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Compile Data Set for Download or QSAR

Found 95 hits with Last Name = 'bian' and Initial = 'd'   
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))		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))		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))		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))		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))		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))		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))		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))		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))		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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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))		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))		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))		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))		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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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))		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))		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))		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))		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))		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))		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
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