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BDBM346222 US10202373, Compound I-36::US10202373, Example 3G

SMILES: CC(=O)Nc1cc(ccn1)-c1cnc(C)c2n(CC3CC3)ccc12

InChI Key: InChIKey=JVAFYZVSBGGFTP-UHFFFAOYSA-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 = 346222   
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))
BDBM346222
PNG
(US10202373, Compound I-36 | US10202373, Example 3G)
Show SMILES CC(=O)Nc1cc(ccn1)-c1cnc(C)c2n(CC3CC3)ccc12
Show InChI InChI=1S/C19H20N4O/c1-12-19-16(6-8-23(19)11-14-3-4-14)17(10-21-12)15-5-7-20-18(9-15)22-13(2)24/h5-10,14H,3-4,11H2,1-2H3,(H,20,22,24)
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PC cid
PC sid
UniChem
US Patent
n/an/a>100n/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 US10202373 (2019)

More data for this
Ligand-Target Pair