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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 498.5
BDBM445211

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 6 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM445211
PNG
((Z)-Methyl 3-(((4-((2-(dimethylamino)ethyl)carbamo...)
Show SMILES COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)NCCN(C)C)c3ccccc3)c2cc1C
Show InChI InChI=1S/C29H30N4O4/c1-18-16-23-24(17-22(18)29(36)37-4)32-28(35)25(23)26(19-8-6-5-7-9-19)31-21-12-10-20(11-13-21)27(34)30-14-15-33(2)3/h5-13,16-17,31H,14-15H2,1-4H3,(H,30,34)(H,32,35)/b26-25-
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11.1n/an/an/an/an/an/an/an/a



RESPIVERT LIMITED

US Patent


Assay Description
The inhibitory activities of compounds of the invention against PDGFRβ (PDGFRβ Kinase Enzyme System: Promega), were evaluated by mixing the...


US Patent US10669235 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4NVJ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 3


(Homo sapiens (Human))
BDBM445211
PNG
((Z)-Methyl 3-(((4-((2-(dimethylamino)ethyl)carbamo...)
Show SMILES COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)NCCN(C)C)c3ccccc3)c2cc1C
Show InChI InChI=1S/C29H30N4O4/c1-18-16-23-24(17-22(18)29(36)37-4)32-28(35)25(23)26(19-8-6-5-7-9-19)31-21-12-10-20(11-13-21)27(34)30-14-15-33(2)3/h5-13,16-17,31H,14-15H2,1-4H3,(H,30,34)(H,32,35)/b26-25-
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14.8n/an/an/an/an/an/an/an/a



RESPIVERT LIMITED

US Patent


Assay Description
The inhibitory activities of compounds of the invention against FGFR3 (FGFR3 Kinase Enzyme System: Promega), were evaluated by mixing the FGFR3 prote...


US Patent US10669235 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4NVJ
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM445211
PNG
((Z)-Methyl 3-(((4-((2-(dimethylamino)ethyl)carbamo...)
Show SMILES COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)NCCN(C)C)c3ccccc3)c2cc1C
Show InChI InChI=1S/C29H30N4O4/c1-18-16-23-24(17-22(18)29(36)37-4)32-28(35)25(23)26(19-8-6-5-7-9-19)31-21-12-10-20(11-13-21)27(34)30-14-15-33(2)3/h5-13,16-17,31H,14-15H2,1-4H3,(H,30,34)(H,32,35)/b26-25-
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18.2n/an/an/an/an/an/an/an/a



RESPIVERT LIMITED

US Patent


Assay Description
The inhibitory activities of compounds of the invention against PDGFRα (PDGFRα Kinase Enzyme System: Promega), were evaluated by mixing the...


US Patent US10669235 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4NVJ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM445211
PNG
((Z)-Methyl 3-(((4-((2-(dimethylamino)ethyl)carbamo...)
Show SMILES COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)NCCN(C)C)c3ccccc3)c2cc1C
Show InChI InChI=1S/C29H30N4O4/c1-18-16-23-24(17-22(18)29(36)37-4)32-28(35)25(23)26(19-8-6-5-7-9-19)31-21-12-10-20(11-13-21)27(34)30-14-15-33(2)3/h5-13,16-17,31H,14-15H2,1-4H3,(H,30,34)(H,32,35)/b26-25-
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28.8n/an/an/an/an/an/an/an/a



RESPIVERT LIMITED

US Patent


Assay Description
The inhibitory activities of compounds of the invention against VEGFR2 (VEGFR2 Kinase Enzyme System: Promega), were evaluated by mixing the VEGFR2 pr...


US Patent US10669235 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4NVJ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM445211
PNG
((Z)-Methyl 3-(((4-((2-(dimethylamino)ethyl)carbamo...)
Show SMILES COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)NCCN(C)C)c3ccccc3)c2cc1C
Show InChI InChI=1S/C29H30N4O4/c1-18-16-23-24(17-22(18)29(36)37-4)32-28(35)25(23)26(19-8-6-5-7-9-19)31-21-12-10-20(11-13-21)27(34)30-14-15-33(2)3/h5-13,16-17,31H,14-15H2,1-4H3,(H,30,34)(H,32,35)/b26-25-
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44.9n/an/an/an/an/an/an/an/a



RESPIVERT LIMITED

US Patent


Assay Description
The inhibitory activities of compounds of the invention against FGFR1 (FGFR1 Kinase Enzyme System: Promega), were evaluated by mixing the FGFR1 prote...


US Patent US10669235 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4NVJ
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM445211
PNG
((Z)-Methyl 3-(((4-((2-(dimethylamino)ethyl)carbamo...)
Show SMILES COC(=O)c1cc2NC(=O)\C(=C(/Nc3ccc(cc3)C(=O)NCCN(C)C)c3ccccc3)c2cc1C
Show InChI InChI=1S/C29H30N4O4/c1-18-16-23-24(17-22(18)29(36)37-4)32-28(35)25(23)26(19-8-6-5-7-9-19)31-21-12-10-20(11-13-21)27(34)30-14-15-33(2)3/h5-13,16-17,31H,14-15H2,1-4H3,(H,30,34)(H,32,35)/b26-25-
PDB
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US Patent
123n/an/an/an/an/an/an/an/a



RESPIVERT LIMITED

US Patent


Assay Description
The inhibitory activities of compounds of the invention against VEGFR1 (VEGFR1 Kinase Enzyme System: Promega), were evaluated by mixing the VEGFR1 pr...


US Patent US10669235 (2020)


BindingDB Entry DOI: 10.7270/Q2XW4NVJ
More data for this
Ligand-Target Pair