BindingDB logo
myBDB logout

null

SMILES: COc1c(cc(Cl)c(F)c1C1CN(C1)C(C)C)[C@@H](C)n1nc(C)c2c(N)ncnc12

InChI Key: InChIKey=WFJBTQYBCMJYNG-GFCCVEGCSA-N

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 = 255858   
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 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM255858
PNG
(US11433071, Example 67-1 | US9707233, 67 (1st peak...)
Show SMILES COc1c(cc(Cl)c(F)c1C1CN(C1)C(C)C)[C@@H](C)n1nc(C)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C21H26ClFN6O/c1-10(2)28-7-13(8-28)17-18(23)15(22)6-14(19(17)30-5)12(4)29-21-16(11(3)27-29)20(24)25-9-26-21/h6,9-10,12-13H,7-8H2,1-5H3,(H2,24,25,26)/t12-/m1/s1
PDB
MMDB

NCI pathway
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


TBA

Assay Description
The kinase reaction was conducted in polystyrene 384-well matrix white plate from Thermo Fisher Scientific in a final volume of 25 μL. Inhibitor...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2417199
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta/delta isoform


(Homo sapiens (Human))
BDBM255858
PNG
(US11433071, Example 67-1 | US9707233, 67 (1st peak...)
Show SMILES COc1c(cc(Cl)c(F)c1C1CN(C1)C(C)C)[C@@H](C)n1nc(C)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C21H26ClFN6O/c1-10(2)28-7-13(8-28)17-18(23)15(22)6-14(19(17)30-5)12(4)29-21-16(11(3)27-29)20(24)25-9-26-21/h6,9-10,12-13H,7-8H2,1-5H3,(H2,24,25,26)/t12-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<10n/an/an/an/a6.725



Incyte Holdings Corporation; Incyte Corporation

US Patent


Assay Description
Lipid kinase substrate, phosphoinositol-4,5-bisphosphate (PIP2), are purchased from Echelon Biosciences (Salt Lake City, Utah). PI3K isoforms α,...


US Patent US9707233 (2017)


BindingDB Entry DOI: 10.7270/Q2S46V0R
More data for this
Ligand-Target Pair