| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 29th, 2005 | 38 | No |
Popular Name: ethylBLAHdione ethylBLAHdione
None
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.84 | -2.57 | -58.85 | 2 | 8 | 1 | 82 | 513.618 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CCNB1-2-E | G2/mitotic-specific Cyclin B1 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 240 | 0.24 | Binding ≤ 10μM |
| CCNB2-2-E | G2/mitotic-specific Cyclin B2 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 240 | 0.24 | Binding ≤ 10μM |
| CCNB3-2-E | G2/mitotic-specific Cyclin B3 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 240 | 0.24 | Binding ≤ 10μM |
| CDK1-1-E | Cyclin-dependent Kinase 1 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 240 | 0.24 | Binding ≤ 10μM |
| GSK3B-1-E | Glycogen Synthase Kinase-3 Beta (cluster #1 Of 7), Eukaryotic | Eukaryotes | 25 | 0.28 | Binding ≤ 10μM |
| KCC2A-1-E | CaM Kinase II Alpha (cluster #1 Of 1), Eukaryotic | Eukaryotes | 780 | 0.23 | Binding ≤ 10μM |
| KCC2B-1-E | CaM Kinase II Beta (cluster #1 Of 1), Eukaryotic | Eukaryotes | 780 | 0.23 | Binding ≤ 10μM |
| KCC2D-1-E | CaM Kinase II Delta (cluster #1 Of 1), Eukaryotic | Eukaryotes | 780 | 0.23 | Binding ≤ 10μM |
| KCC2G-1-E | CaM Kinase II Gamma (cluster #1 Of 1), Eukaryotic | Eukaryotes | 780 | 0.23 | Binding ≤ 10μM |
| KPCA-1-E | Protein Kinase C Alpha (cluster #1 Of 6), Eukaryotic | Eukaryotes | 110 | 0.26 | Binding ≤ 10μM |
| KPCB-1-E | Protein Kinase C Beta (cluster #1 Of 4), Eukaryotic | Eukaryotes | 9 | 0.30 | Binding ≤ 10μM |
| KPCD-1-E | Protein Kinase C Delta (cluster #1 Of 4), Eukaryotic | Eukaryotes | 350 | 0.24 | Binding ≤ 10μM |
| KPCE-1-E | Protein Kinase C Epsilon (cluster #1 Of 5), Eukaryotic | Eukaryotes | 75 | 0.26 | Binding ≤ 10μM |
| KPCG-1-E | Protein Kinase C Gamma (cluster #1 Of 4), Eukaryotic | Eukaryotes | 300 | 0.24 | Binding ≤ 10μM |
| PGFRA-1-E | Platelet-derived Growth Factor Receptor Alpha (cluster #1 Of 2), Eukaryotic | Eukaryotes | 4400 | 0.20 | Binding ≤ 10μM |
| PGFRB-1-E | Platelet-derived Growth Factor Receptor Beta (cluster #1 Of 1), Eukaryotic | Eukaryotes | 4400 | 0.20 | Binding ≤ 10μM |
| VGFR2-1-E | Vascular Endothelial Growth Factor Receptor 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1410 | 0.22 | Binding ≤ 10μM |
| GSK3B-1-E | Glycogen Synthase Kinase-3 Beta (cluster #1 Of 1), Eukaryotic | Eukaryotes | 310 | 0.24 | Functional ≤ 10μM |
| GYS1-1-E | Muscle Glycogen Synthase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 310 | 0.24 | Functional ≤ 10μM |
| KPCB-1-E | Protein Kinase C Beta (cluster #1 Of 1), Eukaryotic | Eukaryotes | 25 | 0.28 | Functional ≤ 10μM |
| Z80936-1-O | HEK293 (Embryonic Kidney Fibroblasts) (cluster #1 Of 4), Other | Other | 25 | 0.28 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| KCC2A_HUMAN | Q9UQM7 | CaM Kinase II Alpha, Human | 780 | 0.23 | Binding ≤ 1μM |
| KCC2B_HUMAN | Q13554 | CaM Kinase II Beta, Human | 780 | 0.23 | Binding ≤ 1μM |
| KCC2D_HUMAN | Q13557 | CaM Kinase II Delta, Human | 780 | 0.23 | Binding ≤ 1μM |
| KCC2G_HUMAN | Q13555 | CaM Kinase II Gamma, Human | 780 | 0.23 | Binding ≤ 1μM |
| CDK1_HUMAN | P06493 | Cyclin-dependent Kinase 1, Human | 240 | 0.24 | Binding ≤ 1μM |
| CCNB1_HUMAN | P14635 | G2/mitotic-specific Cyclin B1, Human | 240 | 0.24 | Binding ≤ 1μM |
| CCNB2_HUMAN | O95067 | G2/mitotic-specific Cyclin B2, Human | 240 | 0.24 | Binding ≤ 1μM |
| CCNB3_HUMAN | Q8WWL7 | G2/mitotic-specific Cyclin B3, Human | 240 | 0.24 | Binding ≤ 1μM |
| GSK3B_HUMAN | P49841 | Glycogen Synthase Kinase-3 Beta, Human | 18 | 0.29 | Binding ≤ 1μM |
| KPCA_HUMAN | P17252 | Protein Kinase C Alpha, Human | 110 | 0.26 | Binding ≤ 1μM |
| KPCB_HUMAN | P05771 | Protein Kinase C Beta, Human | 14 | 0.29 | Binding ≤ 1μM |
| KPCD_HUMAN | Q05655 | Protein Kinase C Delta, Human | 350 | 0.24 | Binding ≤ 1μM |
| KPCE_HUMAN | Q02156 | Protein Kinase C Epsilon, Human | 75 | 0.26 | Binding ≤ 1μM |
| KPCG_HUMAN | P05129 | Protein Kinase C Gamma, Human | 300 | 0.24 | Binding ≤ 1μM |
| KCC2A_HUMAN | Q9UQM7 | CaM Kinase II Alpha, Human | 780 | 0.23 | Binding ≤ 10μM |
| KCC2B_HUMAN | Q13554 | CaM Kinase II Beta, Human | 780 | 0.23 | Binding ≤ 10μM |
| KCC2D_HUMAN | Q13557 | CaM Kinase II Delta, Human | 780 | 0.23 | Binding ≤ 10μM |
| KCC2G_HUMAN | Q13555 | CaM Kinase II Gamma, Human | 780 | 0.23 | Binding ≤ 10μM |
| CDK1_HUMAN | P06493 | Cyclin-dependent Kinase 1, Human | 240 | 0.24 | Binding ≤ 10μM |
| CCNB1_HUMAN | P14635 | G2/mitotic-specific Cyclin B1, Human | 240 | 0.24 | Binding ≤ 10μM |
| CCNB2_HUMAN | O95067 | G2/mitotic-specific Cyclin B2, Human | 240 | 0.24 | Binding ≤ 10μM |
| CCNB3_HUMAN | Q8WWL7 | G2/mitotic-specific Cyclin B3, Human | 240 | 0.24 | Binding ≤ 10μM |
| GSK3B_HUMAN | P49841 | Glycogen Synthase Kinase-3 Beta, Human | 18 | 0.29 | Binding ≤ 10μM |
| PGFRA_HUMAN | P16234 | Platelet-derived Growth Factor Receptor Alpha, Human | 4400 | 0.20 | Binding ≤ 10μM |
| PGFRB_HUMAN | P09619 | Platelet-derived Growth Factor Receptor Beta, Human | 4400 | 0.20 | Binding ≤ 10μM |
| KPCA_HUMAN | P17252 | Protein Kinase C Alpha, Human | 110 | 0.26 | Binding ≤ 10μM |
| KPCB_HUMAN | P05771 | Protein Kinase C Beta, Human | 14 | 0.29 | Binding ≤ 10μM |
| KPCD_HUMAN | Q05655 | Protein Kinase C Delta, Human | 350 | 0.24 | Binding ≤ 10μM |
| KPCE_HUMAN | Q02156 | Protein Kinase C Epsilon, Human | 75 | 0.26 | Binding ≤ 10μM |
| KPCG_HUMAN | P05129 | Protein Kinase C Gamma, Human | 300 | 0.24 | Binding ≤ 10μM |
| VGFR2_HUMAN | P35968 | Vascular Endothelial Growth Factor Receptor 2, Human | 1410 | 0.22 | Binding ≤ 10μM |
| GSK3B_HUMAN | P49841 | Glycogen Synthase Kinase-3 Beta, Human | 310 | 0.24 | Functional ≤ 10μM |
| Z80936 | Z80936 | HEK293 (Embryonic Kidney Fibroblasts) | 25 | 0.28 | Functional ≤ 10μM |
| GYS1_HUMAN | P13807 | Muscle Glycogen Synthase, Human | 310 | 0.24 | Functional ≤ 10μM |
| KPCB_HUMAN | P05771 | Protein Kinase C Beta, Human | 25 | 0.28 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Acetylcholine regulates insulin secretion | |
| Activation of NF-kappaB in B cells | |
| Activation of NIMA Kinases NEK9, NEK6, NEK7 | |
| AKT phosphorylates targets in the cytosol | |
| APC truncation mutants have impaired AXIN binding | |
| APC/C:Cdc20 mediated degradation of Cyclin B | |
| Apoptotic cleavage of cellular proteins | |
| AXIN missense mutants destabilize the destruction complex | |
| Beta-catenin phosphorylation cascade | |
| Ca2+ pathway | |
| Calmodulin induced events | |
| Chk1/Chk2(Cds1) mediated inactivation of Cyclin B:Cdk1 complex | |
| Condensation of Prometaphase Chromosomes | |
| Condensation of Prophase Chromosomes | |
| Constitutive PI3K/AKT Signaling in Cancer | |
| CREB phosphorylation through the activation of CaMKII | |
| CREB phosphorylation through the activation of Ras | |
| CRMPs in Sema3A signaling | |
| Cyclin A/B1 associated events during G2/M transition | |
| Cyclin B2 mediated events | |
| DAG and IP3 signaling | |
| Degradation of beta-catenin by the destruction complex | |
| Depolymerisation of the Nuclear Lamina | |
| disassembly of the destruction complex and recruitment of AXIN to the membrane | |
| Disinhibition of SNARE formation | |
| Downstream signal transduction | |
| E2F mediated regulation of DNA replication | |
| E2F-enabled inhibition of pre-replication complex formation | |
| Effects of PIP2 hydrolysis | |
| EGFR Transactivation by Gastrin | |
| EPHA-mediated growth cone collapse | |
| ERK1 activation | |
| G alpha (z) signalling events | |
| G0 and Early G1 | |
| G1/S-Specific Transcription | |
| G2/M DNA replication checkpoint | |
| Glycogen synthesis | |
| Golgi Cisternae Pericentriolar Stack Reorganization | |
| HSF1-dependent transactivation | |
| HuR stabilizes mRNA | |
| Inactivation, recovery and regulation of the phototransduction cascade | |
| Integrin cell surface interactions | |
| Interferon gamma signaling | |
| Loss of Nlp from mitotic centrosomes | |
| Loss of proteins required for interphase microtubule organization from the ce | |
| MASTL Facilitates Mitotic Progression | |
| misspliced GSK3beta mutants stabilize beta-catenin | |
| Myoclonic epilepsy of Lafora | |
| Neurophilin interactions with VEGF and VEGFR | |
| Nuclear Pore Complex (NPC) Disassembly | |
| Phosphorylation of Emi1 | |
| Phosphorylation of proteins involved in the G2/M transition by Cyclin A:Cdc2 com | |
| Phosphorylation of the APC/C | |
| PIP3 activates AKT signaling | |
| Polo-like kinase mediated events | |
| Ras activation uopn Ca2+ infux through NMDA receptor | |
| Recruitment of mitotic centrosome proteins and complexes | |
| Recruitment of NuMA to mitotic centrosomes | |
| Regulation of APC/C activators between G1/S and early anaphase | |
| Regulation of HSF1-mediated heat shock response | |
| Regulation of KIT signaling | |
| Regulation of PLK1 Activity at G2/M Transition | |
| Resolution of Sister Chromatid Cohesion | |
| Response to elevated platelet cytosolic Ca2+ | |
| Role of phospholipids in phagocytosis | |
| S33 mutants of beta-catenin aren't phosphorylated | |
| S37 mutants of beta-catenin aren't phosphorylated | |
| S45 mutants of beta-catenin aren't phosphorylated | |
| Signaling by PDGF | |
| Signaling by SCF-KIT | |
| Syndecan interactions | |
| T41 mutants of beta-catenin aren't phosphorylated | |
| Trafficking of AMPA receptors | |
| Trafficking of GluR2-containing AMPA receptors | |
| truncations of AMER1 destabilize the destruction complex | |
| Unblocking of NMDA receptor, glutamate binding and activation | |
| VEGF binds to VEGFR leading to receptor dimerization | |
| VEGFA-VEGFR2 Pathway | |
| VEGFR2 mediated cell proliferation | |
| WNT5A-dependent internalization of FZD4 |
