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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 478.8
BDBM338132

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM338132
PNG
(US9751854, Compound I-308 | US9802960, Compound I-...)
Show SMILES Cc1c(NS(=O)(=O)c2ccc(F)cc2F)c(Cl)ncc1-c1ccnc(NC(=O)C2CC2)c1
Show InChI InChI=1S/C21H17ClF2N4O3S/c1-11-15(13-6-7-25-18(8-13)27-21(29)12-2-3-12)10-26-20(22)19(11)28-32(30,31)17-5-4-14(23)9-16(17)24/h4-10,12,28H,2-3H2,1H3,(H,25,27,29)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
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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))
BDBM338132
PNG
(US9751854, Compound I-308 | US9802960, Compound I-...)
Show SMILES Cc1c(NS(=O)(=O)c2ccc(F)cc2F)c(Cl)ncc1-c1ccnc(NC(=O)C2CC2)c1
Show InChI InChI=1S/C21H17ClF2N4O3S/c1-11-15(13-6-7-25-18(8-13)27-21(29)12-2-3-12)10-26-20(22)19(11)28-32(30,31)17-5-4-14(23)9-16(17)24/h4-10,12,28H,2-3H2,1H3,(H,25,27,29)
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