| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 8th, 2010 | 32 | No |
Popular Name: CUDC-101 CUDC-101
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1012054-59-9 , [1012054-59-9]
| 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) | 3.86 | 10.33 | -23.06 | 3 | 8 | 0 | 106 | 434.496 | 11 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Target | HDAC, EGFR, HER2 | Selleck Chemicals |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ABL1-1-E | Tyrosine-protein Kinase ABL (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2890 | 0.24 | Binding ≤ 10μM |
| EGFR-3-E | Epidermal Growth Factor Receptor ErbB1 (cluster #3 Of 4), Eukaryotic | Eukaryotes | 2 | 0.38 | Binding ≤ 10μM |
| ERBB2-2-E | Receptor Protein-tyrosine Kinase ErbB-2 (cluster #2 Of 3), Eukaryotic | Eukaryotes | 16 | 0.34 | Binding ≤ 10μM |
| FGFR2-1-E | Fibroblast Growth Factor Receptor 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3430 | 0.24 | Binding ≤ 10μM |
| FLT3-1-E | Tyrosine-protein Kinase Receptor FLT3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1500 | 0.25 | Binding ≤ 10μM |
| HDA10-1-E | Histone Deacetylase 10 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 26 | 0.33 | Binding ≤ 10μM |
| HDAC1-1-E | Histone Deacetylase 1 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 5 | 0.36 | Binding ≤ 10μM |
| HDAC2-1-E | Histone Deacetylase 2 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 13 | 0.35 | Binding ≤ 10μM |
| HDAC3-1-E | Histone Deacetylase 3 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 9 | 0.35 | Binding ≤ 10μM |
| HDAC4-1-E | Histone Deacetylase 4 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 13 | 0.35 | Binding ≤ 10μM |
| HDAC5-1-E | Histone Deacetylase 5 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 11 | 0.35 | Binding ≤ 10μM |
| HDAC6-1-E | Histone Deacetylase 6 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 5 | 0.36 | Binding ≤ 10μM |
| HDAC7-1-E | Histone Deacetylase 7 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 373 | 0.28 | Binding ≤ 10μM |
| HDAC8-1-E | Histone Deacetylase 8 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 80 | 0.31 | Binding ≤ 10μM |
| HDAC9-1-E | Histone Deacetylase 9 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 67 | 0.31 | Binding ≤ 10μM |
| LCK-1-E | Tyrosine-protein Kinase LCK (cluster #1 Of 4), Eukaryotic | Eukaryotes | 5910 | 0.23 | Binding ≤ 10μM |
| LYN-1-E | Tyrosine-protein Kinase Lyn (cluster #1 Of 1), Eukaryotic | Eukaryotes | 840 | 0.27 | Binding ≤ 10μM |
| RET-1-E | Tyrosine-protein Kinase Receptor RET (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3200 | 0.24 | Binding ≤ 10μM |
| VGFR2-1-E | Vascular Endothelial Growth Factor Receptor 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 849 | 0.27 | Binding ≤ 10μM |
| Z80224-1-O | MCF7 (Breast Carcinoma Cells) (cluster #1 Of 14), Other | Other | 550 | 0.27 | Functional ≤ 10μM |
| Z80322-2-O | NCI-H358 (Lung Carcinama Cells) (cluster #2 Of 2), Other | Other | 400 | 0.28 | Functional ≤ 10μM |
| Z80475-3-O | SK-BR-3 (Breast Adenocarcinoma) (cluster #3 Of 3), Other | Other | 40 | 0.32 | Functional ≤ 10μM |
| Z81020-4-O | HepG2 (Hepatoblastoma Cells) (cluster #4 Of 8), Other | Other | 130 | 0.30 | Functional ≤ 10μM |
| Z81252-3-O | MDA-MB-231 (Breast Adenocarcinoma Cells) (cluster #3 Of 11), Other | Other | 100 | 0.31 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EGFR_HUMAN | P00533 | Epidermal Growth Factor Receptor ErbB1, Human | 2.4 | 0.38 | Binding ≤ 1μM |
| HDAC1_HUMAN | Q13547 | Histone Deacetylase 1, Human | 4.5 | 0.37 | Binding ≤ 1μM |
| HDA10_HUMAN | Q969S8 | Histone Deacetylase 10, Human | 26.1 | 0.33 | Binding ≤ 1μM |
| HDAC2_HUMAN | Q92769 | Histone Deacetylase 2, Human | 12.6 | 0.35 | Binding ≤ 1μM |
| HDAC3_HUMAN | O15379 | Histone Deacetylase 3, Human | 9.1 | 0.35 | Binding ≤ 1μM |
| HDAC4_HUMAN | P56524 | Histone Deacetylase 4, Human | 13.2 | 0.34 | Binding ≤ 1μM |
| HDAC5_HUMAN | Q9UQL6 | Histone Deacetylase 5, Human | 11.4 | 0.35 | Binding ≤ 1μM |
| HDAC6_HUMAN | Q9UBN7 | Histone Deacetylase 6, Human | 5.1 | 0.36 | Binding ≤ 1μM |
| HDAC7_HUMAN | Q8WUI4 | Histone Deacetylase 7, Human | 373 | 0.28 | Binding ≤ 1μM |
| HDAC8_HUMAN | Q9BY41 | Histone Deacetylase 8, Human | 79.8 | 0.31 | Binding ≤ 1μM |
| HDAC9_HUMAN | Q9UKV0 | Histone Deacetylase 9, Human | 67.2 | 0.31 | Binding ≤ 1μM |
| ERBB2_HUMAN | P04626 | Receptor Protein-tyrosine Kinase ErbB-2, Human | 15.7 | 0.34 | Binding ≤ 1μM |
| LYN_HUMAN | P07948 | Tyrosine-protein Kinase Lyn, Human | 840 | 0.27 | Binding ≤ 1μM |
| VGFR2_HUMAN | P35968 | Vascular Endothelial Growth Factor Receptor 2, Human | 849 | 0.27 | Binding ≤ 1μM |
| EGFR_HUMAN | P00533 | Epidermal Growth Factor Receptor ErbB1, Human | 2.4 | 0.38 | Binding ≤ 10μM |
| FGFR2_HUMAN | P21802 | Fibroblast Growth Factor Receptor 2, Human | 3430 | 0.24 | Binding ≤ 10μM |
| HDAC1_HUMAN | Q13547 | Histone Deacetylase 1, Human | 4.5 | 0.37 | Binding ≤ 10μM |
| HDA10_HUMAN | Q969S8 | Histone Deacetylase 10, Human | 26.1 | 0.33 | Binding ≤ 10μM |
| HDAC2_HUMAN | Q92769 | Histone Deacetylase 2, Human | 12.6 | 0.35 | Binding ≤ 10μM |
| HDAC3_HUMAN | O15379 | Histone Deacetylase 3, Human | 9.1 | 0.35 | Binding ≤ 10μM |
| HDAC4_HUMAN | P56524 | Histone Deacetylase 4, Human | 13.2 | 0.34 | Binding ≤ 10μM |
| HDAC5_HUMAN | Q9UQL6 | Histone Deacetylase 5, Human | 11.4 | 0.35 | Binding ≤ 10μM |
| HDAC6_HUMAN | Q9UBN7 | Histone Deacetylase 6, Human | 5.1 | 0.36 | Binding ≤ 10μM |
| HDAC7_HUMAN | Q8WUI4 | Histone Deacetylase 7, Human | 373 | 0.28 | Binding ≤ 10μM |
| HDAC8_HUMAN | Q9BY41 | Histone Deacetylase 8, Human | 79.8 | 0.31 | Binding ≤ 10μM |
| HDAC9_HUMAN | Q9UKV0 | Histone Deacetylase 9, Human | 67.2 | 0.31 | Binding ≤ 10μM |
| ERBB2_HUMAN | P04626 | Receptor Protein-tyrosine Kinase ErbB-2, Human | 15.7 | 0.34 | Binding ≤ 10μM |
| ABL1_HUMAN | P00519 | Tyrosine-protein Kinase ABL, Human | 2890 | 0.24 | Binding ≤ 10μM |
| LCK_HUMAN | P06239 | Tyrosine-protein Kinase LCK, Human | 5910 | 0.23 | Binding ≤ 10μM |
| LYN_HUMAN | P07948 | Tyrosine-protein Kinase Lyn, Human | 840 | 0.27 | Binding ≤ 10μM |
| FLT3_HUMAN | P36888 | Tyrosine-protein Kinase Receptor FLT3, Human | 1500 | 0.25 | Binding ≤ 10μM |
| RET_HUMAN | P07949 | Tyrosine-protein Kinase Receptor RET, Human | 3200 | 0.24 | Binding ≤ 10μM |
| VGFR2_HUMAN | P35968 | Vascular Endothelial Growth Factor Receptor 2, Human | 849 | 0.27 | Binding ≤ 10μM |
| Z81020 | Z81020 | HepG2 (Hepatoblastoma Cells) | 130 | 0.30 | Functional ≤ 10μM |
| Z80224 | Z80224 | MCF7 (Breast Carcinoma Cells) | 550 | 0.27 | Functional ≤ 10μM |
| Z81252 | Z81252 | MDA-MB-231 (Breast Adenocarcinoma Cells) | 100 | 0.31 | Functional ≤ 10μM |
| Z80322 | Z80322 | NCI-H358 (Lung Carcinama Cells) | 400 | 0.28 | Functional ≤ 10μM |
| Z80475 | Z80475 | SK-BR-3 (Breast Adenocarcinoma) | 40 | 0.32 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Activated point mutants of FGFR2 | |
| Antigen activates B Cell Receptor (BCR) leading to generation of second messenge | |
| BMAL1:CLOCK,NPAS2 activates circadian gene expression | |
| CD28 co-stimulation | |
| CD28 dependent PI3K/Akt signaling | |
| CD28 dependent Vav1 pathway | |
| CDO in myogenesis | |
| Cell surface interactions at the vascular wall | |
| Circadian Clock | |
| Constitutive PI3K/AKT Signaling in Cancer | |
| Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants | |
| Constitutive Signaling by NOTCH1 PEST Domain Mutants | |
| CTLA4 inhibitory signaling | |
| DAP12 signaling | |
| deactivation of the beta-catenin transactivating complex | |
| Downregulation of ERBB2:ERBB3 signaling | |
| Downregulation of SMAD2/3:SMAD4 transcriptional activity | |
| Downstream TCR signaling | |
| EGFR downregulation | |
| EGFR interacts with phospholipase C-gamma | |
| EGFR Transactivation by Gastrin | |
| EPH-ephrin mediated repulsion of cells | |
| EPH-Ephrin signaling | |
| EPHA-mediated growth cone collapse | |
| EPHB-mediated forward signaling | |
| Factors involved in megakaryocyte development and platelet production | |
| Fc epsilon receptor (FCERI) signaling | |
| FCERI mediated Ca+2 mobilization | |
| FCERI mediated MAPK activation | |
| FCERI mediated NF-kB activation | |
| FCGR activation | |
| formation of the beta-catenin:TCF transactivating complex | |
| G0 and Early G1 | |
| GAB1 signalosome | |
| Generation of second messenger molecules | |
| GPVI-mediated activation cascade | |
| GRB2 events in EGFR signaling | |
| GRB2 events in ERBB2 signaling | |
| GRB7 events in ERBB2 signaling | |
| Growth hormone receptor signaling | |
| HDACs deacetylate histones | |
| HSF1 activation | |
| Integrin cell surface interactions | |
| Interleukin-2 signaling | |
| Nef and signal transduction | |
| Nef Mediated CD4 Down-regulation | |
| Neurophilin interactions with VEGF and VEGFR | |
| NoRC negatively regulates rRNA expression | |
| NOTCH1 Intracellular Domain Regulates Transcription | |
| p75NTR negatively regulates cell cycle via SC1 | |
| PD-1 signaling | |
| PECAM1 interactions | |
| Phosphorylation of CD3 and TCR zeta chains | |
| PI3K events in ERBB2 signaling | |
| PIP3 activates AKT signaling | |
| Platelet Adhesion to exposed collagen | |
| PLCG1 events in ERBB2 signaling | |
| PPARA activates gene expression | |
| Regulation of actin dynamics for phagocytic cup formation | |
| Regulation of KIT signaling | |
| Regulation of lipid metabolism by Peroxisome proliferator-activated receptor alp | |
| Regulation of signaling by CBL | |
| repression of WNT target genes | |
| REV-ERBA represses gene expression | |
| RNA Polymerase I Transcription Initiation | |
| Role of Abl in Robo-Slit signaling | |
| Role of LAT2/NTAL/LAB on calcium mobilization | |
| RORA activates circadian gene expression | |
| Sema4D induced cell migration and growth-cone collapse | |
| SHC1 events in EGFR signaling | |
| SHC1 events in ERBB2 signaling | |
| Signal transduction by L1 | |
| Signaling by constitutively active EGFR | |
| Signaling by EGFR | |
| Signaling by ERBB2 | |
| Signaling by ERBB4 | |
| Signaling by FGFR mutants | |
| Signaling by FGFR2 amplification mutants | |
| Signaling by SCF-KIT | |
| SMAD2/SMAD3:SMAD4 heterotrimer regulates transcription | |
| Transcriptional activation of mitochondrial biogenesis | |
| Transcriptional regulation of white adipocyte differentiation | |
| Translocation of ZAP-70 to Immunological synapse | |
| VEGF binds to VEGFR leading to receptor dimerization | |
| VEGFA-VEGFR2 Pathway | |
| VEGFR2 mediated cell proliferation |
