| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 16th, 2008 | 40 | No |
Popular Name: BIBF 1120 BIBF 1120
Find On: PubMed — Wikipedia — Google
CAS Numbers: 656247-17-5 , 656247-18-6 , 928326-83-4
| 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) | 4.16 | 11.6 | -47.6 | 3 | 9 | 1 | 99 | 540.644 | 8 | ↓ |
| Ref Reference (pH 7) | 4.16 | 11.94 | -48.76 | 3 | 9 | 1 | 99 | 540.644 | 8 | ↓ |
| Ref Reference (pH 7) | 4.62 | 8.82 | -50.42 | 3 | 9 | 1 | 99 | 540.644 | 8 | ↓ |
| Hi High (pH 8-9.5) | 4.16 | 9.57 | -21.96 | 2 | 9 | 0 | 98 | 539.636 | 8 | ↓ |
| Hi High (pH 8-9.5) | 4.16 | 9.22 | -16.93 | 2 | 9 | 0 | 98 | 539.636 | 8 | ↓ |
| Hi High (pH 8-9.5) | 4.62 | 6.44 | -18.57 | 2 | 9 | 0 | 98 | 539.636 | 8 | ↓ |
| Mid Mid (pH 6-8) | 4.16 | 11.82 | -51.87 | 3 | 9 | 1 | 99 | 540.644 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FGFR1-1-E | Fibroblast Growth Factor Receptor 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 69 | 0.25 | Binding ≤ 10μM |
| FGFR2-1-E | Fibroblast Growth Factor Receptor 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 37 | 0.26 | Binding ≤ 10μM |
| FGFR3-1-E | Fibroblast Growth Factor Receptor 3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 108 | 0.24 | Binding ≤ 10μM |
| FGFR4-1-E | Fibroblast Growth Factor Receptor 4 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 610 | 0.22 | Binding ≤ 10μM |
| FLT3-1-E | Tyrosine-protein Kinase Receptor FLT3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 26 | 0.27 | Binding ≤ 10μM |
| LCK-3-E | Tyrosine-protein Kinase LCK (cluster #3 Of 4), Eukaryotic | Eukaryotes | 16 | 0.27 | Binding ≤ 10μM |
| LYN-1-E | Tyrosine-protein Kinase Lyn (cluster #1 Of 1), Eukaryotic | Eukaryotes | 195 | 0.23 | Binding ≤ 10μM |
| PGFRA-1-E | Platelet-derived Growth Factor Receptor Alpha (cluster #1 Of 2), Eukaryotic | Eukaryotes | 59 | 0.25 | Binding ≤ 10μM |
| PGFRB-1-E | Platelet-derived Growth Factor Receptor Beta (cluster #1 Of 1), Eukaryotic | Eukaryotes | 65 | 0.25 | Binding ≤ 10μM |
| SRC-1-E | Tyrosine-protein Kinase SRC (cluster #1 Of 3), Eukaryotic | Eukaryotes | 156 | 0.24 | Binding ≤ 10μM |
| VGFR1-1-E | Vascular Endothelial Growth Factor Receptor 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 34 | 0.26 | Binding ≤ 10μM |
| VGFR2-1-E | Vascular Endothelial Growth Factor Receptor 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 5 | 0.29 | Binding ≤ 10μM |
| VGFR3-1-E | Vascular Endothelial Growth Factor Receptor 3 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 5 | 0.29 | Binding ≤ 10μM |
| Z81057-1-O | HUVEC (Umbilical Vein Endothelial Cells) (cluster #1 Of 4), Other | Other | 9 | 0.28 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FGFR1_HUMAN | P11362 | Fibroblast Growth Factor Receptor 1, Human | 38 | 0.26 | Binding ≤ 1μM |
| FGFR2_HUMAN | P21802 | Fibroblast Growth Factor Receptor 2, Human | 37 | 0.26 | Binding ≤ 1μM |
| FGFR3_HUMAN | P22607 | Fibroblast Growth Factor Receptor 3, Human | 108 | 0.24 | Binding ≤ 1μM |
| FGFR4_HUMAN | P22455 | Fibroblast Growth Factor Receptor 4, Human | 610 | 0.22 | Binding ≤ 1μM |
| PGFRA_HUMAN | P16234 | Platelet-derived Growth Factor Receptor Alpha, Human | 18 | 0.27 | Binding ≤ 1μM |
| PGFRB_HUMAN | P09619 | Platelet-derived Growth Factor Receptor Beta, Human | 65 | 0.25 | Binding ≤ 1μM |
| LCK_HUMAN | P06239 | Tyrosine-protein Kinase LCK, Human | 16 | 0.27 | Binding ≤ 1μM |
| LYN_HUMAN | P07948 | Tyrosine-protein Kinase Lyn, Human | 195 | 0.23 | Binding ≤ 1μM |
| FLT3_HUMAN | P36888 | Tyrosine-protein Kinase Receptor FLT3, Human | 26 | 0.27 | Binding ≤ 1μM |
| SRC_HUMAN | P12931 | Tyrosine-protein Kinase SRC, Human | 156 | 0.24 | Binding ≤ 1μM |
| VGFR1_HUMAN | P17948 | Vascular Endothelial Growth Factor Receptor 1, Human | 104 | 0.24 | Binding ≤ 1μM |
| VGFR2_HUMAN | P35968 | Vascular Endothelial Growth Factor Receptor 2, Human | 21 | 0.27 | Binding ≤ 1μM |
| VGFR2_MOUSE | P35918 | Vascular Endothelial Growth Factor Receptor 2, Mouse | 13 | 0.28 | Binding ≤ 1μM |
| VGFR3_HUMAN | P35916 | Vascular Endothelial Growth Factor Receptor 3, Human | 13 | 0.28 | Binding ≤ 1μM |
| FGFR1_HUMAN | P11362 | Fibroblast Growth Factor Receptor 1, Human | 38 | 0.26 | Binding ≤ 10μM |
| FGFR2_HUMAN | P21802 | Fibroblast Growth Factor Receptor 2, Human | 37 | 0.26 | Binding ≤ 10μM |
| FGFR3_HUMAN | P22607 | Fibroblast Growth Factor Receptor 3, Human | 108 | 0.24 | Binding ≤ 10μM |
| FGFR4_HUMAN | P22455 | Fibroblast Growth Factor Receptor 4, Human | 610 | 0.22 | Binding ≤ 10μM |
| PGFRA_HUMAN | P16234 | Platelet-derived Growth Factor Receptor Alpha, Human | 18 | 0.27 | Binding ≤ 10μM |
| PGFRB_HUMAN | P09619 | Platelet-derived Growth Factor Receptor Beta, Human | 65 | 0.25 | Binding ≤ 10μM |
| LCK_HUMAN | P06239 | Tyrosine-protein Kinase LCK, Human | 16 | 0.27 | Binding ≤ 10μM |
| LYN_HUMAN | P07948 | Tyrosine-protein Kinase Lyn, Human | 195 | 0.23 | Binding ≤ 10μM |
| FLT3_HUMAN | P36888 | Tyrosine-protein Kinase Receptor FLT3, Human | 26 | 0.27 | Binding ≤ 10μM |
| SRC_HUMAN | P12931 | Tyrosine-protein Kinase SRC, Human | 156 | 0.24 | Binding ≤ 10μM |
| VGFR1_HUMAN | P17948 | Vascular Endothelial Growth Factor Receptor 1, Human | 104 | 0.24 | Binding ≤ 10μM |
| VGFR2_HUMAN | P35968 | Vascular Endothelial Growth Factor Receptor 2, Human | 21 | 0.27 | Binding ≤ 10μM |
| VGFR2_MOUSE | P35918 | Vascular Endothelial Growth Factor Receptor 2, Mouse | 13 | 0.28 | Binding ≤ 10μM |
| VGFR3_HUMAN | P35916 | Vascular Endothelial Growth Factor Receptor 3, Human | 13 | 0.28 | Binding ≤ 10μM |
| Z81057 | Z81057 | HUVEC (Umbilical Vein Endothelial Cells) | 10 | 0.28 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Activated point mutants of FGFR2 | |
| Antigen activates B Cell Receptor (BCR) leading to generation of second messenge | |
| betaKlotho-mediated ligand binding | |
| CD28 co-stimulation | |
| CD28 dependent PI3K/Akt signaling | |
| CD28 dependent Vav1 pathway | |
| Cell surface interactions at the vascular wall | |
| Constitutive PI3K/AKT Signaling in Cancer | |
| CTLA4 inhibitory signaling | |
| DAP12 signaling | |
| Downstream signal transduction | |
| Downstream TCR signaling | |
| EPH-ephrin mediated repulsion of cells | |
| EPH-Ephrin signaling | |
| EPHA-mediated growth cone collapse | |
| EPHB-mediated forward signaling | |
| Fc epsilon receptor (FCERI) signaling | |
| FCERI mediated Ca+2 mobilization | |
| FCERI mediated MAPK activation | |
| FCERI mediated NF-kB activation | |
| FCGR activation | |
| FGFR4 ligand binding and activation | |
| FRS2-mediated cascade | |
| Generation of second messenger molecules | |
| GPVI-mediated activation cascade | |
| Growth hormone receptor signaling | |
| Integrin cell surface interactions | |
| Interleukin-2 signaling | |
| Nef and signal transduction | |
| Nef Mediated CD4 Down-regulation | |
| Negative regulation of FGFR signaling | |
| Neurophilin interactions with VEGF and VEGFR | |
| PD-1 signaling | |
| PECAM1 interactions | |
| Phospholipase C-mediated cascade | |
| Phosphorylation of CD3 and TCR zeta chains | |
| PI-3K cascade | |
| PI3K Cascade | |
| PIP3 activates AKT signaling | |
| Platelet Adhesion to exposed collagen | |
| Regulation of KIT signaling | |
| Regulation of signaling by CBL | |
| Role of LAT2/NTAL/LAB on calcium mobilization | |
| SHC-mediated cascade | |
| Signaling by activated point mutants of FGFR1 | |
| Signaling by activated point mutants of FGFR3 | |
| Signaling by ERBB2 | |
| Signaling by FGFR mutants | |
| Signaling by FGFR2 amplification mutants | |
| Signaling by FGFR3 mutants | |
| Signaling by FGFR4 mutants | |
| Signaling by PDGF | |
| Signaling by SCF-KIT | |
| t(4;14) translocations of FGFR3 | |
| Translocation of ZAP-70 to Immunological synapse | |
| VEGF binds to VEGFR leading to receptor dimerization | |
| VEGFA-VEGFR2 Pathway | |
| VEGFR2 mediated cell proliferation |
No pre-computed analogs available. Try a structural similarity search.