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BDBM337965 US9751854, Compound I-141::US9802960, Compound I-141

SMILES: CNc1ncc(cc1N(CC1CC1)S(C)(=O)=O)-c1ccnc(NC(C)=O)c1

InChI Key: InChIKey=KVVZXIDBHRFYJX-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 = 337965   
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))
BDBM337965
PNG
(US9751854, Compound I-141 | US9802960, Compound I-...)
Show SMILES CNc1ncc(cc1N(CC1CC1)S(C)(=O)=O)-c1ccnc(NC(C)=O)c1
Show InChI InChI=1S/C18H23N5O3S/c1-12(24)22-17-9-14(6-7-20-17)15-8-16(18(19-2)21-10-15)23(27(3,25)26)11-13-4-5-13/h6-10,13H,4-5,11H2,1-3H3,(H,19,21)(H,20,22,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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
Phosphatidylinositol 3-kinase catalytic subunit type 3


(Homo sapiens (Human))
BDBM337965
PNG
(US9751854, Compound I-141 | US9802960, Compound I-...)
Show SMILES CNc1ncc(cc1N(CC1CC1)S(C)(=O)=O)-c1ccnc(NC(C)=O)c1
Show InChI InChI=1S/C18H23N5O3S/c1-12(24)22-17-9-14(6-7-20-17)15-8-16(18(19-2)21-10-15)23(27(3,25)26)11-13-4-5-13/h6-10,13H,4-5,11H2,1-3H3,(H,19,21)(H,20,22,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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 US9751854 (2017)


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