BindingDB logo
myBDB logout

Patent code US9730940

Compile Data Set for Download or QSAR

Found 387 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))
BDBM333995
PNG
((S)-1-(3-((8-(2-(tert- butyl)thiazol-5-yl)-9-methy...)
Show SMILES CCC(=O)N1CCC(C1)Oc1ncnc2n(C)c(nc12)-c1cnc(s1)C(C)(C)C
Show InChI InChI=1S/C20H26N6O2S/c1-6-14(27)26-8-7-12(10-26)28-18-15-17(22-11-23-18)25(5)16(24-15)13-9-21-19(29-13)20(2,3)4/h9,11-12H,6-8,10H2,1-5H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.60n/an/an/an/an/an/a



Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM333996
PNG
((S)-1-(3-((9-cyclopropyl-8-(1- ethyl-5-methyl-1H-p...)
Show SMILES CCC(=O)N1CCC(C1)Oc1ncnc2n(C3CC3)c(nc12)-c1cnn(CC)c1C
Show InChI InChI=1S/C21H27N7O2/c1-4-17(29)26-9-8-15(11-26)30-21-18-20(22-12-23-21)28(14-6-7-14)19(25-18)16-10-24-27(5-2)13(16)3/h10,12,14-15H,4-9,11H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 160n/an/an/an/an/an/a



Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334000
PNG
((1R,2R)-2-{[(3S)-3-{[9-ethyl-8- (2-methylpyrimidin...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)[C@@H]3CCC[C@H]3N)ncnc12)-c1cnc(C)nc1
Show InChI InChI=1S/C22H28N8O2/c1-3-30-19(14-9-24-13(2)25-10-14)28-18-20(30)26-12-27-21(18)32-15-7-8-29(11-15)22(31)16-5-4-6-17(16)23/h9-10,12,15-17H,3-8,11,23H2,1-2H3/t15-,16+,17+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 39n/an/an/an/an/an/a



Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334004
PNG
(6-{[(3S)-1- (cyclobutylcarbonyl)pyrrolidin- 3-yl]o...)
Show SMILES CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)C3CCC3)ncnc2n1C
Show InChI InChI=1S/C21H27N7O2/c1-4-28-13(2)16(10-24-28)18-25-17-19(26(18)3)22-12-23-20(17)30-15-8-9-27(11-15)21(29)14-6-5-7-14/h10,12,14-15H,4-9,11H2,1-3H3/t15-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 7n/an/an/an/an/an/a



Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334016
PNG
(9-ethyl-6-({(3S)-1-[([(1R,2S) or (1R,2R) or (1S,2R...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CCC3C)ncnc12)-c1cnc(C)nc1
Show InChI InChI=1S/C22H27N7O2/c1-4-29-19(15-9-23-14(3)24-10-15)27-18-20(29)25-12-26-21(18)31-16-7-8-28(11-16)22(30)17-6-5-13(17)2/h9-10,12-13,16-17H,4-8,11H2,1-3H3/t13?,16-,17?/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.20n/an/an/an/an/an/a



Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334026
PNG
(6-({(3S)-1-[S- or R-(2,2- dimethylcyclopropyl)carb...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3(C)C)ncnc12)-c1cnc(C)nc1
Show InChI InChI=1S/C22H27N7O2/c1-5-29-18(14-9-23-13(2)24-10-14)27-17-19(29)25-12-26-20(17)31-15-6-7-28(11-15)21(30)16-8-22(16,3)4/h9-10,12,15-16H,5-8,11H2,1-4H3/t15-,16?/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1n/an/an/an/an/an/a



Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334039
PNG
(US9730940, Compound 2-139 | US9730940, Compound 2-...)
Show SMILES CCn1c(nc2c(OC3CC4CCC3N4C(=O)C3CC3)ncnc12)-c1cnc(C)nc1
Show InChI InChI=1S/C22H25N7O2/c1-3-28-19(14-9-23-12(2)24-10-14)27-18-20(28)25-11-26-21(18)31-17-8-15-6-7-16(17)29(15)22(30)13-4-5-13/h9-11,13,15-17H,3-8H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 390n/an/an/an/an/an/a



Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334049
PNG
((S)-1-(3-((8-(1H-indazol-6-yl)- 9-methyl-9H-purin-...)
Show SMILES CCC(=O)N1CC[C@@H](C1)Oc1ncnc2n(C)c(nc12)-c1ccc2cn[nH]c2c1
Show InChI InChI=1S/C20H21N7O2/c1-3-16(28)27-7-6-14(10-27)29-20-17-19(21-11-22-20)26(2)18(24-17)12-4-5-13-9-23-25-15(13)8-12/h4-5,8-9,11,14H,3,6-7,10H2,1-2H3,(H,23,25)/t14-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 7.20n/an/an/an/an/an/a



Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334057
PNG
((S)-1-(3-((9-methyl-8-(6- methylpyridin-3-yl)-9H-p...)
Show SMILES CCC(=O)N1CC[C@@H](C1)Oc1ncnc2n(C)c(nc12)-c1ccc(C)nc1
Show InChI InChI=1S/C19H22N6O2/c1-4-15(26)25-8-7-14(10-25)27-19-16-18(21-11-22-19)24(3)17(23-16)13-6-5-12(2)20-9-13/h5-6,9,11,14H,4,7-8,10H2,1-3H3/t14-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 66n/an/an/an/an/an/a



Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334063
PNG
(N-[3-fluoro-5-(9-methyl-6- {[(3S)-1-propanoylpyrro...)
Show SMILES CCC(=O)N1CC[C@@H](C1)Oc1ncnc2n(C)c(nc12)-c1cc(F)cc(NS(C)(=O)=O)c1
Show InChI InChI=1S/C20H23FN6O4S/c1-4-16(28)27-6-5-15(10-27)31-20-17-19(22-11-23-20)26(2)18(24-17)12-7-13(21)9-14(8-12)25-32(3,29)30/h7-9,11,15,25H,4-6,10H2,1-3H3/t15-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 10n/an/an/an/an/an/a



Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334087
PNG
(6-{[(3S)-1- (cyclopropylcarbonyl)pyrrolidin- 3-yl]...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1cnc(C)c(F)c1
Show InChI InChI=1S/C21H23FN6O2/c1-3-28-18(14-8-16(22)12(2)23-9-14)26-17-19(28)24-11-25-20(17)30-15-6-7-27(10-15)21(29)13-4-5-13/h8-9,11,13,15H,3-7,10H2,1-2H3/t15-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.30n/an/an/an/an/an/a



Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334092
PNG
(8-(5-fluoro-6-methoxypyridin-3- yl)-9-methyl-6-{[(...)
Show SMILES CCC(=O)N1CC[C@@H](C1)Oc1ncnc2n(C)c(nc12)-c1cnc(OC)c(F)c1
Show InChI InChI=1S/C19H21FN6O3/c1-4-14(27)26-6-5-12(9-26)29-19-15-17(22-10-23-19)25(2)16(24-15)11-7-13(20)18(28-3)21-8-11/h7-8,10,12H,4-6,9H2,1-3H3/t12-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 9.30n/an/an/an/an/an/a



Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334101
PNG
(6-{[(3S)-1- (cyclopropylcarbonyl)pyrrolidin- 3-yl]...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1cnc(nc1)C(F)(F)F
Show InChI InChI=1S/C20H20F3N7O2/c1-2-30-15(12-7-24-19(25-8-12)20(21,22)23)28-14-16(30)26-10-27-17(14)32-13-5-6-29(9-13)18(31)11-3-4-11/h7-8,10-11,13H,2-6,9H2,1H3/t13-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 18n/an/an/an/an/an/a



Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334112
PNG
(6-{[(3S)-1- (cyclopropylcarbonyl)pyrrolidin- 3-yl]...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1cnc(OC)c(F)c1
Show InChI InChI=1S/C21H23FN6O3/c1-3-28-17(13-8-15(22)19(30-2)23-9-13)26-16-18(28)24-11-25-20(16)31-14-6-7-27(10-14)21(29)12-4-5-12/h8-9,11-12,14H,3-7,10H2,1-2H3/t14-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334113
PNG
(9-ethyl-8-(5-fluoro-6- methoxypyridin-3-yl)-6-{[(3...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C(C)C)ncnc12)-c1cnc(OC)c(F)c1
Show InChI InChI=1S/C21H25FN6O3/c1-5-28-17(13-8-15(22)19(30-4)23-9-13)26-16-18(28)24-11-25-20(16)31-14-6-7-27(10-14)21(29)12(2)3/h8-9,11-12,14H,5-7,10H2,1-4H3/t14-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334116
PNG
(9-ethyl-8-(5-fluoro-6- methoxypyridin-3-yl)-6-({(3...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)c3ccn(C)n3)ncnc12)-c1cnc(OC)c(F)c1
Show InChI InChI=1S/C22H23FN8O3/c1-4-31-18(13-9-15(23)20(33-3)24-10-13)27-17-19(31)25-12-26-21(17)34-14-5-8-30(11-14)22(32)16-6-7-29(2)28-16/h6-7,9-10,12,14H,4-5,8,11H2,1-3H3/t14-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a<1n/an/an/an/an/an/a



Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334117
PNG
(9-ethyl-8-(5-fluoro-6- methoxypyridin-3-yl)-6-({(3...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)c3cncn3C)ncnc12)-c1cnc(OC)c(F)c1
Show InChI InChI=1S/C22H23FN8O3/c1-4-31-18(13-7-15(23)20(33-3)25-8-13)28-17-19(31)26-11-27-21(17)34-14-5-6-30(10-14)22(32)16-9-24-12-29(16)2/h7-9,11-12,14H,4-6,10H2,1-3H3/t14-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.5n/an/an/an/an/an/a



Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334128
PNG
((R or S )-6-{[5- (cyclopropylcarbonyl)-5- azaspir...)
Show SMILES CCn1c(nc2c(OC3CN(CC33CC3)C(=O)C3CC3)ncnc12)-c1cnc(C)nc1
Show InChI InChI=1S/C22H25N7O2/c1-3-29-18(15-8-23-13(2)24-9-15)27-17-19(29)25-12-26-20(17)31-16-10-28(11-22(16)6-7-22)21(30)14-4-5-14/h8-9,12,14,16H,3-7,10-11H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.30n/an/an/an/an/an/a



Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334144
PNG
((3S)-N-cyclohexyl-3-{[8-(1- ethyl-5-methyl-1H-pyra...)
Show SMILES CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)NC3CCCCC3)ncnc2n1C
Show InChI InChI=1S/C23H32N8O2/c1-4-31-15(2)18(12-26-31)20-28-19-21(29(20)3)24-14-25-22(19)33-17-10-11-30(13-17)23(32)27-16-8-6-5-7-9-16/h12,14,16-17H,4-11,13H2,1-3H3,(H,27,32)/t17-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 230n/an/an/an/an/an/a



Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334151
PNG
(US9730940, Compound 5-6 | ethyl N-{[(3S)-3-{[8-(1-...)
Show SMILES CCOC(=O)C(C)NC(=O)N1CC[C@@H](C1)Oc1ncnc2n(C)c(nc12)-c1cnn(CC)c1C
Show InChI InChI=1S/C22H30N8O4/c1-6-30-14(4)16(10-25-30)18-27-17-19(28(18)5)23-12-24-20(17)34-15-8-9-29(11-15)22(32)26-13(3)21(31)33-7-2/h10,12-13,15H,6-9,11H2,1-5H3,(H,26,32)/t13?,15-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 110n/an/an/an/an/an/a



Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334157
PNG
((3S)-N-cyclopropyl-3-{[9-ethyl- 8-(2-methylpyrimid...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)N(C)C3CC3)ncnc12)-c1cnc(C)nc1
Show InChI InChI=1S/C21H26N8O2/c1-4-29-18(14-9-22-13(2)23-10-14)26-17-19(29)24-12-25-20(17)31-16-7-8-28(11-16)21(30)27(3)15-5-6-15/h9-10,12,15-16H,4-8,11H2,1-3H3/t16-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 28n/an/an/an/an/an/a



Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334160
PNG
(9-ethyl-6-({(3S)-1-[(3- methoxyazetidin-1- yl)carb...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)N3CC(C3)OC)ncnc12)-c1cnc(C)nc1
Show InChI InChI=1S/C21H26N8O3/c1-4-29-18(14-7-22-13(2)23-8-14)26-17-19(29)24-12-25-20(17)32-15-5-6-27(9-15)21(30)28-10-16(11-28)31-3/h7-8,12,15-16H,4-6,9-11H2,1-3H3/t15-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.80n/an/an/an/an/an/a



Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334164
PNG
((3S)-3-{[9-ethyl-8-(2- methylpyrimidin-5-yl)-9H- p...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)N(C)c3ccccc3)ncnc12)-c1cnc(C)nc1
Show InChI InChI=1S/C24H26N8O2/c1-4-32-21(17-12-25-16(2)26-13-17)29-20-22(32)27-15-28-23(20)34-19-10-11-31(14-19)24(33)30(3)18-8-6-5-7-9-18/h5-9,12-13,15,19H,4,10-11,14H2,1-3H3/t19-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 32n/an/an/an/an/an/a



Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334169
PNG
(9-ethyl-6-({(3S)-1-[(3-methoxy- 3-methylazetidin-1...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)N3CC(C)(C3)OC)ncnc12)-c1cnc(C)nc1
Show InChI InChI=1S/C22H28N8O3/c1-5-30-18(15-8-23-14(2)24-9-15)27-17-19(30)25-13-26-20(17)33-16-6-7-28(10-16)21(31)29-11-22(3,12-29)32-4/h8-9,13,16H,5-7,10-12H2,1-4H3/t16-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 34n/an/an/an/an/an/a



Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM333854
PNG
(US9730940, Compound 1-8 | phenyl (3S)-3-{[8-(1-eth...)
Show SMILES CCn1ncc(c1C)-c1nc2c(OC3CCN(C3)C(=O)Oc3ccccc3)ncnc2n1C
Show InChI InChI=1S/C23H25N7O3/c1-4-30-15(2)18(12-26-30)20-27-19-21(28(20)3)24-14-25-22(19)32-17-10-11-29(13-17)23(31)33-16-8-6-5-7-9-16/h5-9,12,14,17H,4,10-11,13H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 90n/an/an/an/an/an/a



Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334180
PNG
(4-{[(3S)-3-{[8-(1-ethyl-5- methyl-1H-pyrazol-4-yl)...)
Show SMILES CCn1ncc(c1C)-c1nc2c(OC3CCN(Cc4ccc(cc4)N(C)C)C3)ncnc2n1C
Show InChI InChI=1S/C25H32N8O/c1-6-33-17(2)21(13-28-33)23-29-22-24(31(23)5)26-16-27-25(22)34-20-11-12-32(15-20)14-18-7-9-19(10-8-18)30(3)4/h7-10,13,16,20H,6,11-12,14-15H2,1-5H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.10E+3n/an/an/an/an/an/a



Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334189
PNG
(8-(1-ethyl-5-methyl-1H-pyrazol- 4-yl)-9-methyl-6-{...)
Show SMILES CCn1ncc(c1C)-c1nc2c(OC3CCN(C3)c3ncnc4ccsc34)ncnc2n1C
Show InChI InChI=1S/C22H23N9OS/c1-4-31-13(2)15(9-27-31)19-28-17-20(29(19)3)24-12-26-22(17)32-14-5-7-30(10-14)21-18-16(6-8-33-18)23-11-25-21/h6,8-9,11-12,14H,4-5,7,10H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 12n/an/an/an/an/an/a



Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM333860
PNG
(US9730940, Compound 1-13 | tert-butyl (3S)-3-{[8-(...)
Show SMILES COc1ncc(cc1C)-c1nc2c(OC3CCN(C3)C(=O)OC(C)(C)C)ncnc2n1C
Show InChI InChI=1S/C22H28N6O4/c1-13-9-14(10-23-19(13)30-6)17-26-16-18(27(17)5)24-12-25-20(16)31-15-7-8-28(11-15)21(29)32-22(2,3)4/h9-10,12,15H,7-8,11H2,1-6H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.60n/an/an/an/an/an/a



Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM333864
PNG
(US9730940, Compound 1-17 | tert-butyl (3S)-3-{[8-(...)
Show SMILES Cc1ncc(-c2nc3c(OC4CCN(C4)C(=O)OC(C)(C)C)ncnc3n2C)n1C
Show InChI InChI=1S/C20H27N7O3/c1-12-21-9-14(25(12)5)16-24-15-17(26(16)6)22-11-23-18(15)29-13-7-8-27(10-13)19(28)30-20(2,3)4/h9,11,13H,7-8,10H2,1-6H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 28n/an/an/an/an/an/a



Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM333868
PNG
(US9730940, Compound 1-21 | tert-butyl (3S)-3-{[9-m...)
Show SMILES Cc1cc2cccc(-c3nc4c(OC5CCN(C5)C(=O)OC(C)(C)C)ncnc4n3C)c2[nH]1
Show InChI InChI=1S/C24H28N6O3/c1-14-11-15-7-6-8-17(18(15)27-14)20-28-19-21(29(20)5)25-13-26-22(19)32-16-9-10-30(12-16)23(31)33-24(2,3)4/h6-8,11,13,16,27H,9-10,12H2,1-5H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 660n/an/an/an/an/an/a



Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM333875
PNG
(US9730940, Compound 1-28 | tert-butyl (3S)-3-[(8-i...)
Show SMILES Cn1c(nc2c(OC3CCN(C3)C(=O)OC(C)(C)C)ncnc12)-c1cncc2ccccc12
Show InChI InChI=1S/C24H26N6O3/c1-24(2,3)33-23(31)30-10-9-16(13-30)32-22-19-21(26-14-27-22)29(4)20(28-19)18-12-25-11-15-7-5-6-8-17(15)18/h5-8,11-12,14,16H,9-10,13H2,1-4H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 320n/an/an/an/an/an/a



Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM333890
PNG
((S)-ethyl 3-{[9-ethyl-8-(2- methylpyrimidin-5-yl)-...)
Show SMILES CCOC(=O)N1CC[C@@H](C1)Oc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1
Show InChI InChI=1S/C19H23N7O3/c1-4-26-16(13-8-20-12(3)21-9-13)24-15-17(26)22-11-23-18(15)29-14-6-7-25(10-14)19(27)28-5-2/h8-9,11,14H,4-7,10H2,1-3H3/t14-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 18n/an/an/an/an/an/a



Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM333891
PNG
(US9730940, Compound 1-44 | [(3S,4S) and (3R,4R)]-t...)
Show SMILES CCn1c(nc2c(OC3CN(CC3F)C(=O)OC(C)(C)C)ncnc12)-c1cnc(C)nc1
Show InChI InChI=1S/C21H26FN7O3/c1-6-29-17(13-7-23-12(2)24-8-13)27-16-18(29)25-11-26-19(16)31-15-10-28(9-14(15)22)20(30)32-21(3,4)5/h7-8,11,14-15H,6,9-10H2,1-5H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.30n/an/an/an/an/an/a



Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334205
PNG
(4-[(3S)-3-{[8-(1-ethyl-5-methyl- 1H-pyrazol-4-yl)-...)
Show SMILES CCn1ncc(c1C)-c1nc2c(OC3CCN(C3)c3ncnc4n(C)ncc34)ncnc2n1C
Show InChI InChI=1S/C22H25N11O/c1-5-33-13(2)15(8-28-33)20-29-17-21(30(20)3)25-12-26-22(17)34-14-6-7-32(10-14)19-16-9-27-31(4)18(16)23-11-24-19/h8-9,11-12,14H,5-7,10H2,1-4H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 120n/an/an/an/an/an/a



Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334216
PNG
(9-ethyl-8-(2-methylpyrimidin-5- yl)-6-{[(3S)-1-pyr...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)c3cccnc3)ncnc12)-c1cnc(C)nc1
Show InChI InChI=1S/C21H22N8O/c1-3-29-19(15-9-23-14(2)24-10-15)27-18-20(29)25-13-26-21(18)30-17-6-8-28(12-17)16-5-4-7-22-11-16/h4-5,7,9-11,13,17H,3,6,8,12H2,1-2H3/t17-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 10n/an/an/an/an/an/a



Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334221
PNG
(US9730940, Compound 9-1 | US9730940, Compound 9-2 ...)
Show SMILES CCn1ncc(c1C)-c1nc2c(OC3CCC(C3)NC(=O)OC(C)(C)C)ncnc2n1C
Show InChI InChI=1S/C22H31N7O3/c1-7-29-13(2)16(11-25-29)18-27-17-19(28(18)6)23-12-24-20(17)31-15-9-8-14(10-15)26-21(30)32-22(3,4)5/h11-12,14-15H,7-10H2,1-6H3,(H,26,30)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 400n/an/an/an/an/an/a



Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334223
PNG
(US9730940, Compound 9-3 | cis-N-[(1S,3R)-3-{[8-(1-...)
Show SMILES CCn1ncc(c1C)-c1nc2c(OC3CCC(C3)NC(=O)C3CCOCC3)ncnc2n1C
Show InChI InChI=1S/C23H31N7O3/c1-4-30-14(2)18(12-26-30)20-28-19-21(29(20)3)24-13-25-23(19)33-17-6-5-16(11-17)27-22(31)15-7-9-32-10-8-15/h12-13,15-17H,4-11H2,1-3H3,(H,27,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 290n/an/an/an/an/an/a



Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334233
PNG
((S)-(3-((8-(1-ethyl-5-methyl-1H- pyrazol-4-yl)-9-m...)
Show SMILES CCn1ncc(c1C)-c1nc2c(SC3CCN(C3)C(=O)C3CCOCC3)ncnc2n1C
Show InChI InChI=1S/C22H29N7O2S/c1-4-29-14(2)17(11-25-29)19-26-18-20(27(19)3)23-13-24-21(18)32-16-5-8-28(12-16)22(30)15-6-9-31-10-7-15/h11,13,15-16H,4-10,12H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 18n/an/an/an/an/an/a



Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM333902
PNG
(6-{[1- (cyclohexylcarbonyl)pyrrolidin- 3-yl]oxy}-8...)
Show SMILES CCn1ncc(c1C)-c1nc2c(OC3CCN(C3)C(=O)C3CCCCC3)ncnc2n1C
Show InChI InChI=1S/C23H31N7O2/c1-4-30-15(2)18(12-26-30)20-27-19-21(28(20)3)24-14-25-22(19)32-17-10-11-29(13-17)23(31)16-8-6-5-7-9-16/h12,14,16-17H,4-11,13H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 22n/an/an/an/an/an/a



Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM333917
PNG
(8-(1-ethyl-5-methyl-1H-pyrazol- 4-yl)-9-methyl-6-(...)
Show SMILES CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)c3cc(C)on3)ncnc2n1C
Show InChI InChI=1S/C21H24N8O3/c1-5-29-13(3)15(9-24-29)18-25-17-19(27(18)4)22-11-23-20(17)31-14-6-7-28(10-14)21(30)16-8-12(2)32-26-16/h8-9,11,14H,5-7,10H2,1-4H3/t14-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 12n/an/an/an/an/an/a



Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM333918
PNG
(1-{2-[(3S)-3-{[8-(1-ethyl-5- methyl-1H-pyrazol-4-y...)
Show SMILES CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)CN3CCCC3=O)ncnc2n1C
Show InChI InChI=1S/C22H28N8O3/c1-4-30-14(2)16(10-25-30)20-26-19-21(27(20)3)23-13-24-22(19)33-15-7-9-29(11-15)18(32)12-28-8-5-6-17(28)31/h10,13,15H,4-9,11-12H2,1-3H3/t15-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 480n/an/an/an/an/an/a



Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM333919
PNG
(8-(1-ethyl-5-methyl-1H-pyrazol- 4-yl)-9-methyl-6-{...)
Show SMILES CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)c3cccc4ccccc34)ncnc2n1C
Show InChI InChI=1S/C27H27N7O2/c1-4-34-17(2)22(14-30-34)24-31-23-25(32(24)3)28-16-29-26(23)36-19-12-13-33(15-19)27(35)21-11-7-9-18-8-5-6-10-20(18)21/h5-11,14,16,19H,4,12-13,15H2,1-3H3/t19-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 67n/an/an/an/an/an/a



Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM333927
PNG
(6-({(3S)-1-[(2,5-dimethyl-1,3- oxazol-4-yl)carbony...)
Show SMILES CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)c3nc(C)oc3C)ncnc2n1C
Show InChI InChI=1S/C22H26N8O3/c1-6-30-12(2)16(9-25-30)19-27-18-20(28(19)5)23-11-24-21(18)33-15-7-8-29(10-15)22(31)17-13(3)32-14(4)26-17/h9,11,15H,6-8,10H2,1-5H3/t15-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 7.20n/an/an/an/an/an/a



Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM333931
PNG
(8-(1-ethyl-5-methyl-1H-pyrazol- 4-yl)-6-{[(3S)-1-(...)
Show SMILES CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)c3ccno3)ncnc2n1C
Show InChI InChI=1S/C20H22N8O3/c1-4-28-12(2)14(9-23-28)17-25-16-18(26(17)3)21-11-22-19(16)30-13-6-8-27(10-13)20(29)15-5-7-24-31-15/h5,7,9,11,13H,4,6,8,10H2,1-3H3/t13-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 4.70n/an/an/an/an/an/a



Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM333935
PNG
(8-(1-ethyl-5-methyl-1H-pyrazol- 4-yl)-9-methyl-6-(...)
Show SMILES CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)c3ccnn3C)ncnc2n1C
Show InChI InChI=1S/C21H25N9O2/c1-5-30-13(2)15(10-25-30)18-26-17-19(27(18)3)22-12-23-20(17)32-14-7-9-29(11-14)21(31)16-6-8-24-28(16)4/h6,8,10,12,14H,5,7,9,11H2,1-4H3/t14-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 22n/an/an/an/an/an/a



Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334239
PNG
((S)-isobutyl 3-((8-(1-ethyl-5- methyl-1H-pyrazol-4...)
Show SMILES CCn1ncc(c1C)-c1nc2c(SC3CCN(C3)C(=O)OCC(C)C)ncnc2n1C
Show InChI InChI=1S/C21H29N7O2S/c1-6-28-14(4)16(9-24-28)18-25-17-19(26(18)5)22-12-23-20(17)31-15-7-8-27(10-15)21(29)30-11-13(2)3/h9,12-13,15H,6-8,10-11H2,1-5H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 30n/an/an/an/an/an/a



Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334240
PNG
((S)-(3-((8-(1-ethyl-5-methyl-1H- pyrazol-4-yl)-9-m...)
Show SMILES CCn1ncc(c1C)-c1nc2c(SC3CCN(C3)C(=O)c3ccn(C)n3)ncnc2n1C
Show InChI InChI=1S/C21H25N9OS/c1-5-30-13(2)15(10-24-30)18-25-17-19(28(18)4)22-12-23-20(17)32-14-6-9-29(11-14)21(31)16-7-8-27(3)26-16/h7-8,10,12,14H,5-6,9,11H2,1-4H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 19n/an/an/an/an/an/a



Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334250
PNG
(8-(3-fluoro-4-methoxyphenoxy)- 9-methyl-6-{[(3S)-1...)
Show SMILES CCC(=O)N1CC[C@@H](C1)Oc1ncnc2n(C)c(Oc3ccc(OC)c(F)c3)nc12
Show InChI InChI=1S/C20H22FN5O4/c1-4-16(27)26-8-7-13(10-26)29-19-17-18(22-11-23-19)25(2)20(24-17)30-12-5-6-15(28-3)14(21)9-12/h5-6,9,11,13H,4,7-8,10H2,1-3H3/t13-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 120n/an/an/an/an/an/a



Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334258
PNG
(US9730940, Compound 13-8 | tert-butyl (3S)-3-{[9-e...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)OC(C)(C)C)ncnc12)N1CCC(C)C1
Show InChI InChI=1S/C21H32N6O3/c1-6-27-17-16(24-19(27)25-9-7-14(2)11-25)18(23-13-22-17)29-15-8-10-26(12-15)20(28)30-21(3,4)5/h13-15H,6-12H2,1-5H3/t14?,15-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 570n/an/an/an/an/an/a



Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))
BDBM334268
PNG
(US9730940, Compound 15-3 | tert-butyl (3S)-3-({8- ...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)OC(C)(C)C)ncnc12)C(=O)NCC1CC1
Show InChI InChI=1S/C21H30N6O4/c1-5-27-16-15(25-17(27)18(28)22-10-13-6-7-13)19(24-12-23-16)30-14-8-9-26(11-14)20(29)31-21(2,3)4/h12-14H,5-11H2,1-4H3,(H,22,28)/t14-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 150n/an/an/an/an/an/a



Merck Sharp & Dohme

US Patent


Assay Description
The PI3-Kinase biochemical assay was optimized using the HTRF kit provided by Upstate (Millipore). The assay kit contains six reagents: 1) 4 Reactio...


US Patent US9730940 (2017)

More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 387 total )  |  Next  |  Last  >>
* indicates data uncertainty>20%