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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 = 'BDBM50158429'   
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))
BDBM50158429
PNG
(CHEMBL3785500)
Show SMILES Nc1ncnc2n(cc(-c3cccc(OCC45CCC(CC4)O5)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wD:25.29,27.32,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.92,;4.34,4.35,;3.39,5.56,;1.86,5.34,;.91,6.56,;1.49,7.99,;.54,9.2,;-.78,8.6,;-1.87,9.66,;-1.5,11.15,;-.02,11.55,;1.07,10.5,;-.08,10.34,;1.29,3.91,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.26,;4.58,-6.69,;5.27,-8.03,;6.62,-7.29,;5.88,-5.94,;1.42,-3.96,)|
Show InChI InChI=1/C27H33N5O2/c28-25-24-23(19-3-1-4-22(13-19)33-16-27-7-5-21(34-27)6-8-27)15-32(26(24)30-17-29-25)20-11-18(12-20)14-31-9-2-10-31/h1,3-4,13,15,17-18,20-21H,2,5-12,14,16H2,(H2,28,29,30)/t18-,20+,21?,27?
PDB
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n/an/a 14n/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))
BDBM50158429
PNG
(CHEMBL3785500)
Show SMILES Nc1ncnc2n(cc(-c3cccc(OCC45CCC(CC4)O5)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wD:25.29,27.32,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.92,;4.34,4.35,;3.39,5.56,;1.86,5.34,;.91,6.56,;1.49,7.99,;.54,9.2,;-.78,8.6,;-1.87,9.66,;-1.5,11.15,;-.02,11.55,;1.07,10.5,;-.08,10.34,;1.29,3.91,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.26,;4.58,-6.69,;5.27,-8.03,;6.62,-7.29,;5.88,-5.94,;1.42,-3.96,)|
Show InChI InChI=1/C27H33N5O2/c28-25-24-23(19-3-1-4-22(13-19)33-16-27-7-5-21(34-27)6-8-27)15-32(26(24)30-17-29-25)20-11-18(12-20)14-31-9-2-10-31/h1,3-4,13,15,17-18,20-21H,2,5-12,14,16H2,(H2,28,29,30)/t18-,20+,21?,27?
PDB
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n/an/a 46n/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))
BDBM50158429
PNG
(CHEMBL3785500)
Show SMILES Nc1ncnc2n(cc(-c3cccc(OCC45CCC(CC4)O5)c3)c12)[C@@H]1C[C@H](CN2CCC2)C1 |r,wD:25.29,27.32,(-1.03,2.79,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.66,.02,;1.76,1.24,;2.23,2.7,;3.76,2.92,;4.34,4.35,;3.39,5.56,;1.86,5.34,;.91,6.56,;1.49,7.99,;.54,9.2,;-.78,8.6,;-1.87,9.66,;-1.5,11.15,;-.02,11.55,;1.07,10.5,;-.08,10.34,;1.29,3.91,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.26,;4.58,-6.69,;5.27,-8.03,;6.62,-7.29,;5.88,-5.94,;1.42,-3.96,)|
Show InChI InChI=1/C27H33N5O2/c28-25-24-23(19-3-1-4-22(13-19)33-16-27-7-5-21(34-27)6-8-27)15-32(26(24)30-17-29-25)20-11-18(12-20)14-31-9-2-10-31/h1,3-4,13,15,17-18,20-21H,2,5-12,14,16H2,(H2,28,29,30)/t18-,20+,21?,27?
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 53n/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