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BDBM50437366 CHEMBL3037916

SMILES: COc1cc(nc2cc(ccc12)-c1nc([C@@H]2C[C@@H](C2)N2CCN(C)CC2)n2ccnc(N)c12)-c1ccccc1

InChI Key: InChIKey=RVZAMMSSLNGUOI-ZRZAMGCNSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50437366   
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))		BDBM50437366
PNG
(CHEMBL3037916)
Show SMILES COc1cc(nc2cc(ccc12)-c1nc([C@@H]2C[C@@H](C2)N2CCN(C)CC2)n2ccnc(N)c12)-c1ccccc1 |r,wU:15.16,17.21,(22.07,-17.53,;22.08,-19.07,;23.41,-19.84,;24.74,-19.07,;26.08,-19.83,;26.08,-21.38,;24.74,-22.16,;24.75,-23.69,;23.42,-24.47,;22.08,-23.7,;22.08,-22.16,;23.41,-21.39,;23.43,-26.01,;24.68,-26.91,;24.22,-28.38,;25.13,-29.62,;24.89,-31.14,;26.41,-31.37,;26.65,-29.85,;27.32,-32.61,;26.7,-34.02,;27.6,-35.26,;29.14,-35.1,;30.04,-36.35,;29.76,-33.69,;28.85,-32.44,;22.67,-28.39,;21.65,-29.53,;20.15,-29.21,;19.67,-27.74,;20.7,-26.61,;20.23,-25.14,;22.2,-26.92,;27.4,-19.06,;28.74,-19.83,;30.07,-19.05,;30.07,-17.51,;28.72,-16.74,;27.4,-17.52,)|
Show InChI InChI=1S/C31H33N7O/c1-36-12-14-37(15-13-36)23-16-22(17-23)31-35-28(29-30(32)33-10-11-38(29)31)21-8-9-24-26(18-21)34-25(19-27(24)39-2)20-6-4-3-5-7-20/h3-11,18-19,22-23H,12-17H2,1-2H3,(H2,32,33)/t22-,23+
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n/an/a 16n/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