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USPatent US10221178

Compile data set for download or QSAR
Found 83 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))		BDBM361913
PNG
(N-[(1S)-1-{[(cis)-2,6- dimethylmorpholin-4- yl]car...)
Show SMILES CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1ccc(nc1)C(F)(F)F)C(=O)N1C[C@H](C)O[C@H](C)C1 |r|
Show InChI InChI=1S/C23H28F3N7O2/c1-5-16(22(34)32-10-13(3)35-14(4)11-32)30-19-18-21(29-12-28-19)33(6-2)20(31-18)15-7-8-17(27-9-15)23(24,25)26/h7-9,12-14,16H,5-6,10-11H2,1-4H3,(H,28,29,30)/t13-,14+,16-/m0/s1
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n/an/a 2.80n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361958
PNG
(N-[(1S,2R)-1-{[(cis)-2,6- dimethylmorpholin-4- yl]...)
Show SMILES CCn1c(nc2c(N[C@@H]([C@@H](C)OC)C(=O)N3C[C@H](C)O[C@H](C)C3)ncnc12)-c1cnc(C)nc1 |r|
Show InChI InChI=1S/C23H32N8O3/c1-7-31-21(17-8-24-16(5)25-9-17)29-19-20(26-12-27-22(19)31)28-18(15(4)33-6)23(32)30-10-13(2)34-14(3)11-30/h8-9,12-15,18H,7,10-11H2,1-6H3,(H,26,27,28)/t13-,14+,15-,18+/m1/s1
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n/an/a 3.70n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361902
PNG
((R and S)-N-(1-{[(cis)-2,6- dimethylmorpholin-4- y...)
Show SMILES CCC(Nc1ncnc2n(C)c(nc12)-c1cnn(CC)c1C)C(=O)N1C[C@H](C)O[C@H](C)C1 |r|
Show InChI InChI=1S/C22H32N8O2/c1-7-17(22(31)29-10-13(3)32-14(4)11-29)26-19-18-21(24-12-23-19)28(6)20(27-18)16-9-25-30(8-2)15(16)5/h9,12-14,17H,7-8,10-11H2,1-6H3,(H,23,24,26)/t13-,14+,17?
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n/an/a 4n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361946
PNG
(N-{(1S)-1-cyclopropyl-2-[(cis)- 2,6-dimethylmorpho...)
Show SMILES CCn1c(nc2c(N[C@@H](C3CC3)C(=O)N3C[C@H](C)O[C@H](C)C3)ncnc12)-c1cnc(C)nc1 |r|
Show InChI InChI=1S/C23H30N8O2/c1-5-31-21(17-8-24-15(4)25-9-17)29-19-20(26-12-27-22(19)31)28-18(16-6-7-16)23(32)30-10-13(2)33-14(3)11-30/h8-9,12-14,16,18H,5-7,10-11H2,1-4H3,(H,26,27,28)/t13-,14+,18-/m0/s1
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n/an/a 4.10n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361955
PNG
(N-[(1S)-1-{[(cis)-2,6- dimethylmorpholin-4- yl]car...)
Show SMILES CCn1c(nc2c(N[C@@H](C(C)C)C(=O)N3C[C@H](C)O[C@H](C)C3)ncnc12)-c1cnc(C)nc1 |r|
Show InChI InChI=1S/C23H32N8O2/c1-7-31-21(17-8-24-16(6)25-9-17)29-19-20(26-12-27-22(19)31)28-18(13(2)3)23(32)30-10-14(4)33-15(5)11-30/h8-9,12-15,18H,7,10-11H2,1-6H3,(H,26,27,28)/t14-,15+,18-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361976
PNG
(N-[(1S)-1-{[cis-4,4-difluoro- 3,5-dimethylpiperidi...)
Show SMILES CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1C[C@H](C)C(F)(F)[C@H](C)C1 |r|
Show InChI InChI=1S/C23H30F2N8O/c1-6-17(22(34)32-10-13(3)23(24,25)14(4)11-32)30-19-18-21(29-12-28-19)33(7-2)20(31-18)16-8-26-15(5)27-9-16/h8-9,12-14,17H,6-7,10-11H2,1-5H3,(H,28,29,30)/t13-,14+,17-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361972
PNG
(N-{(R or S)-1-cyclopropyl-2- [(cis)-2,6-dimethylmo...)
Show SMILES CCn1c(nc2c(NC(C3CC3)C(=O)N3C[C@H](C)O[C@H](C)C3)ccnc12)-c1cnc(C)nc1 |r|
Show InChI InChI=1S/C24H31N7O2/c1-5-31-22(18-10-26-16(4)27-11-18)29-21-19(8-9-25-23(21)31)28-20(17-6-7-17)24(32)30-12-14(2)33-15(3)13-30/h8-11,14-15,17,20H,5-7,12-13H2,1-4H3,(H,25,28)/t14-,15+,20?
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361904
PNG
((R or S)-8-(1-ethyl-5-methyl-1H- pyrazol-4-yl)-9-m...)
Show SMILES CCC(Nc1ncnc2n(C)c(nc12)-c1cnn(CC)c1C)C(=O)N1CCOCC1
Show InChI InChI=1S/C20H28N8O2/c1-5-15(20(29)27-7-9-30-10-8-27)24-17-16-19(22-12-21-17)26(4)18(25-16)14-11-23-28(6-2)13(14)3/h11-12,15H,5-10H2,1-4H3,(H,21,22,24)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361948
PNG
(N-[(1S)-1-{[(cis)-2,6- dimethylmorpholin-4- yl]car...)
Show SMILES CCn1c(nc2c(N[C@H](C(=O)N3C[C@H](C)O[C@H](C)C3)C(C)(C)C)ncnc12)-c1cnc(C)nc1 |r|
Show InChI InChI=1S/C24H34N8O2/c1-8-32-21(17-9-25-16(4)26-10-17)29-18-20(27-13-28-22(18)32)30-19(24(5,6)7)23(33)31-11-14(2)34-15(3)12-31/h9-10,13-15,19H,8,11-12H2,1-7H3,(H,27,28,30)/t14-,15+,19-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361975
PNG
(9-ethyl-8-(2-methylpyrimidin- 5-yl)-N-[(1S)-1-{[ci...)
Show SMILES CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1C[C@H](C)N(C)[C@H](C)C1 |r|
Show InChI InChI=1S/C23H33N9O/c1-7-18(23(33)31-11-14(3)30(6)15(4)12-31)28-20-19-22(27-13-26-20)32(8-2)21(29-19)17-9-24-16(5)25-10-17/h9-10,13-15,18H,7-8,11-12H2,1-6H3,(H,26,27,28)/t14-,15+,18-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361977
PNG
((S or R)-4-[(2S)-2-{[9-ethyl-8- (2-methylpyrimidin...)
Show SMILES CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CC(C)N(C)C(=O)C1 |r|
Show InChI InChI=1S/C22H29N9O2/c1-6-16(22(33)30-10-13(3)29(5)17(32)11-30)27-19-18-21(26-12-25-19)31(7-2)20(28-18)15-8-23-14(4)24-9-15/h8-9,12-13,16H,6-7,10-11H2,1-5H3,(H,25,26,27)/t13?,16-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361912
PNG
(N-[(1S)-1-{[(cis)-2,6- dimethylmorpholin-4- yl]car...)
Show SMILES CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1C[C@H](C)O[C@H](C)C1 |r|
Show InChI InChI=1S/C22H30N8O2/c1-6-17(22(31)29-10-13(3)32-14(4)11-29)27-19-18-21(26-12-25-19)30(7-2)20(28-18)16-8-23-15(5)24-9-16/h8-9,12-14,17H,6-7,10-11H2,1-5H3,(H,25,26,27)/t13-,14+,17-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361970
PNG
(N-[(1S)-1-{[(cis)-2,6- dimethylmorpholin-4- yl]car...)
Show SMILES CC[C@H](Nc1ccnc2n(CC)c(nc12)-c1ccc(nc1)C(F)(F)F)C(=O)N1C[C@H](C)O[C@H](C)C1 |r|
Show InChI InChI=1S/C24H29F3N6O2/c1-5-17(23(34)32-12-14(3)35-15(4)13-32)30-18-9-10-28-22-20(18)31-21(33(22)6-2)16-7-8-19(29-11-16)24(25,26)27/h7-11,14-15,17H,5-6,12-13H2,1-4H3,(H,28,30)/t14-,15+,17-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361906
PNG
((R or S)-9-ethyl-8-(2- methylpyrimidin-5-yl)-N-[1-...)
Show SMILES CCC(Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C20H26N8O2/c1-4-15(20(29)27-6-8-30-9-7-27)25-17-16-19(24-12-23-17)28(5-2)18(26-16)14-10-21-13(3)22-11-14/h10-12,15H,4-9H2,1-3H3,(H,23,24,25)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361920
PNG
(N-{(1S)-1-[((3a(R and S), 6a(R and S)-1,1-dioxidoh...)
Show SMILES CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CC2CCS(=O)(=O)C2C1 |r|
Show InChI InChI=1S/C22H28N8O3S/c1-4-16(22(31)29-10-14-6-7-34(32,33)17(14)11-29)27-19-18-21(26-12-25-19)30(5-2)20(28-18)15-8-23-13(3)24-9-15/h8-9,12,14,16-17H,4-7,10-11H2,1-3H3,(H,25,26,27)/t14?,16-,17?/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361971
PNG
(N-[(1S,2R)-1-{[(cis)-2,6- dimethylmorpholin-4- yl]...)
Show SMILES CCn1c(nc2c(N[C@@H]([C@@H](C)OC)C(=O)N3C[C@H](C)O[C@H](C)C3)ccnc12)-c1cnc(C)nc1 |r|
Show InChI InChI=1S/C24H33N7O3/c1-7-31-22(18-10-26-17(5)27-11-18)29-21-19(8-9-25-23(21)31)28-20(16(4)33-6)24(32)30-12-14(2)34-15(3)13-30/h8-11,14-16,20H,7,12-13H2,1-6H3,(H,25,28)/t14-,15+,16-,20+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361956
PNG
((3S)-4-[(cis)-2,6- dimethylmorpholin-4-yl]-3-{[9- ...)
Show SMILES CCn1c(nc2c(N[C@H](C(=O)N3C[C@H](C)O[C@H](C)C3)C(C)(C)O)ncnc12)-c1cnc(C)nc1 |r|
Show InChI InChI=1S/C23H32N8O3/c1-7-31-20(16-8-24-15(4)25-9-16)28-17-19(26-12-27-21(17)31)29-18(23(5,6)33)22(32)30-10-13(2)34-14(3)11-30/h8-9,12-14,18,33H,7,10-11H2,1-6H3,(H,26,27,29)/t13-,14+,18-/m1/s1
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n/an/a 8.70n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361903
PNG
((R and S)-N-{1-[(4,4- difluoropiperidin-1- yl)carb...)
Show SMILES CCC(Nc1ncnc2n(C)c(nc12)-c1cnn(CC)c1C)C(=O)N1CCC(F)(F)CC1
Show InChI InChI=1S/C21H28F2N8O/c1-5-15(20(32)30-9-7-21(22,23)8-10-30)27-17-16-19(25-12-24-17)29(4)18(28-16)14-11-26-31(6-2)13(14)3/h11-12,15H,5-10H2,1-4H3,(H,24,25,27)
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n/an/a 9n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361942
PNG
(N-[(1S)-1-{[(trans)-2,6- dimethylmorpholin-4- yl]c...)
Show SMILES CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1C[C@H](C)O[C@@H](C)C1 |r|
Show InChI InChI=1S/C22H30N8O2/c1-6-17(22(31)29-10-13(3)32-14(4)11-29)27-19-18-21(26-12-25-19)30(7-2)20(28-18)16-8-23-15(5)24-9-16/h8-9,12-14,17H,6-7,10-11H2,1-5H3,(H,25,26,27)/t13-,14-,17-/m0/s1
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n/an/a 9.10n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361929
PNG
(9-ethyl-N-{(1S)-1-[((R and S)-3- methylpiperidin-1...)
Show SMILES CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CCCC(C)C1 |r|
Show InChI InChI=1S/C22H30N8O/c1-5-17(22(31)29-9-7-8-14(3)12-29)27-19-18-21(26-13-25-19)30(6-2)20(28-18)16-10-23-15(4)24-11-16/h10-11,13-14,17H,5-9,12H2,1-4H3,(H,25,26,27)/t14?,17-/m0/s1
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n/an/a 9.30n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361939
PNG
(N-{(1S)-1-[(2,2- dimethylmorpholin-4- yl)carbonyl]...)
Show SMILES CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CCOC(C)(C)C1 |r|
Show InChI InChI=1S/C22H30N8O2/c1-6-16(21(31)29-8-9-32-22(4,5)12-29)27-18-17-20(26-13-25-18)30(7-2)19(28-17)15-10-23-14(3)24-11-15/h10-11,13,16H,6-9,12H2,1-5H3,(H,25,26,27)/t16-/m0/s1
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n/an/a 9.80n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361944
PNG
(9-ethyl-N-[(1S)-1-(S and R)- (hexahydropyrrolo[1,2...)
Show SMILES CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CCN2CCCC2C1 |r|
Show InChI InChI=1S/C23H31N9O/c1-4-18(23(33)31-10-9-30-8-6-7-17(30)13-31)28-20-19-22(27-14-26-20)32(5-2)21(29-19)16-11-24-15(3)25-12-16/h11-12,14,17-18H,4-10,13H2,1-3H3,(H,26,27,28)/t17?,18-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361935
PNG
(9-ethyl-8-(2-methylpyrimidin-5- yl)-N-[(1S)-1-(4-o...)
Show SMILES CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CCOC2(CC2)C1 |r|
Show InChI InChI=1S/C22H28N8O2/c1-4-16(21(31)29-8-9-32-22(12-29)6-7-22)27-18-17-20(26-13-25-18)30(5-2)19(28-17)15-10-23-14(3)24-11-15/h10-11,13,16H,4-9,12H2,1-3H3,(H,25,26,27)/t16-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361933
PNG
(9-ethyl-8-(2-methylpyrimidin-5- yl)-N-[(1S)-1-(8-o...)
Show SMILES CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CCOCC11CCC1 |r|
Show InChI InChI=1S/C23H30N8O2/c1-4-17(22(32)31-9-10-33-13-23(31)7-6-8-23)28-19-18-21(27-14-26-19)30(5-2)20(29-18)16-11-24-15(3)25-12-16/h11-12,14,17H,4-10,13H2,1-3H3,(H,26,27,28)/t17-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361918
PNG
(N-{(1S)-1-[(3,3- difluoropiperidin-1- yl)carbonyl]...)
Show SMILES CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CCCC(F)(F)C1 |r|
Show InChI InChI=1S/C21H26F2N8O/c1-4-15(20(32)30-8-6-7-21(22,23)11-30)28-17-16-19(27-12-26-17)31(5-2)18(29-16)14-9-24-13(3)25-10-14/h9-10,12,15H,4-8,11H2,1-3H3,(H,26,27,28)/t15-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361945
PNG
(N-{(1S)-2-[(cis)-2,6- dimethylmorpholin-4-yl]-1- m...)
Show SMILES CCn1c(nc2c(N[C@@H](C)C(=O)N3C[C@H](C)O[C@H](C)C3)ncnc12)-c1cnc(C)nc1 |r|
Show InChI InChI=1S/C21H28N8O2/c1-6-29-19(16-7-22-15(5)23-8-16)27-17-18(24-11-25-20(17)29)26-14(4)21(30)28-9-12(2)31-13(3)10-28/h7-8,11-14H,6,9-10H2,1-5H3,(H,24,25,26)/t12-,13+,14-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361940
PNG
(N-{(1S)-1-[(3,3- dimethylmorpholin-4- yl)carbonyl]...)
Show SMILES CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CCOCC1(C)C |r|
Show InChI InChI=1S/C22H30N8O2/c1-6-16(21(31)30-8-9-32-12-22(30,4)5)27-18-17-20(26-13-25-18)29(7-2)19(28-17)15-10-23-14(3)24-11-15/h10-11,13,16H,6-9,12H2,1-5H3,(H,25,26,27)/t16-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361953
PNG
((2S)-3-[(cis)-2,6- dimethylmorpholin-4-yl]-2-{[9- ...)
Show SMILES CCn1c(nc2c(N[C@@H](CO)C(=O)N3C[C@H](C)O[C@H](C)C3)ncnc12)-c1cnc(C)nc1 |r|
Show InChI InChI=1S/C21H28N8O3/c1-5-29-19(15-6-22-14(4)23-7-15)27-17-18(24-11-25-20(17)29)26-16(10-30)21(31)28-8-12(2)32-13(3)9-28/h6-7,11-13,16,30H,5,8-10H2,1-4H3,(H,24,25,26)/t12-,13+,16-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361927
PNG
(N-[(1S)-1-(2-azaspiro[3.4]oct-2- ylcarbonyl)propyl...)
Show SMILES CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CC2(C1)CCCC2 |r|
Show InChI InChI=1S/C23H30N8O/c1-4-17(22(32)30-12-23(13-30)8-6-7-9-23)28-19-18-21(27-14-26-19)31(5-2)20(29-18)16-10-24-15(3)25-11-16/h10-11,14,17H,4-9,12-13H2,1-3H3,(H,26,27,28)/t17-/m0/s1
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n/an/a 14n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361926
PNG
(9-ethyl-8-(2-methylpyrimidin-5- yl)-N-{(1S)-1-[(ci...)
Show SMILES CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CC[C@@H]2CCCC[C@@H]2C1 |r|
Show InChI InChI=1S/C25H34N8O/c1-4-20(25(34)32-11-10-17-8-6-7-9-18(17)14-32)30-22-21-24(29-15-28-22)33(5-2)23(31-21)19-12-26-16(3)27-13-19/h12-13,15,17-18,20H,4-11,14H2,1-3H3,(H,28,29,30)/t17-,18+,20-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361907
PNG
(N-[(1R)-1-benzyl-2-morpholin-4- yl-2-oxoethyl]-8-(...)
Show SMILES CCn1ncc(c1C)-c1nc2c(N[C@H](Cc3ccccc3)C(=O)N3CCOCC3)ncnc2n1C |r|
Show InChI InChI=1S/C25H30N8O2/c1-4-33-17(2)19(15-28-33)23-30-21-22(26-16-27-24(21)31(23)3)29-20(14-18-8-6-5-7-9-18)25(34)32-10-12-35-13-11-32/h5-9,15-16,20H,4,10-14H2,1-3H3,(H,26,27,29)/t20-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361928
PNG
(N-{(1S)-1-[((R and S)-2- cyclopropylpyrrolidin-1- ...)
Show SMILES CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CCCC1C1CC1 |r|
Show InChI InChI=1S/C23H30N8O/c1-4-17(23(32)31-10-6-7-18(31)15-8-9-15)28-20-19-22(27-13-26-20)30(5-2)21(29-19)16-11-24-14(3)25-12-16/h11-13,15,17-18H,4-10H2,1-3H3,(H,26,27,28)/t17-,18?/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361969
PNG
(N-[(1S)-1-{[(cis)-2,6- dimethylmorpholin-4- yl]car...)
Show SMILES CC[C@H](Nc1ccnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1C[C@H](C)O[C@H](C)C1 |r|
Show InChI InChI=1S/C23H31N7O2/c1-6-18(23(31)29-12-14(3)32-15(4)13-29)27-19-8-9-24-22-20(19)28-21(30(22)7-2)17-10-25-16(5)26-11-17/h8-11,14-15,18H,6-7,12-13H2,1-5H3,(H,24,27)/t14-,15+,18-/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361936
PNG
(N-{(1S)-1-[((S and R)-3- cyclopropylmorpholin-4- y...)
Show SMILES CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CCOCC1C1CC1 |r|
Show InChI InChI=1S/C23H30N8O2/c1-4-17(23(32)31-8-9-33-12-18(31)15-6-7-15)28-20-19-22(27-13-26-20)30(5-2)21(29-19)16-10-24-14(3)25-11-16/h10-11,13,15,17-18H,4-9,12H2,1-3H3,(H,26,27,28)/t17-,18?/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361979
PNG
(4-[(2S)-2-{[9-ethyl-8-(2- methylpyrimidin-5-yl)-9H...)
Show SMILES CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CC(=O)NC(C)(C)C1 |r|
Show InChI InChI=1S/C22H29N9O2/c1-6-15(21(33)30-10-16(32)29-22(4,5)11-30)27-18-17-20(26-12-25-18)31(7-2)19(28-17)14-8-23-13(3)24-9-14/h8-9,12,15H,6-7,10-11H2,1-5H3,(H,29,32)(H,25,26,27)/t15-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361961
PNG
(N-{(2R)-3-[(cis)-2,6- dimethylmorpholin-4-yl]-2- m...)
Show SMILES CCn1c(nc2c(NC[C@@H](C)C(=O)N3C[C@H](C)O[C@H](C)C3)ncnc12)-c1cnc(C)nc1 |r|
Show InChI InChI=1S/C22H30N8O2/c1-6-30-20(17-8-23-16(5)24-9-17)28-18-19(26-12-27-21(18)30)25-7-13(2)22(31)29-10-14(3)32-15(4)11-29/h8-9,12-15H,6-7,10-11H2,1-5H3,(H,25,26,27)/t13-,14-,15+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361931
PNG
(9-ethyl-8-(2-methylpyrimidin-5- yl)-N-[(1S)-1-(1,4...)
Show SMILES CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CCCOCC1 |r|
Show InChI InChI=1S/C21H28N8O2/c1-4-16(21(30)28-7-6-9-31-10-8-28)26-18-17-20(25-13-24-18)29(5-2)19(27-17)15-11-22-14(3)23-12-15/h11-13,16H,4-10H2,1-3H3,(H,24,25,26)/t16-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361974
PNG
(N-[(1S)-1-{[cis-4-acetyl-3,5- dimethylpiperazin-1-...)
Show SMILES CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1C[C@H](C)N([C@H](C)C1)C(C)=O |r|
Show InChI InChI=1S/C24H33N9O2/c1-7-19(24(35)31-11-14(3)33(17(6)34)15(4)12-31)29-21-20-23(28-13-27-21)32(8-2)22(30-20)18-9-25-16(5)26-10-18/h9-10,13-15,19H,7-8,11-12H2,1-6H3,(H,27,28,29)/t14-,15+,19-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361934
PNG
(N-{(1S)-1-[((S and R)-2- cyclopropylmorpholin-4- y...)
Show SMILES CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CCOC(C1)C1CC1 |r|
Show InChI InChI=1S/C23H30N8O2/c1-4-17(23(32)30-8-9-33-18(12-30)15-6-7-15)28-20-19-22(27-13-26-20)31(5-2)21(29-19)16-10-24-14(3)25-11-16/h10-11,13,15,17-18H,4-9,12H2,1-3H3,(H,26,27,28)/t17-,18?/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361915
PNG
(9-ethyl-N-{(1S)-1-[(4- methoxyazepan-1- yl)carbony...)
Show SMILES CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CCCC(CC1)OC |r|
Show InChI InChI=1S/C23H32N8O2/c1-5-18(23(32)30-10-7-8-17(33-4)9-11-30)28-20-19-22(27-14-26-20)31(6-2)21(29-19)16-12-24-15(3)25-13-16/h12-14,17-18H,5-11H2,1-4H3,(H,26,27,28)/t17?,18-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361905
PNG
((R or S)-8-(1-ethyl-5-methyl-1H- pyrazol-4-yl)-9-m...)
Show SMILES CCn1ncc(c1C)-c1nc2c(NC(C)C(=O)N3CCOCC3)ncnc2n1C
Show InChI InChI=1S/C19H26N8O2/c1-5-27-13(3)14(10-22-27)17-24-15-16(20-11-21-18(15)25(17)4)23-12(2)19(28)26-6-8-29-9-7-26/h10-12H,5-9H2,1-4H3,(H,20,21,23)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361963
PNG
(N-[(1-{[(cis)-2,6- dimethylmorpholin-4- yl]carbony...)
Show SMILES CCn1c(nc2c(NCC3(CC3)C(=O)N3C[C@H](C)O[C@H](C)C3)ncnc12)-c1cnc(C)nc1 |r|
Show InChI InChI=1S/C23H30N8O2/c1-5-31-20(17-8-24-16(4)25-9-17)29-18-19(27-13-28-21(18)31)26-12-23(6-7-23)22(32)30-10-14(2)33-15(3)11-30/h8-9,13-15H,5-7,10-12H2,1-4H3,(H,26,27,28)/t14-,15+
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361901
PNG
((R and S)-N-[1-(azetidin-1- ylcarbonyl)propyl]-8-(...)
Show SMILES CCC(Nc1ncnc2n(C)c(nc12)-c1cnn(CC)c1C)C(=O)N1CCC1
Show InChI InChI=1S/C19H26N8O/c1-5-14(19(28)26-8-7-9-26)23-16-15-18(21-11-20-16)25(4)17(24-15)13-10-22-27(6-2)12(13)3/h10-11,14H,5-9H2,1-4H3,(H,20,21,23)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361951
PNG
(N-[(1S)-1-{[(cis)-2,6- dimethylmorpholin-4- yl]car...)
Show SMILES CCC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1C[C@H](C)O[C@H](C)C1 |r|
Show InChI InChI=1S/C23H32N8O2/c1-6-8-18(23(32)30-11-14(3)33-15(4)12-30)28-20-19-22(27-13-26-20)31(7-2)21(29-19)17-9-24-16(5)25-10-17/h9-10,13-15,18H,6-8,11-12H2,1-5H3,(H,26,27,28)/t14-,15+,18-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361977
PNG
((S or R)-4-[(2S)-2-{[9-ethyl-8- (2-methylpyrimidin...)
Show SMILES CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CC(C)N(C)C(=O)C1 |r|
Show InChI InChI=1S/C22H29N9O2/c1-6-16(22(33)30-10-13(3)29(5)17(32)11-30)27-19-18-21(26-12-25-19)31(7-2)20(28-18)15-8-23-14(4)24-9-15/h8-9,12-13,16H,6-7,10-11H2,1-5H3,(H,25,26,27)/t13?,16-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361919
PNG
(1-[(2S)-2-{[9-ethyl-8-(2- methylpyrimidin-5-yl)-9H...)
Show SMILES CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CCC(CC1)C#N |r|
Show InChI InChI=1S/C22H27N9O/c1-4-17(22(32)30-8-6-15(10-23)7-9-30)28-19-18-21(27-13-26-19)31(5-2)20(29-18)16-11-24-14(3)25-12-16/h11-13,15,17H,4-9H2,1-3H3,(H,26,27,28)/t17-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361952
PNG
(N-[(1S)-2-[(cis)-2,6- dimethylmorpholin-4-yl]-1- (...)
Show SMILES CCn1c(nc2c(N[C@@H](COC)C(=O)N3C[C@H](C)O[C@H](C)C3)ncnc12)-c1cnc(C)nc1 |r|
Show InChI InChI=1S/C22H30N8O3/c1-6-30-20(16-7-23-15(4)24-8-16)28-18-19(25-12-26-21(18)30)27-17(11-32-5)22(31)29-9-13(2)33-14(3)10-29/h7-8,12-14,17H,6,9-11H2,1-5H3,(H,25,26,27)/t13-,14+,17-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361930
PNG
(9-ethyl-8-(2-methylpyrimidin-5- yl)-N-{(1S)-1-[((S...)
Show SMILES CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CCSC1C |r|
Show InChI InChI=1S/C20H26N8OS/c1-5-15(20(29)28-7-8-30-13(28)4)25-17-16-19(24-11-23-17)27(6-2)18(26-16)14-9-21-12(3)22-10-14/h9-11,13,15H,5-8H2,1-4H3,(H,23,24,25)/t13?,15-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361966
PNG
(9-ethyl-N-[(2R)-2-methyl-3-oxo- 3-pyrrolidin-1-ylp...)
Show SMILES CCn1c(nc2c(NC[C@@H](C)C(=O)N3CCCC3)ncnc12)-c1cnc(C)nc1 |r|
Show InChI InChI=1S/C20H26N8O/c1-4-28-18(15-10-21-14(3)22-11-15)26-16-17(24-12-25-19(16)28)23-9-13(2)20(29)27-7-5-6-8-27/h10-13H,4-9H2,1-3H3,(H,23,24,25)/t13-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361973
PNG
((S or R)-3-cyclopropyl-1-(2- {[9-ethyl-8-(2- methy...)
Show SMILES CCC(Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CC(O)(C1)C1CC1
Show InChI InChI=1S/C22H28N8O2/c1-4-16(21(31)29-10-22(32,11-29)15-6-7-15)27-18-17-20(26-12-25-18)30(5-2)19(28-17)14-8-23-13(3)24-9-14/h8-9,12,15-16,32H,4-7,10-11H2,1-3H3,(H,25,26,27)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361924
PNG
(9-ethyl-8-(2-methylpyrimidin-5- yl)-N-{(1S)-1-[((S...)
Show SMILES CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CCC(C)C1 |r|
Show InChI InChI=1S/C21H28N8O/c1-5-16(21(30)28-8-7-13(3)11-28)26-18-17-20(25-12-24-18)29(6-2)19(27-17)15-9-22-14(4)23-10-15/h9-10,12-13,16H,5-8,11H2,1-4H3,(H,24,25,26)/t13?,16-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361914
PNG
(N-{(1S)-1-[(1,1- dioxidothiomorpholin-4- yl)carbon...)
Show SMILES CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CCS(=O)(=O)CC1 |r|
Show InChI InChI=1S/C20H26N8O3S/c1-4-15(20(29)27-6-8-32(30,31)9-7-27)25-17-16-19(24-12-23-17)28(5-2)18(26-16)14-10-21-13(3)22-11-14/h10-12,15H,4-9H2,1-3H3,(H,23,24,25)/t15-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361932
PNG
(9-ethyl-N-[(1S)-1-{[(3S)-3- methylmorpholin-4- yl]...)
Show SMILES CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CCOC[C@@H]1C |r|
Show InChI InChI=1S/C21H28N8O2/c1-5-16(21(30)29-7-8-31-11-13(29)3)26-18-17-20(25-12-24-18)28(6-2)19(27-17)15-9-22-14(4)23-10-15/h9-10,12-13,16H,5-8,11H2,1-4H3,(H,24,25,26)/t13-,16-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361937
PNG
(9-ethyl-8-(2-methylpyrimidin-5- yl)-N-{(1S)-1-[(1S...)
Show SMILES CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1C[C@@H]2C[C@H]1CO2 |r|
Show InChI InChI=1S/C21H26N8O2/c1-4-16(21(30)29-9-15-6-14(29)10-31-15)26-18-17-20(25-11-24-18)28(5-2)19(27-17)13-7-22-12(3)23-8-13/h7-8,11,14-16H,4-6,9-10H2,1-3H3,(H,24,25,26)/t14-,15-,16-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361921
PNG
(9-ethyl-N-[(1S)-1-{[(3S)-3- fluoropyrrolidin-1- yl...)
Show SMILES CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CC[C@H](F)C1 |r|
Show InChI InChI=1S/C20H25FN8O/c1-4-15(20(30)28-7-6-14(21)10-28)26-17-16-19(25-11-24-17)29(5-2)18(27-16)13-8-22-12(3)23-9-13/h8-9,11,14-15H,4-7,10H2,1-3H3,(H,24,25,26)/t14-,15-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361959
PNG
(N-{(1S)-3-[(cis)-2,6- dimethylmorpholin-4-yl]-1- m...)
Show SMILES CCn1c(nc2c(N[C@@H](C)CC(=O)N3C[C@H](C)O[C@H](C)C3)ncnc12)-c1cnc(C)nc1 |r|
Show InChI InChI=1S/C22H30N8O2/c1-6-30-21(17-8-23-16(5)24-9-17)28-19-20(25-12-26-22(19)30)27-13(2)7-18(31)29-10-14(3)32-15(4)11-29/h8-9,12-15H,6-7,10-11H2,1-5H3,(H,25,26,27)/t13-,14-,15+/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361980
PNG
((S or R)-9-ethyl-N-(1-{[3-(2- methylpropyl)-5,6- d...)
Show SMILES CCC(Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CCn2c(CC(C)C)nnc2C1
Show InChI InChI=1S/C25H33N11O/c1-6-18(25(37)34-8-9-36-19(10-15(3)4)32-33-20(36)13-34)30-22-21-24(29-14-28-22)35(7-2)23(31-21)17-11-26-16(5)27-12-17/h11-12,14-15,18H,6-10,13H2,1-5H3,(H,28,29,30)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361941
PNG
(9-ethyl-N-[(1S)-1-{[2- (methoxymethyl)morpholin-4 ...)
Show SMILES CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CCOC(COC)C1 |r|
Show InChI InChI=1S/C22H30N8O3/c1-5-17(22(31)29-7-8-33-16(11-29)12-32-4)27-19-18-21(26-13-25-19)30(6-2)20(28-18)15-9-23-14(3)24-10-15/h9-10,13,16-17H,5-8,11-12H2,1-4H3,(H,25,26,27)/t16?,17-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361981
PNG
((S or R)-9-ethyl-N-(1-{[1- methyl-3-(1-methylethyl...)
Show SMILES CCC(Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CCc2c(C1)c(nn2C)C(C)C
Show InChI InChI=1S/C26H34N10O/c1-7-19(26(37)35-10-9-20-18(13-35)21(15(3)4)33-34(20)6)31-23-22-25(30-14-29-23)36(8-2)24(32-22)17-11-27-16(5)28-12-17/h11-12,14-15,19H,7-10,13H2,1-6H3,(H,29,30,31)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361925
PNG
(9-ethyl-N-{(1S)-1-[((S and R)-3- methoxypyrrolidin...)
Show SMILES CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CCC(C1)OC |r|
Show InChI InChI=1S/C21H28N8O2/c1-5-16(21(30)28-8-7-15(11-28)31-4)26-18-17-20(25-12-24-18)29(6-2)19(27-17)14-9-22-13(3)23-10-14/h9-10,12,15-16H,5-8,11H2,1-4H3,(H,24,25,26)/t15?,16-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361954
PNG
(N-{(1S)-1-cyclopentyl-2-[(cis)- 2,6-dimethylmorpho...)
Show SMILES CCn1c(nc2c(N[C@@H](C3CCCC3)C(=O)N3C[C@H](C)O[C@H](C)C3)ncnc12)-c1cnc(C)nc1 |r|
Show InChI InChI=1S/C25H34N8O2/c1-5-33-23(19-10-26-17(4)27-11-19)31-21-22(28-14-29-24(21)33)30-20(18-8-6-7-9-18)25(34)32-12-15(2)35-16(3)13-32/h10-11,14-16,18,20H,5-9,12-13H2,1-4H3,(H,28,29,30)/t15-,16+,20-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361908
PNG
(N-[(1S)-1-benzyl-2-morpholin-4- yl-2-oxoethyl]-8-(...)
Show SMILES CCn1ncc(c1C)-c1nc2c(N[C@@H](Cc3ccccc3)C(=O)N3CCOCC3)ncnc2n1C |r|
Show InChI InChI=1S/C25H30N8O2/c1-4-33-17(2)19(15-28-33)23-30-21-22(26-16-27-24(21)31(23)3)29-20(14-18-8-6-5-7-9-18)25(34)32-10-12-35-13-11-32/h5-9,15-16,20H,4,10-14H2,1-3H3,(H,26,27,29)/t20-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361917
PNG
(N-[(1S)-1-{[3- (difluoromethyl)azetidin-1- yl]carb...)
Show SMILES CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CC(C1)C(F)F |r|
Show InChI InChI=1S/C20H24F2N8O/c1-4-14(20(31)29-8-13(9-29)16(21)22)27-17-15-19(26-10-25-17)30(5-2)18(28-15)12-6-23-11(3)24-7-12/h6-7,10,13-14,16H,4-5,8-9H2,1-3H3,(H,25,26,27)/t14-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361916
PNG
(9-ethyl-N-[(1S)-1-{[4-(2- methoxyethoxy)piperidin-...)
Show SMILES CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CCC(CC1)OCCOC |r|
Show InChI InChI=1S/C24H34N8O3/c1-5-19(24(33)31-9-7-18(8-10-31)35-12-11-34-4)29-21-20-23(28-15-27-21)32(6-2)22(30-20)17-13-25-16(3)26-14-17/h13-15,18-19H,5-12H2,1-4H3,(H,27,28,29)/t19-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361965
PNG
(9-ethyl-N-[(1S)-1-methyl-3-oxo- 3-pyrrolidin-1-ylp...)
Show SMILES CCn1c(nc2c(N[C@@H](C)CC(=O)N3CCCC3)ncnc12)-c1cnc(C)nc1 |r|
Show InChI InChI=1S/C20H26N8O/c1-4-28-19(15-10-21-14(3)22-11-15)26-17-18(23-12-24-20(17)28)25-13(2)9-16(29)27-7-5-6-8-27/h10-13H,4-9H2,1-3H3,(H,23,24,25)/t13-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361943
PNG
(US10221178, Compound 2-37 | {4-[(2S)-2-{[9-ethyl-8...)
Show SMILES CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CCOCC1CO |r|
Show InChI InChI=1S/C21H28N8O3/c1-4-16(21(31)29-6-7-32-11-15(29)10-30)26-18-17-20(25-12-24-18)28(5-2)19(27-17)14-8-22-13(3)23-9-14/h8-9,12,15-16,30H,4-7,10-11H2,1-3H3,(H,24,25,26)/t15?,16-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361923
PNG
(9-ethyl-N-{(1S)-1-[(3- methoxyazetidin-1- yl)carbo...)
Show SMILES CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CC(C1)OC |r|
Show InChI InChI=1S/C20H26N8O2/c1-5-15(20(29)27-9-14(10-27)30-4)25-17-16-19(24-11-23-17)28(6-2)18(26-16)13-7-21-12(3)22-8-13/h7-8,11,14-15H,5-6,9-10H2,1-4H3,(H,23,24,25)/t15-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361938
PNG
(9-ethyl-N-[(1S)-1-{[3-(1- methylethyl)morpholin-4-...)
Show SMILES CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CCOCC1C(C)C |r|
Show InChI InChI=1S/C23H32N8O2/c1-6-17(23(32)31-8-9-33-12-18(31)14(3)4)28-20-19-22(27-13-26-20)30(7-2)21(29-19)16-10-24-15(5)25-11-16/h10-11,13-14,17-18H,6-9,12H2,1-5H3,(H,26,27,28)/t17-,18?/m0/s1
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n/an/a 83n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361949
PNG
(N-{(1S)-2-[(cis)-2,6- dimethylmorpholin-4-yl]-2-ox...)
Show SMILES CCn1c(nc2c(N[C@H](C(=O)N3C[C@H](C)O[C@H](C)C3)c3ccccc3)ncnc12)-c1cnc(C)nc1 |r|
Show InChI InChI=1S/C26H30N8O2/c1-5-34-24(20-11-27-18(4)28-12-20)32-22-23(29-15-30-25(22)34)31-21(19-9-7-6-8-10-19)26(35)33-13-16(2)36-17(3)14-33/h6-12,15-17,21H,5,13-14H2,1-4H3,(H,29,30,31)/t16-,17+,21-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361967
PNG
(9-ethyl-8-(2-methylpyrimidin-5- yl)-N-{[1-(pyrroli...)
Show SMILES CCn1c(nc2c(NCC3(CC3)C(=O)N3CCCC3)ncnc12)-c1cnc(C)nc1
Show InChI InChI=1S/C21H26N8O/c1-3-29-18(15-10-22-14(2)23-11-15)27-16-17(25-13-26-19(16)29)24-12-21(6-7-21)20(30)28-8-4-5-9-28/h10-11,13H,3-9,12H2,1-2H3,(H,24,25,26)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361910
PNG
(8-(difluoromethyl)-N-[(1S)-1- {[(cis)-2,6-dimethyl...)
Show SMILES CC[C@H](Nc1ncnc2n(CC)c(nc12)C(F)F)C(=O)N1C[C@H](C)O[C@H](C)C1 |r|
Show InChI InChI=1S/C18H26F2N6O2/c1-5-12(18(27)25-7-10(3)28-11(4)8-25)23-15-13-16(22-9-21-15)26(6-2)17(24-13)14(19)20/h9-12,14H,5-8H2,1-4H3,(H,21,22,23)/t10-,11+,12-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361968
PNG
(9-ethyl-N-[(1R)-1-(1- methylethyl)-3-oxo-3-pyrroli...)
Show SMILES CCn1c(nc2c(N[C@H](CC(=O)N3CCCC3)C(C)C)ncnc12)-c1cnc(C)nc1 |r|
Show InChI InChI=1S/C22H30N8O/c1-5-30-21(16-11-23-15(4)24-12-16)28-19-20(25-13-26-22(19)30)27-17(14(2)3)10-18(31)29-8-6-7-9-29/h11-14,17H,5-10H2,1-4H3,(H,25,26,27)/t17-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361947
PNG
((3S)-4-[(cis)-2,6- dimethylmorpholin-4-yl]-3-{[9- ...)
Show SMILES CCn1c(nc2c(N[C@@H](CC(N)=O)C(=O)N3C[C@H](C)O[C@H](C)C3)ncnc12)-c1cnc(C)nc1 |r|
Show InChI InChI=1S/C22H29N9O3/c1-5-31-20(15-7-24-14(4)25-8-15)29-18-19(26-11-27-21(18)31)28-16(6-17(23)32)22(33)30-9-12(2)34-13(3)10-30/h7-8,11-13,16H,5-6,9-10H2,1-4H3,(H2,23,32)(H,26,27,28)/t12-,13+,16-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361922
PNG
(9-ethyl-N-[(1S)-1-{[(3R)-3- fluoropyrrolidin-1- yl...)
Show SMILES CC[C@H](Nc1ncnc2n(CC)c(nc12)-c1cnc(C)nc1)C(=O)N1CC[C@@H](F)C1 |r|
Show InChI InChI=1S/C20H25FN8O/c1-4-15(20(30)28-7-6-14(21)10-28)26-17-16-19(25-11-24-17)29(5-2)18(27-16)13-8-22-12(3)23-9-13/h8-9,11,14-15H,4-7,10H2,1-3H3,(H,24,25,26)/t14-,15+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361950
PNG
(N-[(1S)-1-{[(cis)-2,6- dimethylmorpholin-4- yl]car...)
Show SMILES CCn1c(nc2c(N[C@@H](CC(C)C)C(=O)N3C[C@H](C)O[C@H](C)C3)ncnc12)-c1cnc(C)nc1 |r|
Show InChI InChI=1S/C24H34N8O2/c1-7-32-22(18-9-25-17(6)26-10-18)30-20-21(27-13-28-23(20)32)29-19(8-14(2)3)24(33)31-11-15(4)34-16(5)12-31/h9-10,13-16,19H,7-8,11-12H2,1-6H3,(H,27,28,29)/t15-,16+,19-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361911
PNG
(8-(difluoromethyl)-N-{(1S)-2- [(cis)-2,6-dimethylm...)
Show SMILES CCn1c(nc2c(N[C@@H](C)C(=O)N3C[C@H](C)O[C@H](C)C3)ncnc12)C(F)F |r|
Show InChI InChI=1S/C17H24F2N6O2/c1-5-25-15-12(23-16(25)13(18)19)14(20-8-21-15)22-11(4)17(26)24-6-9(2)27-10(3)7-24/h8-11,13H,5-7H2,1-4H3,(H,20,21,22)/t9-,10+,11-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361900
PNG
((R and S)-8-(1-ethyl-5-methyl- 1H-pyrazol-4-yl)-9-...)
Show SMILES CCC(Oc1ncnc2n(C)c(nc12)-c1cnn(CC)c1C)C(=O)N1CCCCC1
Show InChI InChI=1S/C21H29N7O2/c1-5-16(21(29)27-10-8-7-9-11-27)30-20-17-19(22-13-23-20)26(4)18(25-17)15-12-24-28(6-2)14(15)3/h12-13,16H,5-11H2,1-4H3
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361960
PNG
(N-{(2S)-3-[(cis)-2,6- dimethylmorpholin-4-yl]-2- m...)
Show SMILES CCn1c(nc2c(NC[C@H](C)C(=O)N3C[C@H](C)O[C@H](C)C3)ncnc12)-c1cnc(C)nc1 |r|
Show InChI InChI=1S/C22H30N8O2/c1-6-30-20(17-8-23-16(5)24-9-17)28-18-19(26-12-27-21(18)30)25-7-13(2)22(31)29-10-14(3)32-15(4)11-29/h8-9,12-15H,6-7,10-11H2,1-5H3,(H,25,26,27)/t13-,14-,15+/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361964
PNG
(N-[(1R)-3-[(cis)-2,6- dimethylmorpholin-4-yl]-1-(1...)
Show SMILES CCn1c(nc2c(N[C@H](CC(=O)N3C[C@H](C)O[C@H](C)C3)C(C)C)ncnc12)-c1cnc(C)nc1 |r|
Show InChI InChI=1S/C24H34N8O2/c1-7-32-23(18-9-25-17(6)26-10-18)30-21-22(27-13-28-24(21)32)29-19(14(2)3)8-20(33)31-11-15(4)34-16(5)12-31/h9-10,13-16,19H,7-8,11-12H2,1-6H3,(H,27,28,29)/t15-,16+,19-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361899
PNG
((R and S)-8-(1-ethyl-5-methyl- 1H-pyrazol-4-yl)-9-...)
Show SMILES CCC(Oc1ncnc2n(C)c(nc12)-c1cnn(CC)c1C)C(=O)N1CCOCC1
Show InChI InChI=1S/C20H27N7O3/c1-5-15(20(28)26-7-9-29-10-8-26)30-19-16-18(21-12-22-19)25(4)17(24-16)14-11-23-27(6-2)13(14)3/h11-12,15H,5-10H2,1-4H3
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361957
PNG
((2S)-3-[(cis)-2,6- dimethylmorpholin-4-yl]-N-2-[9-...)
Show SMILES CCn1c(nc2c(N[C@@H](CN(C)C)C(=O)N3C[C@H](C)O[C@H](C)C3)ncnc12)-c1cnc(C)nc1 |r|
Show InChI InChI=1S/C23H33N9O2/c1-7-32-21(17-8-24-16(4)25-9-17)29-19-20(26-13-27-22(19)32)28-18(12-30(5)6)23(33)31-10-14(2)34-15(3)11-31/h8-9,13-15,18H,7,10-12H2,1-6H3,(H,26,27,28)/t14-,15+,18-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361909
PNG
(N-{1-[(4,4-difluoropiperidin-1- yl)carbonyl]cyclop...)
Show SMILES CCn1c(nc2c(NC3(CC3)C(=O)N3CCC(F)(F)CC3)ncnc12)-c1cnc(C)nc1
Show InChI InChI=1S/C21H24F2N8O/c1-3-31-17(14-10-24-13(2)25-11-14)28-15-16(26-12-27-18(15)31)29-20(4-5-20)19(32)30-8-6-21(22,23)7-9-30/h10-12H,3-9H2,1-2H3,(H,26,27,29)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform


(Homo sapiens (Human))		BDBM361962
PNG
(N-{(1R)-3-[(cis)-2,6- dimethylmorpholin-4-yl]-3-ox...)
Show SMILES CCn1c(nc2c(N[C@H](CC(=O)N3C[C@H](C)O[C@H](C)C3)c3ccccc3)ncnc12)-c1cnc(C)nc1 |r|
Show InChI InChI=1S/C27H32N8O2/c1-5-35-26(21-12-28-19(4)29-13-21)33-24-25(30-16-31-27(24)35)32-22(20-9-7-6-8-10-20)11-23(36)34-14-17(2)37-18(3)15-34/h6-10,12-13,16-18,22H,5,11,14-15H2,1-4H3,(H,30,31,32)/t17-,18+,22-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
Compounds are serially diluted (3-fold in 100% DMSO) across a 384-well polypropylene source plated from column 3 to column 12 and column 13 to column...

US Patent US10221178 (2019)


BindingDB Entry DOI: 10.7270/Q20C4Z2D
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%