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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 = 'BDBM50158489'   
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))
BDBM50158489
PNG
(CHEMBL3786558)
Show SMILES CC12CCC(COc3cccc(c3)-c3cn([C@@H]4C[C@H](CO)C4)c4ncnc(N)c34)(CC1)O2 |r,wD:16.16,18.19,(.1,11.39,;.34,10.18,;-.59,8.36,;-.43,7.48,;.54,9.2,;1.49,7.98,;.91,6.55,;1.86,5.34,;3.38,5.55,;4.33,4.34,;3.76,2.91,;2.23,2.7,;1.29,3.91,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.25,;4.28,-6.6,;1.42,-3.96,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;-1.03,2.79,;.3,.77,;2.22,9.74,;2.09,10.51,;-.91,11.09,)|
Show InChI InChI=1/C25H30N4O3/c1-24-5-7-25(32-24,8-6-24)14-31-19-4-2-3-17(11-19)20-12-29(18-9-16(10-18)13-30)23-21(20)22(26)27-15-28-23/h2-4,11-12,15-16,18,30H,5-10,13-14H2,1H3,(H2,26,27,28)/t16-,18+,24?,25?
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n/an/a 29n/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))
BDBM50158489
PNG
(CHEMBL3786558)
Show SMILES CC12CCC(COc3cccc(c3)-c3cn([C@@H]4C[C@H](CO)C4)c4ncnc(N)c34)(CC1)O2 |r,wD:16.16,18.19,(.1,11.39,;.34,10.18,;-.59,8.36,;-.43,7.48,;.54,9.2,;1.49,7.98,;.91,6.55,;1.86,5.34,;3.38,5.55,;4.33,4.34,;3.76,2.91,;2.23,2.7,;1.29,3.91,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.25,;4.28,-6.6,;1.42,-3.96,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;-1.03,2.79,;.3,.77,;2.22,9.74,;2.09,10.51,;-.91,11.09,)|
Show InChI InChI=1/C25H30N4O3/c1-24-5-7-25(32-24,8-6-24)14-31-19-4-2-3-17(11-19)20-12-29(18-9-16(10-18)13-30)23-21(20)22(26)27-15-28-23/h2-4,11-12,15-16,18,30H,5-10,13-14H2,1H3,(H2,26,27,28)/t16-,18+,24?,25?
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n/an/a 47n/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))
BDBM50158489
PNG
(CHEMBL3786558)
Show SMILES CC12CCC(COc3cccc(c3)-c3cn([C@@H]4C[C@H](CO)C4)c4ncnc(N)c34)(CC1)O2 |r,wD:16.16,18.19,(.1,11.39,;.34,10.18,;-.59,8.36,;-.43,7.48,;.54,9.2,;1.49,7.98,;.91,6.55,;1.86,5.34,;3.38,5.55,;4.33,4.34,;3.76,2.91,;2.23,2.7,;1.29,3.91,;1.76,1.24,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.25,;4.28,-6.6,;1.42,-3.96,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;-1.03,2.79,;.3,.77,;2.22,9.74,;2.09,10.51,;-.91,11.09,)|
Show InChI InChI=1/C25H30N4O3/c1-24-5-7-25(32-24,8-6-24)14-31-19-4-2-3-17(11-19)20-12-29(18-9-16(10-18)13-30)23-21(20)22(26)27-15-28-23/h2-4,11-12,15-16,18,30H,5-10,13-14H2,1H3,(H2,26,27,28)/t16-,18+,24?,25?
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 183n/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