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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Insulin-like growth factor I receptor' and Ligand = 'BDBM50158428'   
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))
BDBM50158428
PNG
(CHEMBL3787567)
Show SMILES Nc1ncnc2n(cc(-c3cccc(OCC45CCC(CC4)O5)c3)c12)[C@@H]1C[C@H](CO)C1 |r,wD:25.29,27.32,(-1.03,2.79,;-1.03,1.56,;-2.38,.77,;-2.38,-.77,;-1.03,-1.56,;.3,-.77,;1.77,-1.24,;2.67,.02,;1.77,1.24,;2.24,2.71,;3.77,2.92,;4.35,4.36,;3.4,5.57,;1.87,5.35,;.91,6.57,;1.49,8.01,;.54,9.22,;-.78,8.63,;-1.88,9.69,;-1.51,11.18,;-.02,11.58,;1.07,10.52,;-.08,10.37,;1.29,3.92,;.3,.77,;2.25,-2.71,;3.55,-3.46,;2.75,-4.78,;3.11,-6.27,;4.29,-6.62,;1.43,-3.97,)|
Show InChI InChI=1/C24H28N4O3/c25-22-21-20(11-28(23(21)27-14-26-22)17-8-15(9-17)12-29)16-2-1-3-19(10-16)30-13-24-6-4-18(31-24)5-7-24/h1-3,10-11,14-15,17-18,29H,4-9,12-13H2,(H2,25,26,27)/t15-,17+,18?,24?
PDB
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n/an/a 11n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of full length IGF-1 receptor (unknown origin) transfected in Ba/F3 cells assessed as cell proliferation


Bioorg Med Chem Lett 26: 2057-64 (2016)


BindingDB Entry DOI: 10.7270/Q29K4D4J
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50158428
PNG
(CHEMBL3787567)
Show SMILES Nc1ncnc2n(cc(-c3cccc(OCC45CCC(CC4)O5)c3)c12)[C@@H]1C[C@H](CO)C1 |r,wD:25.29,27.32,(-1.03,2.79,;-1.03,1.56,;-2.38,.77,;-2.38,-.77,;-1.03,-1.56,;.3,-.77,;1.77,-1.24,;2.67,.02,;1.77,1.24,;2.24,2.71,;3.77,2.92,;4.35,4.36,;3.4,5.57,;1.87,5.35,;.91,6.57,;1.49,8.01,;.54,9.22,;-.78,8.63,;-1.88,9.69,;-1.51,11.18,;-.02,11.58,;1.07,10.52,;-.08,10.37,;1.29,3.92,;.3,.77,;2.25,-2.71,;3.55,-3.46,;2.75,-4.78,;3.11,-6.27,;4.29,-6.62,;1.43,-3.97,)|
Show InChI InChI=1/C24H28N4O3/c25-22-21-20(11-28(23(21)27-14-26-22)17-8-15(9-17)12-29)16-2-1-3-19(10-16)30-13-24-6-4-18(31-24)5-7-24/h1-3,10-11,14-15,17-18,29H,4-9,12-13H2,(H2,25,26,27)/t15-,17+,18?,24?
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n/an/a 33n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of IGF-1 receptor (unknown origin) in presence of [gamma33P]ATP


Bioorg Med Chem Lett 26: 2057-64 (2016)


BindingDB Entry DOI: 10.7270/Q29K4D4J
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50158428
PNG
(CHEMBL3787567)
Show SMILES Nc1ncnc2n(cc(-c3cccc(OCC45CCC(CC4)O5)c3)c12)[C@@H]1C[C@H](CO)C1 |r,wD:25.29,27.32,(-1.03,2.79,;-1.03,1.56,;-2.38,.77,;-2.38,-.77,;-1.03,-1.56,;.3,-.77,;1.77,-1.24,;2.67,.02,;1.77,1.24,;2.24,2.71,;3.77,2.92,;4.35,4.36,;3.4,5.57,;1.87,5.35,;.91,6.57,;1.49,8.01,;.54,9.22,;-.78,8.63,;-1.88,9.69,;-1.51,11.18,;-.02,11.58,;1.07,10.52,;-.08,10.37,;1.29,3.92,;.3,.77,;2.25,-2.71,;3.55,-3.46,;2.75,-4.78,;3.11,-6.27,;4.29,-6.62,;1.43,-3.97,)|
Show InChI InChI=1/C24H28N4O3/c25-22-21-20(11-28(23(21)27-14-26-22)17-8-15(9-17)12-29)16-2-1-3-19(10-16)30-13-24-6-4-18(31-24)5-7-24/h1-3,10-11,14-15,17-18,29H,4-9,12-13H2,(H2,25,26,27)/t15-,17+,18?,24?
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 128n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of full length IGF-1 receptor (unknown origin) autophosphorylation transfected in HEK293 cells pretreated for 60 mins followed by IGF-1 st...


Bioorg Med Chem Lett 26: 2057-64 (2016)


BindingDB Entry DOI: 10.7270/Q29K4D4J
More data for this
Ligand-Target Pair