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BDBM50336329 CHEMBL1667947::trans-4-(8-amino-1-(8-fluoro-2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl)-N-(2-aminophenyl)cyclohexanecarboxamide

SMILES: Nc1ccccc1NC(=O)[C@H]1CC[C@@H](CC1)c1nc(-c2ccc3ccc(nc3c2F)-c2ccccc2)c2c(N)nccn12

InChI Key: InChIKey=VJOGOHMRMQIJRB-YHBQERECSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50336329   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50336329
PNG
(CHEMBL1667947 | trans-4-(8-amino-1-(8-fluoro-2-phe...)
Show SMILES Nc1ccccc1NC(=O)[C@H]1CC[C@@H](CC1)c1nc(-c2ccc3ccc(nc3c2F)-c2ccccc2)c2c(N)nccn12 |r,wU:13.17,wD:10.10,(28.81,-26.74,;28.05,-25.39,;28.84,-24.07,;28.08,-22.73,;26.54,-22.71,;25.76,-24.04,;26.52,-25.37,;25.73,-26.69,;24.19,-26.68,;23.41,-28,;23.71,-25.21,;24.74,-24.06,;24.26,-22.6,;22.75,-22.3,;21.73,-23.44,;22.21,-24.89,;22.27,-20.83,;23.17,-19.58,;22.26,-18.34,;23.03,-17.01,;22.26,-15.69,;23.02,-14.35,;24.57,-14.35,;25.33,-13.03,;26.86,-13.02,;27.63,-14.35,;26.87,-15.68,;25.33,-15.68,;24.57,-17.02,;25.34,-18.35,;29.17,-14.35,;29.94,-15.69,;31.48,-15.69,;32.25,-14.36,;31.47,-13.02,;29.93,-13.02,;20.79,-18.82,;19.46,-18.06,;19.45,-16.52,;18.13,-18.83,;18.13,-20.37,;19.46,-21.15,;20.8,-20.37,)|
Show InChI InChI=1S/C34H30FN7O/c35-28-24(16-14-21-15-17-26(39-29(21)28)20-6-2-1-3-7-20)30-31-32(37)38-18-19-42(31)33(41-30)22-10-12-23(13-11-22)34(43)40-27-9-5-4-8-25(27)36/h1-9,14-19,22-23H,10-13,36H2,(H2,37,38)(H,40,43)/t22-,23-
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Article
PubMed
n/an/a 4n/an/an/an/an/an/a



OSI Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human IGF1R expressed in mouse 3T3 cells by ELISA based assay


Bioorg Med Chem Lett 21: 1176-80 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.094
BindingDB Entry DOI: 10.7270/Q2J103DJ
More data for this
Ligand-Target Pair