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BDBM50437362 CHEMBL3037920

SMILES: COc1cc(nc2c(F)c(ccc12)-c1nc([C@@H]2C[C@@H](C2)N2CCN(C)CC2)n2ccnc(N)c12)-c1ccccc1

InChI Key: InChIKey=SHBJIOFPZWKLSE-OYRHEFFESA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50437362   
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 I receptor


(Homo sapiens (Human))		BDBM50437362
PNG
(CHEMBL3037920)
Show SMILES COc1cc(nc2c(F)c(ccc12)-c1nc([C@@H]2C[C@@H](C2)N2CCN(C)CC2)n2ccnc(N)c12)-c1ccccc1 |r,wU:16.17,18.22,(3.57,-35.88,;3.58,-37.43,;4.91,-38.2,;6.24,-37.43,;7.58,-38.19,;7.58,-39.74,;6.24,-40.51,;6.25,-42.05,;7.59,-42.81,;4.92,-42.82,;3.58,-42.06,;3.58,-40.51,;4.91,-39.74,;4.93,-44.37,;6.18,-45.27,;5.71,-46.73,;6.63,-47.98,;6.39,-49.5,;7.91,-49.73,;8.15,-48.21,;8.82,-50.97,;8.2,-52.38,;9.1,-53.62,;10.64,-53.46,;11.54,-54.7,;11.26,-52.05,;10.35,-50.79,;4.17,-46.74,;3.15,-47.89,;1.65,-47.56,;1.17,-46.1,;2.2,-44.96,;1.73,-43.5,;3.7,-45.28,;8.9,-37.42,;10.24,-38.19,;11.57,-37.41,;11.57,-35.87,;10.22,-35.1,;8.9,-35.88,)|
Show InChI InChI=1S/C31H32FN7O/c1-37-12-14-38(15-13-37)21-16-20(17-21)31-36-28(29-30(33)34-10-11-39(29)31)23-9-8-22-25(40-2)18-24(35-27(22)26(23)32)19-6-4-3-5-7-19/h3-11,18,20-21H,12-17H2,1-2H3,(H2,33,34)/t20-,21+
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MMDB

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n/an/a 9n/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