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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 = 'BDBM50158507'   
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))
BDBM50158507
PNG
(CHEMBL3787436)
Show SMILES Nc1ncnc2n(cc(-c3cc(OC[C@@H]4CCCO4)ccc3F)c12)[C@@H]1C[C@H](CN2CC[S+]([O-])CC2)C1 |r,wU:14.13,wD:24.27,26.30,(-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,;3.76,2.91,;4.33,4.34,;5.86,4.56,;6.43,5.99,;7.96,6.21,;9.01,5.1,;10.39,5.78,;10.17,7.31,;8.66,7.57,;3.38,5.55,;1.86,5.34,;1.29,3.91,;.07,3.74,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.25,;4.58,-6.69,;4.94,-8.18,;6.42,-8.61,;7.53,-7.55,;8.72,-7.89,;7.17,-6.05,;5.69,-5.62,;1.42,-3.96,)|
Show InChI InChI=1/C26H32FN5O3S/c27-23-4-3-19(35-15-20-2-1-7-34-20)12-21(23)22-14-32(26-24(22)25(28)29-16-30-26)18-10-17(11-18)13-31-5-8-36(33)9-6-31/h3-4,12,14,16-18,20H,1-2,5-11,13,15H2,(H2,28,29,30)/t17-,18+,20-/s2
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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) 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
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50158507
PNG
(CHEMBL3787436)
Show SMILES Nc1ncnc2n(cc(-c3cc(OC[C@@H]4CCCO4)ccc3F)c12)[C@@H]1C[C@H](CN2CC[S+]([O-])CC2)C1 |r,wU:14.13,wD:24.27,26.30,(-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,;3.76,2.91,;4.33,4.34,;5.86,4.56,;6.43,5.99,;7.96,6.21,;9.01,5.1,;10.39,5.78,;10.17,7.31,;8.66,7.57,;3.38,5.55,;1.86,5.34,;1.29,3.91,;.07,3.74,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.25,;4.58,-6.69,;4.94,-8.18,;6.42,-8.61,;7.53,-7.55,;8.72,-7.89,;7.17,-6.05,;5.69,-5.62,;1.42,-3.96,)|
Show InChI InChI=1/C26H32FN5O3S/c27-23-4-3-19(35-15-20-2-1-7-34-20)12-21(23)22-14-32(26-24(22)25(28)29-16-30-26)18-10-17(11-18)13-31-5-8-36(33)9-6-31/h3-4,12,14,16-18,20H,1-2,5-11,13,15H2,(H2,28,29,30)/t17-,18+,20-/s2
PDB
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n/an/a 16n/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))
BDBM50158507
PNG
(CHEMBL3787436)
Show SMILES Nc1ncnc2n(cc(-c3cc(OC[C@@H]4CCCO4)ccc3F)c12)[C@@H]1C[C@H](CN2CC[S+]([O-])CC2)C1 |r,wU:14.13,wD:24.27,26.30,(-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,;3.76,2.91,;4.33,4.34,;5.86,4.56,;6.43,5.99,;7.96,6.21,;9.01,5.1,;10.39,5.78,;10.17,7.31,;8.66,7.57,;3.38,5.55,;1.86,5.34,;1.29,3.91,;.07,3.74,;.3,.77,;2.24,-2.7,;3.54,-3.45,;2.74,-4.76,;3.1,-6.25,;4.58,-6.69,;4.94,-8.18,;6.42,-8.61,;7.53,-7.55,;8.72,-7.89,;7.17,-6.05,;5.69,-5.62,;1.42,-3.96,)|
Show InChI InChI=1/C26H32FN5O3S/c27-23-4-3-19(35-15-20-2-1-7-34-20)12-21(23)22-14-32(26-24(22)25(28)29-16-30-26)18-10-17(11-18)13-31-5-8-36(33)9-6-31/h3-4,12,14,16-18,20H,1-2,5-11,13,15H2,(H2,28,29,30)/t17-,18+,20-/s2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 27n/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