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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Insulin-like growth factor I receptor' and Ligand = 'BDBM50437370'   
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))
BDBM50437370
PNG
(CHEMBL3037912)
Show SMILES COc1cc(nc2c(F)c(ccc12)-c1nc([C@H]2C[C@@](C)(O)C2)n2ccnc(N)c12)-c1ccccc1 |r,wU:18.21,16.17,wD:18.20,(47.77,-1.38,;47.77,-2.92,;49.1,-3.69,;50.43,-2.92,;51.77,-3.68,;51.78,-5.24,;50.44,-6.01,;50.44,-7.54,;51.78,-8.31,;49.12,-8.32,;47.77,-7.55,;47.77,-6.01,;49.1,-5.24,;49.13,-9.86,;50.38,-10.76,;49.91,-12.23,;50.82,-13.47,;52.34,-13.7,;52.1,-15.22,;53.59,-15.62,;52.5,-16.71,;50.59,-14.99,;48.37,-12.24,;47.35,-13.38,;45.84,-13.06,;45.37,-11.6,;46.4,-10.46,;45.92,-8.99,;47.89,-10.77,;53.1,-2.91,;54.44,-3.68,;55.77,-2.9,;55.76,-1.36,;54.41,-.6,;53.09,-1.37,)|
Show InChI InChI=1S/C27H24FN5O2/c1-27(34)13-16(14-27)26-32-23(24-25(29)30-10-11-33(24)26)18-9-8-17-20(35-2)12-19(31-22(17)21(18)28)15-6-4-3-5-7-15/h3-12,16,34H,13-14H2,1-2H3,(H2,29,30)/t16-,27+
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4n/an/an/an/an/an/a



OSI Pharmaceuticals, LLC

Curated by ChEMBL


Assay Description
Inhibition of full length human IGF-1R overexpressed in mouse NIH 3T3 cells assessed as IGF1-induced protein phosphorylation incubated for 2 hrs prio...


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