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))
BDBM333882
PNG
(US9730940, Compound 1-35 | tert-butyl (3S)-3-{[8-(...)
Show SMILES CCn1c(nc2c(OC3CCN(C3)C(=O)OC(C)(C)C)ncnc12)-c1cnc(s1)C(C)(C)C
Show InChI InChI=1S/C23H32N6O3S/c1-8-29-17(15-11-24-20(33-15)22(2,3)4)27-16-18(29)25-13-26-19(16)31-14-9-10-28(12-14)21(30)32-23(5,6)7/h11,13-14H,8-10,12H2,1-7H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.5n/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))
BDBM333988
PNG
((S)-1-(3-((9-ethyl-8-(6-methoxy- 5-methylpyridin-3...)
Show SMILES CCC(=O)N1CCC(C1)Oc1ncnc2n(CC)c(nc12)-c1cnc(OC)c(C)c1
Show InChI InChI=1S/C21H26N6O3/c1-5-16(28)26-8-7-15(11-26)30-21-17-19(23-12-24-21)27(6-2)18(25-17)14-9-13(3)20(29-4)22-10-14/h9-10,12,15H,5-8,11H2,1-4H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.5n/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))
BDBM333992
PNG
((S)-1-(3-((9-ethyl-8-(1-ethyl-5- methyl-1H-pyrazol...)
Show SMILES CCC(=O)N1CCC(C1)Oc1ncnc2n(CC)c(nc12)-c1cnn(CC)c1C
Show InChI InChI=1S/C20H27N7O2/c1-5-16(28)25-9-8-14(11-25)29-20-17-19(21-12-22-20)26(6-2)18(24-17)15-10-23-27(7-3)13(15)4/h10,12,14H,5-9,11H2,1-4H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.600n/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))
BDBM333881
PNG
(US9730940, Compound 1-34 | tert-butyl (3S)-3-{[9-e...)
Show SMILES CCn1c(nc2c(OC3CCN(C3)C(=O)OC(C)(C)C)ncnc12)-c1cnc(OC)c(C)c1
Show InChI InChI=1S/C23H30N6O4/c1-7-29-18(15-10-14(2)20(31-6)24-11-15)27-17-19(29)25-13-26-21(17)32-16-8-9-28(12-16)22(30)33-23(3,4)5/h10-11,13,16H,7-9,12H2,1-6H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.700n/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))
BDBM334043
PNG
(6-{[(3S)-1- (cyclopropylcarbonyl)pyrrolidin- 3-yl]...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1ccc(OC)nc1
Show InChI InChI=1S/C21H24N6O3/c1-3-27-18(14-6-7-16(29-2)22-10-14)25-17-19(27)23-12-24-20(17)30-15-8-9-26(11-15)21(28)13-4-5-13/h6-7,10,12-13,15H,3-5,8-9,11H2,1-2H3/t15-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
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))
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
AffyNet 
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))
BDBM334126
PNG
((S)-(3-((9-ethyl-8-(1-ethyl-5- methyl-1H-pyrazol-4...)
Show SMILES CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)C3CCOCC3)ncnc2n1CC
Show InChI InChI=1S/C23H31N7O3/c1-4-29-20(18-12-26-30(5-2)15(18)3)27-19-21(29)24-14-25-22(19)33-17-6-9-28(13-17)23(31)16-7-10-32-11-8-16/h12,14,16-17H,4-11,13H2,1-3H3/t17-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
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))
BDBM334119
PNG
(6-{[(3S)-1- (cyclopropylcarbonyl)pyrrolidin- 3-yl]...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1cnn2CCCCc12
Show InChI InChI=1S/C22H27N7O2/c1-2-28-19(16-11-25-29-9-4-3-5-17(16)29)26-18-20(28)23-13-24-21(18)31-15-8-10-27(12-15)22(30)14-6-7-14/h11,13-15H,2-10,12H2,1H3/t15-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
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))
BDBM334099
PNG
(N-[5-(6-{[(3S)-1- (cyclopropylcarbonyl)pyrrolidin-...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1cnc(OC)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C22H27N7O5S/c1-4-29-18(14-9-16(27-35(3,31)32)20(33-2)23-10-14)26-17-19(29)24-12-25-21(17)34-15-7-8-28(11-15)22(30)13-5-6-13/h9-10,12-13,15,27H,4-8,11H2,1-3H3/t15-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
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))
BDBM334177
PNG
((S)-(3-((9-ethyl-8-(6- (trifluoromethyl)pyridin-3-...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)N3CC(C3)OC)ncnc12)-c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C22H24F3N7O3/c1-3-32-18(13-4-5-16(26-8-13)22(23,24)25)29-17-19(32)27-12-28-20(17)35-14-6-7-30(9-14)21(33)31-10-15(11-31)34-2/h4-5,8,12,14-15H,3,6-7,9-11H2,1-2H3/t14-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
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
AffyNet 
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))
BDBM334085
PNG
(8-(5-chloro-6-methoxypyridin- 3-yl)-6-{[(3S)-1- (c...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1cnc(OC)c(Cl)c1
Show InChI InChI=1S/C21H23ClN6O3/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
AffyNet 
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))
BDBM334081
PNG
(6-{[(3S)-1- (cyclopropylcarbonyl)pyrrolidin- 3-yl]...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1cnc2[nH]ccc2c1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
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))
BDBM334021
PNG
(9-ethyl-8-(2-methylpyrimidin-5- yl)-6-{[(3S)-1-((R...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC33CCCC3)ncnc12)-c1cnc(C)nc1
Show InChI InChI=1S/C24H29N7O2/c1-3-31-20(16-11-25-15(2)26-12-16)29-19-21(31)27-14-28-22(19)33-17-6-9-30(13-17)23(32)18-10-24(18)7-4-5-8-24/h11-12,14,17-18H,3-10,13H2,1-2H3/t17-,18?/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
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))
BDBM334122
PNG
(9-ethyl-6-{[(3S)-1-(2- methylpropanoyl)pyrrolidin-...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C(C)C)ncnc12)-c1cnn2CCCCc12
Show InChI InChI=1S/C22H29N7O2/c1-4-28-19(16-11-25-29-9-6-5-7-17(16)29)26-18-20(28)23-13-24-21(18)31-15-8-10-27(12-15)22(30)14(2)3/h11,13-15H,4-10,12H2,1-3H3/t15-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
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))
BDBM334115
PNG
(9-ethyl-8-(5-fluoro-6- methoxypyridin-3-yl)-6-{[(3...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CCOCC3)ncnc12)-c1cnc(OC)c(F)c1
Show InChI InChI=1S/C23H27FN6O4/c1-3-30-19(15-10-17(24)21(32-2)25-11-15)28-18-20(30)26-13-27-22(18)34-16-4-7-29(12-16)23(31)14-5-8-33-9-6-14/h10-11,13-14,16H,3-9,12H2,1-2H3/t16-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
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))
BDBM334032
PNG
(9-ethyl-6-{[(3S)-1-{[(1S,2S)- or (1R,2R)-2- (fluor...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3CF)ncnc12)-c1cnc(C)nc1
Show InChI InChI=1S/C21H24FN7O2/c1-3-29-18(14-8-23-12(2)24-9-14)27-17-19(29)25-11-26-20(17)31-15-4-5-28(10-15)21(30)16-6-13(16)7-22/h8-9,11,13,15-16H,3-7,10H2,1-2H3/t13?,15-,16?/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
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
AffyNet 
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))
BDBM334079
PNG
(6-{[(3S)-1- (cyclopropylcarbonyl)pyrrolidin- 3-yl]...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1cnn(c1C)-c1ccccc1
Show InChI InChI=1S/C25H27N7O2/c1-3-31-22(20-13-28-32(16(20)2)18-7-5-4-6-8-18)29-21-23(31)26-15-27-24(21)34-19-11-12-30(14-19)25(33)17-9-10-17/h4-8,13,15,17,19H,3,9-12,14H2,1-2H3/t19-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
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))
BDBM334108
PNG
(6-{[(3S)-1- (cyclopropylcarbonyl)pyrrolidin- 3-yl]...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1cnc(OC)c(C)c1
Show InChI InChI=1S/C22H26N6O3/c1-4-28-18(15-9-13(2)20(30-3)23-10-15)26-17-19(28)24-12-25-21(17)31-16-7-8-27(11-16)22(29)14-5-6-14/h9-10,12,14,16H,4-8,11H2,1-3H3/t16-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
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))
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
AffyNet 
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))
BDBM334114
PNG
(6-({(3S)-1-[(3,3- difluorocyclobutyl)carbonyl]pyr-...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC(F)(F)C3)ncnc12)-c1cnc(OC)c(F)c1
Show InChI InChI=1S/C22H23F3N6O3/c1-3-31-17(12-6-15(23)19(33-2)26-9-12)29-16-18(31)27-11-28-20(16)34-14-4-5-30(10-14)21(32)13-7-22(24,25)8-13/h6,9,11,13-14H,3-5,7-8,10H2,1-2H3/t14-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
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))
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
AffyNet 
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))
BDBM334083
PNG
(5-{[(3S)-1- (cyclopropylcarbonyl)pyrrolidin- 3-yl]...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1cnc(OC)c(c1)C(F)(F)F
Show InChI InChI=1S/C22H23F3N6O3/c1-3-31-17(13-8-15(22(23,24)25)19(33-2)26-9-13)29-16-18(31)27-11-28-20(16)34-14-6-7-30(10-14)21(32)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
AffyNet 
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))
BDBM334110
PNG
(6-({(3S)-1-[(3,3- difluorocyclobutyl)carbonyl]pyr-...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC(F)(F)C3)ncnc12)-c1ccc(OC)nc1
Show InChI InChI=1S/C22H24F2N6O3/c1-3-30-18(13-4-5-16(32-2)25-10-13)28-17-19(30)26-12-27-20(17)33-15-6-7-29(11-15)21(31)14-8-22(23,24)9-14/h4-5,10,12,14-15H,3,6-9,11H2,1-2H3/t15-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
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))
BDBM334102
PNG
(5-(6-{[(3S)-1- (cyclopropylcarbonyl)pyrrolidin- 3-...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1cnc(N)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H22F3N7O2/c1-2-31-17(12-7-14(21(22,23)24)16(25)26-8-12)29-15-18(31)27-10-28-19(15)33-13-5-6-30(9-13)20(32)11-3-4-11/h7-8,10-11,13H,2-6,9H2,1H3,(H2,25,26)/t13-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.10n/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))
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
AffyNet 
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))
BDBM333923
PNG
(6-({(3S)-1-[(2,2- dimethyltetrahydro-2H-pyran-4- y...)
Show SMILES CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)C3CCOC(C)(C)C3)ncnc2n1C
Show InChI InChI=1S/C24H33N7O3/c1-6-31-15(2)18(12-27-31)20-28-19-21(29(20)5)25-14-26-22(19)34-17-7-9-30(13-17)23(32)16-8-10-33-24(3,4)11-16/h12,14,16-17H,6-11,13H2,1-5H3/t16?,17-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
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))
BDBM334009
PNG
(6-({(3S)-1-[(1R,2S,4S)- bicyclo[2.2.1]hept-2- ylca...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)[C@H]3C[C@H]4CC[C@@H]3C4)ncnc12)-c1cnc(C)nc1
Show InChI InChI=1S/C24H29N7O2/c1-3-31-21(17-10-25-14(2)26-11-17)29-20-22(31)27-13-28-23(20)33-18-6-7-30(12-18)24(32)19-9-15-4-5-16(19)8-15/h10-11,13,15-16,18-19H,3-9,12H2,1-2H3/t15-,16+,18-,19-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
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))
BDBM334029
PNG
(9-ethyl-6-({(3S)-1-[(3- methylcyclobutyl)carbonyl]...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC(C)C3)ncnc12)-c1cnc(C)nc1
Show InChI InChI=1S/C22H27N7O2/c1-4-29-19(16-9-23-14(3)24-10-16)27-18-20(29)25-12-26-21(18)31-17-5-6-28(11-17)22(30)15-7-13(2)8-15/h9-10,12-13,15,17H,4-8,11H2,1-3H3/t13?,15?,17-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
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))
BDBM334158
PNG
(6-{[(3S)-1-(azetidin-1- ylcarbonyl)pyrrolidin-3-yl...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)N3CCC3)ncnc12)-c1cnc(C)nc1
Show InChI InChI=1S/C20H24N8O2/c1-3-28-17(14-9-21-13(2)22-10-14)25-16-18(28)23-12-24-19(16)30-15-5-8-27(11-15)20(29)26-6-4-7-26/h9-10,12,15H,3-8,11H2,1-2H3/t15-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
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))
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
AffyNet 
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))
BDBM334030
PNG
((1S,2S)- or (1R,2R)-{[(3S)-3- {[9-ethyl-8-(2-methy...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3CO)ncnc12)-c1cnc(C)nc1
Show InChI InChI=1S/C21H25N7O3/c1-3-28-18(14-7-22-12(2)23-8-14)26-17-19(28)24-11-25-20(17)31-15-4-5-27(9-15)21(30)16-6-13(16)10-29/h7-8,11,13,15-16,29H,3-6,9-10H2,1-2H3/t13?,15-,16?/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.40n/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
AffyNet 
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))
BDBM334007
PNG
(9-ethyl-6-({(3S)-1-[(2- methylcyclopropyl)carbonyl...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3C)ncnc12)-c1cnc(C)nc1
Show InChI InChI=1S/C21H25N7O2/c1-4-28-18(14-8-22-13(3)23-9-14)26-17-19(28)24-11-25-20(17)30-15-5-6-27(10-15)21(29)16-7-12(16)2/h8-9,11-12,15-16H,4-7,10H2,1-3H3/t12?,15-,16?/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
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))
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
AffyNet 
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))
BDBM334111
PNG
(9-ethyl-8-(6-methoxypyridin-3- yl)-6-{[(3S)-1-(tet...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CCOCC3)ncnc12)-c1ccc(OC)nc1
Show InChI InChI=1S/C23H28N6O4/c1-3-29-20(16-4-5-18(31-2)24-12-16)27-19-21(29)25-14-26-22(19)33-17-6-9-28(13-17)23(30)15-7-10-32-11-8-15/h4-5,12,14-15,17H,3,6-11,13H2,1-2H3/t17-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
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))
BDBM334209
PNG
(9-ethyl-8-(2-methylpyrimidin-5- yl)-6-{[(3S)-1-pyr...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)c3ccccn3)ncnc12)-c1cnc(C)nc1
Show InChI InChI=1S/C21H22N8O/c1-3-29-19(15-10-23-14(2)24-11-15)27-18-20(29)25-13-26-21(18)30-16-7-9-28(12-16)17-6-4-5-8-22-17/h4-6,8,10-11,13,16H,3,7,9,12H2,1-2H3/t16-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.70n/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))
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
AffyNet 
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))
BDBM334096
PNG
(N-[2-methoxy-5-(9-methyl-6- {[(3S)-1-propanoylpyrr...)
Show SMILES CCC(=O)N1CC[C@@H](C1)Oc1ncnc2n(C)c(nc12)-c1cnc(OC)c(NS(C)(=O)=O)c1
Show InChI InChI=1S/C20H25N7O5S/c1-5-15(28)27-7-6-13(10-27)32-20-16-18(22-11-23-20)26(2)17(24-16)12-8-14(25-33(4,29)30)19(31-3)21-9-12/h8-9,11,13,25H,5-7,10H2,1-4H3/t13-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/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))
BDBM334109
PNG
(9-ethyl-8-(6-methoxypyridin-3- yl)-6-{[(3S)-1-(2- ...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C(C)C)ncnc12)-c1ccc(OC)nc1
Show InChI InChI=1S/C21H26N6O3/c1-5-27-18(14-6-7-16(29-4)22-10-14)25-17-19(27)23-12-24-20(17)30-15-8-9-26(11-15)21(28)13(2)3/h6-7,10,12-13,15H,5,8-9,11H2,1-4H3/t15-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.10n/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))
BDBM333993
PNG
((S)-1-(3-((8-(6-methoxy-5- methylpyridin-3-yl)-9-m...)
Show SMILES CCC(=O)N1CCC(C1)Oc1ncnc2n(C)c(nc12)-c1cnc(OC)c(C)c1
Show InChI InChI=1S/C20H24N6O3/c1-5-15(27)26-7-6-14(10-26)29-20-16-18(22-11-23-20)25(3)17(24-16)13-8-12(2)19(28-4)21-9-13/h8-9,11,14H,5-7,10H2,1-4H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.10n/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))
BDBM333936
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)c3ccn(C)n3)ncnc2n1C
Show InChI InChI=1S/C21H25N9O2/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/t14-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.20n/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))
BDBM334080
PNG
(6-{[(3S)-1- (cyclopropylcarbonyl)pyrrolidin- 3-yl]...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1ccc(OC)c(F)c1
Show InChI InChI=1S/C22H24FN5O3/c1-3-28-19(14-6-7-17(30-2)16(23)10-14)26-18-20(28)24-12-25-21(18)31-15-8-9-27(11-15)22(29)13-4-5-13/h6-7,10,12-13,15H,3-5,8-9,11H2,1-2H3/t15-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.20n/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))
BDBM333994
PNG
((S)-1-(3-((8-(2-(tert- butyl)thiazol-5-yl)-9-ethyl...)
Show SMILES CCC(=O)N1CCC(C1)Oc1ncnc2n(CC)c(nc12)-c1cnc(s1)C(C)(C)C
Show InChI InChI=1S/C21H28N6O2S/c1-6-15(28)26-9-8-13(11-26)29-19-16-18(23-12-24-19)27(7-2)17(25-16)14-10-22-20(30-14)21(3,4)5/h10,12-13H,6-9,11H2,1-5H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.20n/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))
BDBM334213
PNG
(9-ethyl-6-{[(3S)-1-(3- fluorophenyl)pyrrolidin-3- ...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)c3cccc(F)c3)ncnc12)-c1cnc(C)nc1
Show InChI InChI=1S/C22H22FN7O/c1-3-30-20(15-10-24-14(2)25-11-15)28-19-21(30)26-13-27-22(19)31-18-7-8-29(12-18)17-6-4-5-16(23)9-17/h4-6,9-11,13,18H,3,7-8,12H2,1-2H3/t18-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.20n/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))
BDBM334127
PNG
(US9730940, Compound 3-62 | racemic-6-{[1- (cyclopr...)
Show SMILES CCn1c(nc2c(O[C@@H]3CN(CC3(C)C)C(=O)C3CC3)ncnc12)-c1cnc(C)nc1
Show InChI InChI=1S/C22H27N7O2/c1-5-29-18(15-8-23-13(2)24-9-15)27-17-19(29)25-12-26-20(17)31-16-10-28(11-22(16,3)4)21(30)14-6-7-14/h8-9,12,14,16H,5-7,10-11H2,1-4H3/t16-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.30n/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))
BDBM334098
PNG
(9-methyl-6-{[(3S)-1- propanoylpyrrolidin-3-yl]oxy}...)
Show SMILES CCC(=O)N1CC[C@@H](C1)Oc1ncnc2n(C)c(nc12)-c1cnn2CCCCc12
Show InChI InChI=1S/C20H25N7O2/c1-3-16(28)26-9-7-13(11-26)29-20-17-19(21-12-22-20)25(2)18(24-17)14-10-23-27-8-5-4-6-15(14)27/h10,12-13H,3-9,11H2,1-2H3/t13-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.40n/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))
BDBM334100
PNG
(5-(6-{[(3S)-1- (cyclopropylcarbonyl)pyrrolidin- 3-...)
Show SMILES CCn1c(nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc12)-c1cnc(OC)c(c1)C#N
Show InChI InChI=1S/C22H23N7O3/c1-3-29-18(15-8-14(9-23)20(31-2)24-10-15)27-17-19(29)25-12-26-21(17)32-16-6-7-28(11-16)22(30)13-4-5-13/h8,10,12-13,16H,3-7,11H2,1-2H3/t16-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.40n/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))
BDBM334093
PNG
(8-[4-methoxy-3- (trifluoromethyl)phenyl]-9- methyl...)
Show SMILES CCC(=O)N1CC[C@@H](C1)Oc1ncnc2n(C)c(nc12)-c1ccc(OC)c(c1)C(F)(F)F
Show InChI InChI=1S/C21H22F3N5O3/c1-4-16(30)29-8-7-13(10-29)32-20-17-19(25-11-26-20)28(2)18(27-17)12-5-6-15(31-3)14(9-12)21(22,23)24/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
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.5n/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
Displayed 1 to 50 (of 387 total )  |  Next  |  Last  >>
* indicates data uncertainty>20%