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SMILES: Cc1ncc(c(C)c1NS(=O)(=O)c1ccc(F)cc1F)-c1ccnc(Nc2ccc(C#N)c(C)n2)c1

InChI Key: InChIKey=HKYDPVVTYYURLP-UHFFFAOYSA-N

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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 = 352660   
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
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))		BDBM352660
PNG
(US9802960, Compound I-238)
Show SMILES Cc1ncc(c(C)c1NS(=O)(=O)c1ccc(F)cc1F)-c1ccnc(Nc2ccc(C#N)c(C)n2)c1
Show InChI InChI=1S/C25H20F2N6O2S/c1-14-20(17-8-9-29-24(10-17)32-23-7-4-18(12-28)15(2)31-23)13-30-16(3)25(14)33-36(34,35)22-6-5-19(26)11-21(22)27/h4-11,13,33H,1-3H3,(H,29,31,32)
PDB
MMDB

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PC cid
PC sid
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US Patent
n/an/a<10n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
100 nL compounds in DMSO are added to wells of a 384 well microtitre plate (Greiner 780076). At room temperature: 5 ul VPS34 reaction buffer (Invitro...

US Patent US9802960 (2017)


BindingDB Entry DOI: 10.7270/Q2D79DJ9
More data for this
Ligand-Target Pair