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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with all data for assayid = 4 entry = 50043206   
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))
BDBM50437358
PNG
(CHEMBL3037908)
Show SMILES COc1cc(nc2cc(ccc12)-c1nc([C@H]2C[C@@](C)(O)C2)n2ccnc(N)c12)-c1ccccc1 |r,wU:17.20,15.16,wD:17.19,(2.3,-.85,;2.3,-2.39,;3.63,-3.16,;4.96,-2.39,;6.3,-3.15,;6.31,-4.71,;4.97,-5.48,;4.97,-7.01,;3.65,-7.79,;2.3,-7.02,;2.3,-5.48,;3.63,-4.71,;3.66,-9.33,;4.91,-10.23,;4.44,-11.7,;5.35,-12.94,;6.87,-13.17,;6.63,-14.69,;8.12,-15.09,;7.03,-16.18,;5.12,-14.46,;2.9,-11.71,;1.88,-12.85,;.37,-12.53,;-.11,-11.07,;.93,-9.93,;.45,-8.46,;2.42,-10.25,;7.63,-2.38,;8.97,-3.15,;10.3,-2.38,;10.29,-.83,;8.94,-.07,;7.62,-.85,)|
Show InChI InChI=1S/C27H25N5O2/c1-27(33)14-18(15-27)26-31-23(24-25(28)29-10-11-32(24)26)17-8-9-19-21(12-17)30-20(13-22(19)34-2)16-6-4-3-5-7-16/h3-13,18,33H,14-15H2,1-2H3,(H2,28,29)/t18-,27+
PDB
MMDB

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PC cid
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n/an/a 7.10n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged IGF-1R catalytic domain (unknown origin) using omnia Y peptide-12 as substrate assessed as inhibition of substrate phosphory...


ACS Med Chem Lett 4: 627-31 (2013)


Article DOI: 10.1021/ml400160a
BindingDB Entry DOI: 10.7270/Q2S75HR4
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50315887
PNG
((1s,3s)-3-(8-amino-1-(2-phenylquinolin-7-yl)imidaz...)
Show SMILES C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc3ccc(nc3c2)-c2ccccc2)c2c(N)nccn12 |r,wU:1.1,4.6,wD:1.0,(18.42,-37.26,;17.1,-36.49,;16.31,-37.82,;17.79,-35.11,;16.41,-34.42,;15.72,-35.8,;15.93,-32.97,;16.83,-31.71,;15.91,-30.47,;16.38,-29.01,;15.35,-27.88,;15.81,-26.41,;17.32,-26.08,;17.78,-24.62,;19.27,-24.29,;20.31,-25.42,;19.85,-26.89,;18.35,-27.21,;17.89,-28.68,;21.81,-25.09,;22.85,-26.23,;24.35,-25.9,;24.82,-24.43,;23.77,-23.29,;22.27,-23.63,;14.45,-30.96,;13.11,-30.19,;13.11,-28.65,;11.78,-30.96,;11.78,-32.51,;13.12,-33.28,;14.46,-32.5,)|
Show InChI InChI=1S/C26H23N5O/c1-26(32)14-19(15-26)25-30-22(23-24(27)28-11-12-31(23)25)18-8-7-17-9-10-20(29-21(17)13-18)16-5-3-2-4-6-16/h2-13,19,32H,14-15H2,1H3,(H2,27,28)/t19-,26+
PDB
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PC cid
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Article
PubMed
n/an/a 12n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged IGF-1R catalytic domain (unknown origin) using omnia Y peptide-12 as substrate assessed as inhibition of substrate phosphory...


ACS Med Chem Lett 4: 627-31 (2013)


Article DOI: 10.1021/ml400160a
BindingDB Entry DOI: 10.7270/Q2S75HR4
More data for this
Ligand-Target Pair