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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 518.6
BDBM17722

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

Found 4 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
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM17722
PNG
(2,3-Diarylfuro[2,3-b]pyridine-4-amine, 18 | 3-phen...)
Show SMILES C(Cc1ccncc1)Nc1ccnc2oc(c(-c3ccccc3)c12)-c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C33H34N4O2/c1-3-7-26(8-4-1)30-31-29(35-19-15-25-13-17-34-18-14-25)16-20-36-33(31)39-32(30)27-9-11-28(12-10-27)38-24-23-37-21-5-2-6-22-37/h1,3-4,7-14,16-18,20H,2,5-6,15,19,21-24H2,(H,35,36)
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Article
PubMed
n/an/a 80n/an/an/an/an/an/a



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


Bioorg Med Chem Lett 17: 2299-304 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.048
BindingDB Entry DOI: 10.7270/Q2X34VQ9
More data for this
Ligand-Target Pair
Activated CDC42 kinase 1


(Homo sapiens (Human))
BDBM17722
PNG
(2,3-Diarylfuro[2,3-b]pyridine-4-amine, 18 | 3-phen...)
Show SMILES C(Cc1ccncc1)Nc1ccnc2oc(c(-c3ccccc3)c12)-c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C33H34N4O2/c1-3-7-26(8-4-1)30-31-29(35-19-15-25-13-17-34-18-14-25)16-20-36-33(31)39-32(30)27-9-11-28(12-10-27)38-24-23-37-21-5-2-6-22-37/h1,3-4,7-14,16-18,20H,2,5-6,15,19,21-24H2,(H,35,36)
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n/an/a 180n/an/an/an/an/an/a



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


Bioorg Med Chem Lett 17: 2299-304 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.048
BindingDB Entry DOI: 10.7270/Q2X34VQ9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM17722
PNG
(2,3-Diarylfuro[2,3-b]pyridine-4-amine, 18 | 3-phen...)
Show SMILES C(Cc1ccncc1)Nc1ccnc2oc(c(-c3ccccc3)c12)-c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C33H34N4O2/c1-3-7-26(8-4-1)30-31-29(35-19-15-25-13-17-34-18-14-25)16-20-36-33(31)39-32(30)27-9-11-28(12-10-27)38-24-23-37-21-5-2-6-22-37/h1,3-4,7-14,16-18,20H,2,5-6,15,19,21-24H2,(H,35,36)
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Article
PubMed
n/an/a 1.60E+3n/an/an/an/a7.522



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


Bioorg Med Chem Lett 17: 2299-304 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.048
BindingDB Entry DOI: 10.7270/Q2X34VQ9
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM17722
PNG
(2,3-Diarylfuro[2,3-b]pyridine-4-amine, 18 | 3-phen...)
Show SMILES C(Cc1ccncc1)Nc1ccnc2oc(c(-c3ccccc3)c12)-c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C33H34N4O2/c1-3-7-26(8-4-1)30-31-29(35-19-15-25-13-17-34-18-14-25)16-20-36-33(31)39-32(30)27-9-11-28(12-10-27)38-24-23-37-21-5-2-6-22-37/h1,3-4,7-14,16-18,20H,2,5-6,15,19,21-24H2,(H,35,36)
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Article
PubMed
n/an/a 4.70E+3n/an/an/an/a7.522



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


Bioorg Med Chem Lett 17: 2299-304 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.048
BindingDB Entry DOI: 10.7270/Q2X34VQ9
More data for this
Ligand-Target Pair