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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Insulin-like growth factor 1 receptor' and Ligand = 'BDBM50327947'   
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
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50327947
PNG
(CHEMBL1256432 | trans-N-(4-(4-amino-1-(4-(4-methyl...)
Show SMILES CN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1nc(-c2ccc(Nc3nc4cccc(Cl)c4o3)c(F)c2)c2c(N)ncnc12 |r,wU:10.14,wD:7.7,(-3.03,-35.57,;-3.49,-34.1,;-5,-33.77,;-5.46,-32.31,;-4.43,-31.17,;-2.92,-31.49,;-2.45,-32.96,;-4.9,-29.71,;-3.86,-28.56,;-4.33,-27.09,;-5.84,-26.77,;-6.87,-27.92,;-6.4,-29.38,;-6.32,-25.31,;-5.42,-24.07,;-6.32,-22.82,;-5.55,-21.49,;-4.01,-21.49,;-3.24,-20.16,;-4.02,-18.82,;-3.25,-17.49,;-1.71,-17.48,;-.81,-16.22,;.66,-16.69,;1.97,-15.92,;3.3,-16.68,;3.31,-18.22,;1.98,-18.99,;1.99,-20.53,;.66,-18.23,;-.8,-18.71,;-5.56,-18.83,;-6.34,-17.5,;-6.32,-20.17,;-7.78,-23.3,;-9.11,-22.53,;-9.11,-20.99,;-10.45,-23.3,;-10.45,-24.84,;-9.11,-25.61,;-7.78,-24.84,)|
Show InChI InChI=1S/C29H31ClFN9O/c1-38-11-13-39(14-12-38)18-6-8-19(9-7-18)40-28-24(27(32)33-16-34-28)25(37-40)17-5-10-22(21(31)15-17)35-29-36-23-4-2-3-20(30)26(23)41-29/h2-5,10,15-16,18-19H,6-9,11-14H2,1H3,(H,35,36)(H2,32,33,34)/t18-,19-
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n/an/a 7.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of IGF1R


Bioorg Med Chem Lett 20: 6067-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.052
BindingDB Entry DOI: 10.7270/Q29S1R7Z
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50327947
PNG
(CHEMBL1256432 | trans-N-(4-(4-amino-1-(4-(4-methyl...)
Show SMILES CN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1nc(-c2ccc(Nc3nc4cccc(Cl)c4o3)c(F)c2)c2c(N)ncnc12 |r,wU:10.14,wD:7.7,(-3.03,-35.57,;-3.49,-34.1,;-5,-33.77,;-5.46,-32.31,;-4.43,-31.17,;-2.92,-31.49,;-2.45,-32.96,;-4.9,-29.71,;-3.86,-28.56,;-4.33,-27.09,;-5.84,-26.77,;-6.87,-27.92,;-6.4,-29.38,;-6.32,-25.31,;-5.42,-24.07,;-6.32,-22.82,;-5.55,-21.49,;-4.01,-21.49,;-3.24,-20.16,;-4.02,-18.82,;-3.25,-17.49,;-1.71,-17.48,;-.81,-16.22,;.66,-16.69,;1.97,-15.92,;3.3,-16.68,;3.31,-18.22,;1.98,-18.99,;1.99,-20.53,;.66,-18.23,;-.8,-18.71,;-5.56,-18.83,;-6.34,-17.5,;-6.32,-20.17,;-7.78,-23.3,;-9.11,-22.53,;-9.11,-20.99,;-10.45,-23.3,;-10.45,-24.84,;-9.11,-25.61,;-7.78,-24.84,)|
Show InChI InChI=1S/C29H31ClFN9O/c1-38-11-13-39(14-12-38)18-6-8-19(9-7-18)40-28-24(27(32)33-16-34-28)25(37-40)17-5-10-22(21(31)15-17)35-29-36-23-4-2-3-20(30)26(23)41-29/h2-5,10,15-16,18-19H,6-9,11-14H2,1H3,(H,35,36)(H2,32,33,34)/t18-,19-
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n/an/a 7.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Homo sapiens (human) recombinant C-terminal GST-tagged IGF1R expressed in baculovirus infected Sf21 cells by homogeneous time-resolved ...


Citation and Details

Article DOI: 10.1007/s00044-011-9877-9
BindingDB Entry DOI: 10.7270/Q2BV7KHR
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50327947
PNG
(CHEMBL1256432 | trans-N-(4-(4-amino-1-(4-(4-methyl...)
Show SMILES CN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1nc(-c2ccc(Nc3nc4cccc(Cl)c4o3)c(F)c2)c2c(N)ncnc12 |r,wU:10.14,wD:7.7,(-3.03,-35.57,;-3.49,-34.1,;-5,-33.77,;-5.46,-32.31,;-4.43,-31.17,;-2.92,-31.49,;-2.45,-32.96,;-4.9,-29.71,;-3.86,-28.56,;-4.33,-27.09,;-5.84,-26.77,;-6.87,-27.92,;-6.4,-29.38,;-6.32,-25.31,;-5.42,-24.07,;-6.32,-22.82,;-5.55,-21.49,;-4.01,-21.49,;-3.24,-20.16,;-4.02,-18.82,;-3.25,-17.49,;-1.71,-17.48,;-.81,-16.22,;.66,-16.69,;1.97,-15.92,;3.3,-16.68,;3.31,-18.22,;1.98,-18.99,;1.99,-20.53,;.66,-18.23,;-.8,-18.71,;-5.56,-18.83,;-6.34,-17.5,;-6.32,-20.17,;-7.78,-23.3,;-9.11,-22.53,;-9.11,-20.99,;-10.45,-23.3,;-10.45,-24.84,;-9.11,-25.61,;-7.78,-24.84,)|
Show InChI InChI=1S/C29H31ClFN9O/c1-38-11-13-39(14-12-38)18-6-8-19(9-7-18)40-28-24(27(32)33-16-34-28)25(37-40)17-5-10-22(21(31)15-17)35-29-36-23-4-2-3-20(30)26(23)41-29/h2-5,10,15-16,18-19H,6-9,11-14H2,1H3,(H,35,36)(H2,32,33,34)/t18-,19-
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n/an/a 7.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Homo sapiens (human) recombinant C-terminal GST-tagged IGF1R expressed in baculovirus infected Sf21 cells by homogeneous time-resolved ...


Citation and Details

Article DOI: 10.1007/s00044-011-9877-9
BindingDB Entry DOI: 10.7270/Q2BV7KHR
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50327947
PNG
(CHEMBL1256432 | trans-N-(4-(4-amino-1-(4-(4-methyl...)
Show SMILES CN1CCN(CC1)[C@H]1CC[C@@H](CC1)n1nc(-c2ccc(Nc3nc4cccc(Cl)c4o3)c(F)c2)c2c(N)ncnc12 |r,wU:10.14,wD:7.7,(-3.03,-35.57,;-3.49,-34.1,;-5,-33.77,;-5.46,-32.31,;-4.43,-31.17,;-2.92,-31.49,;-2.45,-32.96,;-4.9,-29.71,;-3.86,-28.56,;-4.33,-27.09,;-5.84,-26.77,;-6.87,-27.92,;-6.4,-29.38,;-6.32,-25.31,;-5.42,-24.07,;-6.32,-22.82,;-5.55,-21.49,;-4.01,-21.49,;-3.24,-20.16,;-4.02,-18.82,;-3.25,-17.49,;-1.71,-17.48,;-.81,-16.22,;.66,-16.69,;1.97,-15.92,;3.3,-16.68,;3.31,-18.22,;1.98,-18.99,;1.99,-20.53,;.66,-18.23,;-.8,-18.71,;-5.56,-18.83,;-6.34,-17.5,;-6.32,-20.17,;-7.78,-23.3,;-9.11,-22.53,;-9.11,-20.99,;-10.45,-23.3,;-10.45,-24.84,;-9.11,-25.61,;-7.78,-24.84,)|
Show InChI InChI=1S/C29H31ClFN9O/c1-38-11-13-39(14-12-38)18-6-8-19(9-7-18)40-28-24(27(32)33-16-34-28)25(37-40)17-5-10-22(21(31)15-17)35-29-36-23-4-2-3-20(30)26(23)41-29/h2-5,10,15-16,18-19H,6-9,11-14H2,1H3,(H,35,36)(H2,32,33,34)/t18-,19-
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PubMed
n/an/a 87n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of IGF1R phosphorylation in human MIAPaCa cells by ELISA


Bioorg Med Chem Lett 20: 6067-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.052
BindingDB Entry DOI: 10.7270/Q29S1R7Z
More data for this
Ligand-Target Pair