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BDBM338137 US9751854, Compound I-313::US9802960, Compound I-313

SMILES: Cc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccnc(NC(=O)N2CCCC2)c1

InChI Key: InChIKey=BHOFRTRGJARVDS-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 = 338137   
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))
BDBM338137
PNG
(US9751854, Compound I-313 | US9802960, Compound I-...)
Show SMILES Cc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccnc(NC(=O)N2CCCC2)c1
Show InChI InChI=1S/C22H21F2N5O3S/c1-14-19(28-33(31,32)20-5-4-17(23)12-18(20)24)10-16(13-26-14)15-6-7-25-21(11-15)27-22(30)29-8-2-3-9-29/h4-7,10-13,28H,2-3,8-9H2,1H3,(H,25,27,30)
PDB
MMDB

Reactome pathway
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UniProtKB/SwissProt

B.MOAD
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 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))
BDBM338137
PNG
(US9751854, Compound I-313 | US9802960, Compound I-...)
Show SMILES Cc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccnc(NC(=O)N2CCCC2)c1
Show InChI InChI=1S/C22H21F2N5O3S/c1-14-19(28-33(31,32)20-5-4-17(23)12-18(20)24)10-16(13-26-14)15-6-7-25-21(11-15)27-22(30)29-8-2-3-9-29/h4-7,10-13,28H,2-3,8-9H2,1H3,(H,25,27,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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