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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'GTPase KRas [1-169,G12D]/Son of sevenless homolog 1 [564-1049]' and Ligand = 'BDBM472531'   
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
GTPase KRas [1-169,G12D]/Son of sevenless homolog 1 [564-1049]


()		BDBM472531
PNG
(US10829487, Example I-11)
Show SMILES C[C@@H](Nc1nc(C)nc2cc(=O)n(cc12)C1(C)CCC1)c1cccc(C(F)F)c1F |r|
Show InChI InChI=1S/C22H23F3N4O/c1-12(14-6-4-7-15(19(14)23)20(24)25)26-21-16-11-29(22(3)8-5-9-22)18(30)10-17(16)27-13(2)28-21/h4,6-7,10-12,20H,5,8-9H2,1-3H3,(H,26,27,28)/t12-/m1/s1
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US Patent
n/an/a 5n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Compounds are diluted to a final start concentration of 100 μM and are tested in duplicate. Assay-ready plates (ARPs) are generated using an Acc...

US Patent US10829487 (2020)


BindingDB Entry DOI: 10.7270/Q2D50R22
More data for this
Ligand-Target Pair