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Patent code US8691829

Compile Data Set for Download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
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 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM119781
PNG
(US8691829, 4b)
Show SMILES CC(Nc1ncnc2nc[nH]c12)c1nc2cccc(C)c2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C22H19N7O/c1-13-7-6-10-16-17(13)22(30)29(15-8-4-3-5-9-15)21(28-16)14(2)27-20-18-19(24-11-23-18)25-12-26-20/h3-12,14H,1-2H3,(H2,23,24,25,26,27)
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US Patent
 5n/an/an/an/an/an/an/an/a



Gilead Calistoga LLC

US Patent


Assay Description
The relative efficacies of compounds as inhibitors of an enzyme activity (or other biological activity) can be established by determining the concent...

US Patent US8691829 (2014)


BindingDB Entry DOI: 10.7270/Q2VM49XX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM119780
PNG
(US8691829, 3e)
Show SMILES CC(Nc1ncnc2nc[nH]c12)c1nc2ccsc2c(=O)n1-c1ccccc1
Show InChI InChI=1S/C19H15N7OS/c1-11(24-17-14-16(21-9-20-14)22-10-23-17)18-25-13-7-8-28-15(13)19(27)26(18)12-5-3-2-4-6-12/h2-11H,1H3,(H2,20,21,22,23,24)
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 6n/an/an/an/an/an/an/an/a



Gilead Calistoga LLC

US Patent


Assay Description
The relative efficacies of compounds as inhibitors of an enzyme activity (or other biological activity) can be established by determining the concent...

US Patent US8691829 (2014)


BindingDB Entry DOI: 10.7270/Q2VM49XX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM50403092
PNG
(CHEMBL2216871 | US8691829, 4a)
Show SMILES CC(c1nc2cccc(C)c2c(=O)n1-c1ccccc1)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C22H19N7O/c1-13-7-6-10-16-17(13)22(30)29(15-8-4-3-5-9-15)20(27-16)14(2)28-12-26-18-19(23)24-11-25-21(18)28/h3-12,14H,1-2H3,(H2,23,24,25)
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US Patent
 7n/an/an/an/an/an/an/an/a



Gilead Calistoga LLC

US Patent


Assay Description
The relative efficacies of compounds as inhibitors of an enzyme activity (or other biological activity) can be established by determining the concent...

US Patent US8691829 (2014)


BindingDB Entry DOI: 10.7270/Q2VM49XX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM119779
PNG
(US8691829, 3d)
Show SMILES CC(c1nc2ccsc2c(=O)n1-c1ccccc1)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C19H15N7OS/c1-11(25-10-23-14-16(20)21-9-22-18(14)25)17-24-13-7-8-28-15(13)19(27)26(17)12-5-3-2-4-6-12/h2-11H,1H3,(H2,20,21,22)
PDB
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US Patent
 40n/an/an/an/an/an/an/an/a



Gilead Calistoga LLC

US Patent


Assay Description
The relative efficacies of compounds as inhibitors of an enzyme activity (or other biological activity) can be established by determining the concent...

US Patent US8691829 (2014)


BindingDB Entry DOI: 10.7270/Q2VM49XX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%