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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Insulin-like growth factor I receptor' and Ligand = 'BDBM27783'   
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 I receptor


(Homo sapiens (Human))
BDBM27783
PNG
(2-fluoro-6-{[2-({2-methoxy-4-[4-(propan-2-yl)piper...)
Show SMILES COc1cc(ccc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1)N1CCN(CC1)C(C)C
Show InChI InChI=1S/C27H31FN8O2/c1-16(2)35-11-13-36(14-12-35)17-7-8-20(22(15-17)38-3)32-27-33-25-18(9-10-30-25)26(34-27)31-21-6-4-5-19(28)23(21)24(29)37/h4-10,15-16H,11-14H2,1-3H3,(H2,29,37)(H3,30,31,32,33,34)
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n/an/a 2n/an/an/an/a7.522



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified activated GST-IGF-1R in th...


Bioorg Med Chem Lett 19: 360-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.077
BindingDB Entry DOI: 10.7270/Q2NZ85ZT
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM27783
PNG
(2-fluoro-6-{[2-({2-methoxy-4-[4-(propan-2-yl)piper...)
Show SMILES COc1cc(ccc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1)N1CCN(CC1)C(C)C
Show InChI InChI=1S/C27H31FN8O2/c1-16(2)35-11-13-36(14-12-35)17-7-8-20(22(15-17)38-3)32-27-33-25-18(9-10-30-25)26(34-27)31-21-6-4-5-19(28)23(21)24(29)37/h4-10,15-16H,11-14H2,1-3H3,(H2,29,37)(H3,30,31,32,33,34)
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n/an/a 2n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of IGF1R


Bioorg Med Chem Lett 19: 373-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.065
BindingDB Entry DOI: 10.7270/Q2F190PC
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM27783
PNG
(2-fluoro-6-{[2-({2-methoxy-4-[4-(propan-2-yl)piper...)
Show SMILES COc1cc(ccc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1)N1CCN(CC1)C(C)C
Show InChI InChI=1S/C27H31FN8O2/c1-16(2)35-11-13-36(14-12-35)17-7-8-20(22(15-17)38-3)32-27-33-25-18(9-10-30-25)26(34-27)31-21-6-4-5-19(28)23(21)24(29)37/h4-10,15-16H,11-14H2,1-3H3,(H2,29,37)(H3,30,31,32,33,34)
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PubMed
n/an/a 2n/an/an/an/a7.522



GSK



Assay Description
Assays are performed in 384-well microtiter plates in reaction buffer containing biotinylated substrate, ATP, and purified activated GST-IGF-1R in th...


Bioorg Med Chem Lett 19: 469-73 (2009)


Article DOI: 10.1016/j.bmcl.2008.11.046
BindingDB Entry DOI: 10.7270/Q2J67F88
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM27783
PNG
(2-fluoro-6-{[2-({2-methoxy-4-[4-(propan-2-yl)piper...)
Show SMILES COc1cc(ccc1Nc1nc(Nc2cccc(F)c2C(N)=O)c2cc[nH]c2n1)N1CCN(CC1)C(C)C
Show InChI InChI=1S/C27H31FN8O2/c1-16(2)35-11-13-36(14-12-35)17-7-8-20(22(15-17)38-3)32-27-33-25-18(9-10-30-25)26(34-27)31-21-6-4-5-19(28)23(21)24(29)37/h4-10,15-16H,11-14H2,1-3H3,(H2,29,37)(H3,30,31,32,33,34)
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Article
PubMed
n/an/a 117n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of IGF1R phosphorylation by cellular assay


Bioorg Med Chem Lett 19: 373-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.065
BindingDB Entry DOI: 10.7270/Q2F190PC
More data for this
Ligand-Target Pair