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BDBM338062 US9751854, Compound I-237::US9802960, Compound I-237

SMILES: Cc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccnc(Nc2ccnc(n2)C(F)(F)F)c1

InChI Key: InChIKey=QVMDEZIEIXSHMI-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 338062   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM338062
PNG
(US9751854, Compound I-237 | US9802960, Compound I-...)
Show SMILES Cc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccnc(Nc2ccnc(n2)C(F)(F)F)c1
Show InChI InChI=1S/C22H15F5N6O2S/c1-12-17(33-36(34,35)18-3-2-15(23)10-16(18)24)8-14(11-30-12)13-4-6-28-20(9-13)31-19-5-7-29-21(32-19)22(25,26)27/h2-11,33H,1H3,(H,28,29,31,32)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 30n/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
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM338062
PNG
(US9751854, Compound I-237 | US9802960, Compound I-...)
Show SMILES Cc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccnc(Nc2ccnc(n2)C(F)(F)F)c1
Show InChI InChI=1S/C22H15F5N6O2S/c1-12-17(33-36(34,35)18-3-2-15(23)10-16(18)24)8-14(11-30-12)13-4-6-28-20(9-13)31-19-5-7-29-21(32-19)22(25,26)27/h2-11,33H,1H3,(H,28,29,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 30n/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 US9751854 (2017)


BindingDB Entry DOI: 10.7270/Q2KS6TNJ
More data for this
Ligand-Target Pair