = Km): IC50(CDK8) >10 µM, https://www.nature.com/articles/nchembio.2538;
In-vitro potency (Lanthascreen Eu kinase binding assays, CDK14/CyclinY, conc. ATP = Km): IC50(CDK14) = 3.45 µM, https://www.nature.com/articles/nchembio.2538;
In-vitro potency (Lanthascreen Eu kinase binding assays, CDK16/CyclinY, conc. ATP = Km): IC50(CDK16) = 0.605 µM, https://www.nature.com/articles/nchembio.2538;
In-vitro potency (Lanthascreen Eu kinase binding assays, CDK17/CyclinY, conc. ATP = Km): IC50(CDK17) = 1.5 µM, https://www.nature.com/articles/nchembio.2538;
In-vitro potency (Lanthascreen Eu kinase binding assays, CDK18/CyclinY, conc. ATP = Km): IC50(CDK18) = 4.9 µM, https://www.nature.com/articles/nchembio.2538;
In-cellular potency (Immunoblot assay, Bio-AT7519 pulldown using MOLT4 wt cells): IC50(CDK7) >1 µM, https://www.nature.com/articles/nchembio.2538;
In-cellular potency (Immunoblot assay, Bio-AT7519 pulldown using MOLT4 wt cells): IC50(CDK2) >1 µM, https://www.nature.com/articles/nchembio.2538;
In-cellular potency (Immunoblot assay, Bio-AT7519 pulldown using MOLT4 CRBN-/- cells): IC50(CDK7) >1 µM, https://www.nature.com/articles/nchembio.2538;
In-cellular potency (Immunoblot assay, Bio-AT7519 pulldown using MOLT4 CRBN-/- cells): IC50(CDK2) >1 µM, https://www.nature.com/articles/nchembio.2538;
In-cellular potency (Immunoblot assay, Bio-AT7519 pulldown using MOLT4 CRBN-/- cells): IC50(CDK9) <250 nM, https://www.nature.com/articles/nchembio.2538;
Screened at 1 µM in Kinativ chemical proteomics, using MOLT4 cell lysates, closest targets as % of inhibition: CDK9 (99%), CDK10 (99%), CRK7 (50.1%), full screening data are available as supporting information, https://www.nature.com/articles/nchembio.2538;
In-vitro potency (Adapta Eu kinase assay, CDK7/CycH/MNAT1, conc. ATP = Km): IC50(CDK7) >10 µM, https://www.nature.com/articles/nchembio.2538;
In-vitro potency (Z-Lyte kinase assay, conc. ATP = Km): IC50(DYRK1B) = 350 nM, https://www.nature.com/articles/nchembio.2538;
In-vitro potency (Z'LYTE kinase assays, CDK1/CyclinB, conc. ATP = Km): IC50(CDK1) = 0.584 µM, https://www.nature.com/articles/nchembio.2538;
In-vitro potency (Z'LYTE kinase assays, CDK2/CyclinA, conc. ATP = Km): IC50(CDK2) = 0.706 µM, https://www.nature.com/articles/nchembio.2538;
In-vitro potency (Z'LYTE kinase assays, CDK5/p25, conc. ATP = Km): IC50(CDK5) = 1.05 µM, https://www.nature.com/articles/nchembio.2538;
In-vitro potency (Lanthascreen Eu kinase binding assays, CDK8/CyclinC, conc. ATP = Km): IC50(CDK8) >10 µM, https://www.nature.com/articles/nchembio.2538;
In-vitro potency (Lanthascreen Eu kinase binding assays, CDK14/CyclinY, conc. ATP = Km): IC50(CDK14) = 3.45 µM, https://www.nature.com/articles/nchembio.2538;
In-vitro potency (Lanthascreen Eu kinase binding assays, CDK16/CyclinY, conc. ATP = Km): IC50(CDK16) = 0.605 µM, https://www.nature.com/articles/nchembio.2538;
In-vitro potency (Lanthascreen Eu kinase binding assays, CDK17/CyclinY, conc. ATP = Km): IC50(CDK17) = 1.5 µM, https://www.nature.com/articles/nchembio.2538;
In-vitro potency (Lanthascreen Eu kinase binding assays, CDK18/CyclinY, conc. ATP = Km): IC50(CDK18) = 4.9 µM, https://www.nature.com/articles/nchembio.2538;
In-cellular potency (Immunoblot assay, Bio-AT7519 pulldown using MOLT4 wt cells): IC50(CDK7) >1 µM, https://www.nature.com/articles/nchembio.2538;
In-cellular potency (Immunoblot assay, Bio-AT7519 pulldown using MOLT4 wt cells): IC50(CDK2) >1 µM, https://www.nature.com/articles/nchembio.2538;
In-cellular potency (Immunoblot assay, Bio-AT7519 pulldown using MOLT4 CRBN-/- cells): IC50(CDK7) >1 µM, https://www.nature.com/articles/nchembio.2538;
In-cellular potency (Immunoblot assay, Bio-AT7519 pulldown using MOLT4 CRBN-/- cells): IC50(CDK2) >1 µM, https://www.nature.com/articles/nchembio.2538;
In-cellular potency (Immunoblot assay, Bio-AT7519 pulldown using MOLT4 CRBN-/- cells): IC50(CDK9) <250 nM, https://www.nature.com/articles/nchembio.2538;
Screened at 1 µM in Kinativ chemical proteomics, using MOLT4 cell lysates, closest targets as % of inhibition: CDK9 (99%), CDK10 (99%), CRK7 (50.1%), full screening data are available as supporting information, https://www.nature.com/articles/nchembio.2538;
Selectivity Source Knowledge
https://www.nature.com/articles/nchembio.2538
Selectivity Number of Off-targets
7