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Compile Data Set for Download or QSAR

Found 1400 hits with Last Name = 'srivastava' and Initial = 'as'   
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/gamma isoform


(Homo sapiens (Human))
BDBM50239718
PNG
(CHEMBL4064666 | US10214537, Example 639)
Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F
Show InChI InChI=1S/C22H20F3N7O2/c1-12(33)31-7-6-30(20(34)21(31,2)3)16-8-13(4-5-14(16)10-26)17-9-15(22(23,24)25)18-19(27)28-11-29-32(17)18/h4-5,8-9,11H,6-7H2,1-3H3,(H2,27,28,29)
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n/an/a<0.100n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Antisecretory activity evaluated by the inhibition of 14C -AP uptake in isolated rabbit parietal cells stimulated by exogenous histamine


J Med Chem 60: 5193-5208 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00618
BindingDB Entry DOI: 10.7270/Q2WW7KVJ
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM130386
PNG
(US8822510, 4)
Show SMILES Cc1cc(cc(C)c1OC[C@@H](O)CO)-c1noc(CCC2(CCCCC2)c2ccc(F)cc2)n1
Show InChI InChI=1S/C27H33FN2O4/c1-18-14-20(15-19(2)25(18)33-17-23(32)16-31)26-29-24(34-30-26)10-13-27(11-4-3-5-12-27)21-6-8-22(28)9-7-21/h6-9,14-15,23,31-32H,3-5,10-13,16-17H2,1-2H3/t23-/m0/s1
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n/an/a 0.120n/an/an/an/a7.525



Bristol-Myers Squibb Company

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH...


US Patent US8822510 (2014)


BindingDB Entry DOI: 10.7270/Q2H70DHC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM230130
PNG
(US10106559, Example 61 | US9334290, 60 | US9334290...)
Show SMILES Cn1c2c(F)cccc2c(=O)n(-c2cccc(c2Cl)-c2c(F)cc(C(N)=O)c3[nH]c4cc(ccc4c23)C(C)(C)O)c1=O
Show InChI InChI=1S/C31H23ClF2N4O4/c1-31(2,42)14-10-11-15-21(12-14)36-26-18(28(35)39)13-20(34)23(24(15)26)16-6-5-9-22(25(16)32)38-29(40)17-7-4-8-19(33)27(17)37(3)30(38)41/h4-13,36,42H,1-3H3,(H2,35,39)
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n/an/a 0.180n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), ATP...


US Patent US9334290 (2016)


BindingDB Entry DOI: 10.7270/Q2BK1B6S
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM230130
PNG
(US10106559, Example 61 | US9334290, 60 | US9334290...)
Show SMILES Cn1c2c(F)cccc2c(=O)n(-c2cccc(c2Cl)-c2c(F)cc(C(N)=O)c3[nH]c4cc(ccc4c23)C(C)(C)O)c1=O
Show InChI InChI=1S/C31H23ClF2N4O4/c1-31(2,42)14-10-11-15-21(12-14)36-26-18(28(35)39)13-20(34)23(24(15)26)16-6-5-9-22(25(16)32)38-29(40)17-7-4-8-19(33)27(17)37(3)30(38)41/h4-13,36,42H,1-3H3,(H2,35,39)
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n/an/a 0.180n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...


US Patent US10106559 (2018)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2SF2Z7Q
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM230150
PNG
(US9334290, 31)
Show SMILES Cc1c(cccc1-n1c(=O)cc2c(Cl)cccn2c1=O)-c1c(F)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C31H24ClFN4O4/c1-15-17(6-4-8-23(15)37-25(38)14-24-20(32)7-5-11-36(24)30(37)40)26-21(33)13-19(29(34)39)28-27(26)18-10-9-16(31(2,3)41)12-22(18)35-28/h4-14,35,41H,1-3H3,(H2,34,39)
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n/an/a 0.190n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), ATP...


US Patent US9334290 (2016)


BindingDB Entry DOI: 10.7270/Q2BK1B6S
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM230106
PNG
(US10106559, Example 31 | US9334290, 30 | US9850258...)
Show SMILES Cc1c(cccc1-n1c(=O)cc2c(Cl)cccn2c1=O)-c1c(F)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C31H24ClFN4O4/c1-15-17(6-4-8-23(15)37-25(38)14-24-20(32)7-5-11-36(24)30(37)40)26-21(33)13-19(29(34)39)28-27(26)18-10-9-16(31(2,3)41)12-22(18)35-28/h4-14,35,41H,1-3H3,(H2,34,39)
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n/an/a 0.190n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...


US Patent US10106559 (2018)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2SF2Z7Q
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM358735
PNG
(4-acetyl-1-(5-(4-amino-5- (trifluoromethyl)pyrrolo...)
Show SMILES COCc1ccc(cc1N1CCN(C(C)=O)C(C)(C)C1=O)-c1cc(c2c(N)ncnn12)C(F)(F)F
Show InChI InChI=1S/C23H25F3N6O3/c1-13(33)31-8-7-30(21(34)22(31,2)3)17-9-14(5-6-15(17)11-35-4)18-10-16(23(24,25)26)19-20(27)28-12-29-32(18)19/h5-6,9-10,12H,7-8,11H2,1-4H3,(H2,27,28,29)
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n/an/a 0.200n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 μl prepared fr...


US Patent US10214537 (2019)


Article DOI: 10.1021/jm070165j
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM230154
PNG
(US9334290, 41)
Show SMILES Cc1c(cccc1-n1c(=O)cc2c(F)cccn2c1=O)-c1c(F)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C31H24F2N4O4/c1-15-17(6-4-8-23(15)37-25(38)14-24-20(32)7-5-11-36(24)30(37)40)26-21(33)13-19(29(34)39)28-27(26)18-10-9-16(31(2,3)41)12-22(18)35-28/h4-14,35,41H,1-3H3,(H2,34,39)
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n/an/a 0.200n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), ATP...


US Patent US9334290 (2016)


BindingDB Entry DOI: 10.7270/Q2BK1B6S
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM358601
PNG
((S)-4-acetyl-1-(5-(4-amino-5- chloropyrrolo[2,1-f]...)
Show SMILES C[C@H]1CN(C(C)=O)C(C)(C)C(=O)N1c1cc(ccc1F)-c1cc(Cl)c2c(N)ncnn12
Show InChI InChI=1/C21H22ClFN6O2/c1-11-9-27(12(2)30)21(3,4)20(31)28(11)17-7-13(5-6-15(17)23)16-8-14(22)18-19(24)25-10-26-29(16)18/h5-8,10-11H,9H2,1-4H3,(H2,24,25,26)/t11-/s2
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n/an/a 0.200n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 μl prepared fr...


US Patent US10214537 (2019)


Article DOI: 10.1021/jm070165j
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM358604
PNG
((S)-4-acetyl-1-(5-(4-amino-5-(1-((S)- 1,1,1-triflu...)
Show SMILES C[C@H]1CN(C(C)=O)C(C)(C)C(=O)N1c1cc(ccc1F)-c1cc(-c2ccnn2C(C(F)(F)F)C(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1/C27H25F7N8O2/c1-13-11-39(14(2)43)25(3,4)24(44)40(13)20-9-15(5-6-17(20)28)19-10-16(21-22(35)36-12-38-41(19)21)18-7-8-37-42(18)23(26(29,30)31)27(32,33)34/h5-10,12-13,23H,11H2,1-4H3,(H2,35,36,38)/t13-/s2
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n/an/a 0.200n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 μl prepared fr...


US Patent US10214537 (2019)


Article DOI: 10.1021/jm070165j
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM358606
PNG
((S)-4-acetyl-1-(5-(4-amino-5-(1- methyl-1H-pyrazol...)
Show SMILES C[C@H]1CN(C(C)=O)C(C)(C)C(=O)N1c1cc(ccc1F)-c1cc(-c2cnn(C)c2)c2c(N)ncnn12
Show InChI InChI=1/C25H27FN8O2/c1-14-11-32(15(2)35)25(3,4)24(36)33(14)21-8-16(6-7-19(21)26)20-9-18(17-10-29-31(5)12-17)22-23(27)28-13-30-34(20)22/h6-10,12-14H,11H2,1-5H3,(H2,27,28,30)/t14-/s2
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n/an/a 0.200n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 μl prepared fr...


US Patent US10214537 (2019)


Article DOI: 10.1021/jm070165j
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM358608
PNG
(2-(4-acetyl-3-ethyl-3-methyl-2- oxopiperazin-1-yl)...)
Show SMILES CCC1(C)N(CCN(C1=O)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12)C(C)=O
Show InChI InChI=1/C22H22ClN7O2/c1-4-22(3)21(32)28(7-8-29(22)13(2)31)17-9-14(5-6-15(17)11-24)18-10-16(23)19-20(25)26-12-27-30(18)19/h5-6,9-10,12H,4,7-8H2,1-3H3,(H2,25,26,27)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 μl prepared fr...


US Patent US10214537 (2019)


Article DOI: 10.1021/jm070165j
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM358610
PNG
((R)-2-(4-acetyl-3-ethyl-3-methyl-2- oxopiperazin-1...)
Show SMILES CC[C@@]1(C)N(CCN(C1=O)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12)C(C)=O
Show InChI InChI=1/C22H22ClN7O2/c1-4-22(3)21(32)28(7-8-29(22)13(2)31)17-9-14(5-6-15(17)11-24)18-10-16(23)19-20(25)26-12-27-30(18)19/h5-6,9-10,12H,4,7-8H2,1-3H3,(H2,25,26,27)/t22-/s2
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Bristol-Myers Squibb Company

US Patent


Assay Description
The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 μl prepared fr...


US Patent US10214537 (2019)


Article DOI: 10.1021/jm070165j
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM358613
PNG
((S)-2-(4-acetyl-3-ethyl-3-methyl-2- oxopiperazin-1...)
Show SMILES CC[C@]1(C)N(CCN(C1=O)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F)C(C)=O
Show InChI InChI=1/C23H22F3N7O2/c1-4-22(3)21(35)31(7-8-32(22)13(2)34)17-9-14(5-6-15(17)11-27)18-10-16(23(24,25)26)19-20(28)29-12-30-33(18)19/h5-6,9-10,12H,4,7-8H2,1-3H3,(H2,28,29,30)/t22-/s2
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Bristol-Myers Squibb Company

US Patent


Assay Description
The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 μl prepared fr...


US Patent US10214537 (2019)


Article DOI: 10.1021/jm070165j
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM358627
PNG
(4-(4-amino-5-(trifluoromethyl)pyrrolo [2,1-f][1,2,...)
Show SMILES CC1COC(C)(C)C(=O)N1c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F
Show InChI InChI=1/C21H19F3N6O2/c1-11-9-32-20(2,3)19(31)29(11)15-6-12(4-5-13(15)8-25)16-7-14(21(22,23)24)17-18(26)27-10-28-30(16)17/h4-7,10-11H,9H2,1-3H3,(H2,26,27,28)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 μl prepared fr...


US Patent US10214537 (2019)


Article DOI: 10.1021/jm070165j
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM358637
PNG
(4-(4-amino-5-(1-(2,2,2-trifluoroethyl)- 1H-pyrazol...)
Show SMILES C[C@@H]1OC(C)(C)C(=O)N([C@H]1C)c1cc(ccc1C#N)-c1cc(-c2ccnn2CC(F)(F)F)c2c(N)ncnn12
Show InChI InChI=1/C26H25F3N8O2/c1-14-15(2)39-25(3,4)24(38)36(14)20-9-16(5-6-17(20)11-30)21-10-18(22-23(31)32-13-34-37(21)22)19-7-8-33-35(19)12-26(27,28)29/h5-10,13-15H,12H2,1-4H3,(H2,31,32,34)/t14-,15-/s2
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Bristol-Myers Squibb Company

US Patent


Assay Description
The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 μl prepared fr...


US Patent US10214537 (2019)


Article DOI: 10.1021/jm070165j
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM358652
PNG
((R)-4-(4-amino-5-(trifluoromethyl) pyrrolo[2,1-f][...)
Show SMILES C[C@@H]1COC(C)(C)C(=O)N1c1cc(ccc1C(N)=O)-c1cc(c2c(N)ncnn12)C(F)(F)F
Show InChI InChI=1/C21H21F3N6O3/c1-10-8-33-20(2,3)19(32)29(10)15-6-11(4-5-12(15)18(26)31)14-7-13(21(22,23)24)16-17(25)27-9-28-30(14)16/h4-7,9-10H,8H2,1-3H3,(H2,26,31)(H2,25,27,28)/t10-/s2
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Bristol-Myers Squibb Company

US Patent


Assay Description
The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 μl prepared fr...


US Patent US10214537 (2019)


Article DOI: 10.1021/jm070165j
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM358679
PNG
(N-(2-(4-(5-(4-amino-5-chloropyrrolo [2,1-f][1,2,4]...)
Show SMILES CC(=O)NCC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1F)-c1cc(Cl)c2c(N)ncnn12
Show InChI InChI=1S/C22H23ClFN7O3/c1-12(32)26-10-18(33)30-7-6-29(21(34)22(30,2)3)17-8-13(4-5-15(17)24)16-9-14(23)19-20(25)27-11-28-31(16)19/h4-5,8-9,11H,6-7,10H2,1-3H3,(H,26,32)(H2,25,27,28)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 μl prepared fr...


US Patent US10214537 (2019)


Article DOI: 10.1021/jm070165j
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM358684
PNG
(1-(3-(4-amino-5-chloropyrrolo[2,1-f] [1,2,4]triazi...)
Show SMILES CC(C)(O)CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(Cl)c2c(N)ncnn12
Show InChI InChI=1S/C23H27ClN6O3/c1-22(2,33)12-18(31)29-9-8-28(21(32)23(29,3)4)15-7-5-6-14(10-15)17-11-16(24)19-20(25)26-13-27-30(17)19/h5-7,10-11,13,33H,8-9,12H2,1-4H3,(H2,25,26,27)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 μl prepared fr...


US Patent US10214537 (2019)


Article DOI: 10.1021/jm070165j
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM358690
PNG
(N-(2-(4-(5-(4-amino-5- (trifluoromethyl)pyrrolo[2,...)
Show SMILES CC1(C)N(CCN(C1=O)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F)C(=O)CNS(C)(=O)=O
Show InChI InChI=1S/C23H23F3N8O4S/c1-22(2)21(36)32(6-7-33(22)18(35)11-31-39(3,37)38)16-8-13(4-5-14(16)10-27)17-9-15(23(24,25)26)19-20(28)29-12-30-34(17)19/h4-5,8-9,12,31H,6-7,11H2,1-3H3,(H2,28,29,30)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 μl prepared fr...


US Patent US10214537 (2019)


Article DOI: 10.1021/jm070165j
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM358691
PNG
((S)-1-(5-(4-amino-5-chloropyrrolo [2,1-f][1,2,4]tr...)
Show SMILES C[C@H]1CN(C(=O)CS(C)(=O)=O)C(C)(C)C(=O)N1c1cc(ccc1F)-c1cc(Cl)c2c(N)ncnn12
Show InChI InChI=1/C22H24ClFN6O4S/c1-12-9-28(18(31)10-35(4,33)34)22(2,3)21(32)29(12)17-7-13(5-6-15(17)24)16-8-14(23)19-20(25)26-11-27-30(16)19/h5-8,11-12H,9-10H2,1-4H3,(H2,25,26,27)/t12-/s2
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Bristol-Myers Squibb Company

US Patent


Assay Description
The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 μl prepared fr...


US Patent US10214537 (2019)


Article DOI: 10.1021/jm070165j
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM230112
PNG
(US10106559, Example 41 | US9334290, 40 | US9850258...)
Show SMILES Cc1c(cccc1-n1c(=O)cc2c(F)cccn2c1=O)-c1c(F)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C31H24F2N4O4/c1-15-17(6-4-8-23(15)37-25(38)14-24-20(32)7-5-11-36(24)30(37)40)26-21(33)13-19(29(34)39)28-27(26)18-10-9-16(31(2,3)41)12-22(18)35-28/h4-14,35,41H,1-3H3,(H2,34,39)
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Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...


US Patent US10106559 (2018)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2SF2Z7Q
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM358600
PNG
((S)-4-acetyl-1-(5-(4-amino-5- (trifluoromethyl)pyr...)
Show SMILES C[C@H]1CN(C(C)=O)C(C)(C)C(=O)N1c1cc(ccc1F)-c1cc(c2c(N)ncnn12)C(F)(F)F
Show InChI InChI=1/C22H22F4N6O2/c1-11-9-30(12(2)33)21(3,4)20(34)31(11)17-7-13(5-6-15(17)23)16-8-14(22(24,25)26)18-19(27)28-10-29-32(16)18/h5-8,10-11H,9H2,1-4H3,(H2,27,28,29)/t11-/s2
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Bristol-Myers Squibb Company

US Patent


Assay Description
The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 μl prepared fr...


US Patent US10214537 (2019)


Article DOI: 10.1021/jm070165j
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM130392
PNG
(US8822510, 63)
Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(CCC3(CCCCC3)c3ccc(F)cc3)n2)C1
Show InChI InChI=1S/C27H30FN3O3/c28-23-10-8-22(9-11-23)27(13-2-1-3-14-27)15-12-24-29-25(30-34-24)20-6-4-19(5-7-20)16-31-17-21(18-31)26(32)33/h4-11,21H,1-3,12-18H2,(H,32,33)
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n/an/a 0.210n/an/an/an/a7.525



Bristol-Myers Squibb Company

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH...


US Patent US8822510 (2014)


BindingDB Entry DOI: 10.7270/Q2H70DHC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM230106
PNG
(US10106559, Example 31 | US9334290, 30 | US9850258...)
Show SMILES Cc1c(cccc1-n1c(=O)cc2c(Cl)cccn2c1=O)-c1c(F)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C31H24ClFN4O4/c1-15-17(6-4-8-23(15)37-25(38)14-24-20(32)7-5-11-36(24)30(37)40)26-21(33)13-19(29(34)39)28-27(26)18-10-9-16(31(2,3)41)12-22(18)35-28/h4-14,35,41H,1-3H3,(H2,34,39)
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n/an/a 0.220n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), ATP...


US Patent US9334290 (2016)


BindingDB Entry DOI: 10.7270/Q2BK1B6S
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM230106
PNG
(US10106559, Example 31 | US9334290, 30 | US9850258...)
Show SMILES Cc1c(cccc1-n1c(=O)cc2c(Cl)cccn2c1=O)-c1c(F)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C31H24ClFN4O4/c1-15-17(6-4-8-23(15)37-25(38)14-24-20(32)7-5-11-36(24)30(37)40)26-21(33)13-19(29(34)39)28-27(26)18-10-9-16(31(2,3)41)12-22(18)35-28/h4-14,35,41H,1-3H3,(H2,34,39)
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Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...


US Patent US10106559 (2018)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2SF2Z7Q
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM230108
PNG
(US10106559, Example 36 | US9334290, 34 | US9334290...)
Show SMILES Cc1c(cccc1-n1c(=O)cc2c(F)cccn2c1=O)-c1c(Cl)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C31H24ClFN4O4/c1-15-17(6-4-8-23(15)37-25(38)14-24-21(33)7-5-11-36(24)30(37)40)26-20(32)13-19(29(34)39)28-27(26)18-10-9-16(31(2,3)41)12-22(18)35-28/h4-14,35,41H,1-3H3,(H2,34,39)
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Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...


US Patent US10106559 (2018)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2SF2Z7Q
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM230128
PNG
(US10106559, Example 57 | US9334290, 57 | US9850258...)
Show SMILES Cc1c(cccc1-n1c(=O)[nH]c2c(F)cc(F)cc2c1=O)-c1c(Cl)cc(C(N)=O)c2[nH]c3C[C@H](CCc3c12)C(C)(C)O
Show InChI InChI=1/C31H27ClF2N4O4/c1-13-16(5-4-6-23(13)38-29(40)19-10-15(33)11-21(34)26(19)37-30(38)41)24-20(32)12-18(28(35)39)27-25(24)17-8-7-14(31(2,3)42)9-22(17)36-27/h4-6,10-12,14,36,42H,7-9H2,1-3H3,(H2,35,39)(H,37,41)/t14-/s2
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Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), ATP...


US Patent US9334290 (2016)


BindingDB Entry DOI: 10.7270/Q2BK1B6S
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM230108
PNG
(US10106559, Example 36 | US9334290, 34 | US9334290...)
Show SMILES Cc1c(cccc1-n1c(=O)cc2c(F)cccn2c1=O)-c1c(Cl)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C31H24ClFN4O4/c1-15-17(6-4-8-23(15)37-25(38)14-24-21(33)7-5-11-36(24)30(37)40)26-20(32)13-19(29(34)39)28-27(26)18-10-9-16(31(2,3)41)12-22(18)35-28/h4-14,35,41H,1-3H3,(H2,34,39)
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Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), ATP...


US Patent US9334290 (2016)


BindingDB Entry DOI: 10.7270/Q2BK1B6S
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM230128
PNG
(US10106559, Example 57 | US9334290, 57 | US9850258...)
Show SMILES Cc1c(cccc1-n1c(=O)[nH]c2c(F)cc(F)cc2c1=O)-c1c(Cl)cc(C(N)=O)c2[nH]c3C[C@H](CCc3c12)C(C)(C)O
Show InChI InChI=1/C31H27ClF2N4O4/c1-13-16(5-4-6-23(13)38-29(40)19-10-15(33)11-21(34)26(19)37-30(38)41)24-20(32)12-18(28(35)39)27-25(24)17-8-7-14(31(2,3)42)9-22(17)36-27/h4-6,10-12,14,36,42H,7-9H2,1-3H3,(H2,35,39)(H,37,41)/t14-/s2
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Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...


US Patent US10106559 (2018)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2SF2Z7Q
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM230120
PNG
(US10106559, Example 73 | US9334290, 49 | US9334290...)
Show SMILES Cc1c(cccc1-n1c(=O)[nH]c2c(F)cc(F)cc2c1=O)-c1c(F)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C31H23F3N4O4/c1-13-16(5-4-6-23(13)38-29(40)19-10-15(32)11-21(34)26(19)37-30(38)41)24-20(33)12-18(28(35)39)27-25(24)17-8-7-14(31(2,3)42)9-22(17)36-27/h4-12,36,42H,1-3H3,(H2,35,39)(H,37,41)
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Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...


US Patent US10106559 (2018)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2SF2Z7Q
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM230107
PNG
(US10106559, Example 33 | US9334290, 32 | US9850258...)
Show SMILES Cc1c(cccc1-n1c(=O)cc2c(Cl)cccn2c1=O)-c1c(Cl)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C31H24Cl2N4O4/c1-15-17(6-4-8-23(15)37-25(38)14-24-20(32)7-5-11-36(24)30(37)40)26-21(33)13-19(29(34)39)28-27(26)18-10-9-16(31(2,3)41)12-22(18)35-28/h4-14,35,41H,1-3H3,(H2,34,39)
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Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...


US Patent US10106559 (2018)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2SF2Z7Q
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM230120
PNG
(US10106559, Example 73 | US9334290, 49 | US9334290...)
Show SMILES Cc1c(cccc1-n1c(=O)[nH]c2c(F)cc(F)cc2c1=O)-c1c(F)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C31H23F3N4O4/c1-13-16(5-4-6-23(13)38-29(40)19-10-15(32)11-21(34)26(19)37-30(38)41)24-20(33)12-18(28(35)39)27-25(24)17-8-7-14(31(2,3)42)9-22(17)36-27/h4-12,36,42H,1-3H3,(H2,35,39)(H,37,41)
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n/an/a 0.260n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), ATP...


US Patent US9334290 (2016)


BindingDB Entry DOI: 10.7270/Q2BK1B6S
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM230151
PNG
(US9334290, 33)
Show SMILES Cc1c(cccc1-n1c(=O)cc2c(Cl)cccn2c1=O)-c1c(Cl)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C31H24Cl2N4O4/c1-15-17(6-4-8-23(15)37-25(38)14-24-20(32)7-5-11-36(24)30(37)40)26-21(33)13-19(29(34)39)28-27(26)18-10-9-16(31(2,3)41)12-22(18)35-28/h4-14,35,41H,1-3H3,(H2,34,39)
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Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), ATP...


US Patent US9334290 (2016)


BindingDB Entry DOI: 10.7270/Q2BK1B6S
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM230126
PNG
(US10106559, Example 56 | US9334290, 55 | US9334290...)
Show SMILES Cc1c(cccc1-n1c(=O)[nH]c2c(F)cccc2c1=O)-c1c(Cl)cc(C(N)=O)c2[nH]c3C[C@H](CCc3c12)C(C)(C)O
Show InChI InChI=1/C31H28ClFN4O4/c1-14-16(6-5-9-23(14)37-29(39)18-7-4-8-21(33)26(18)36-30(37)40)24-20(32)13-19(28(34)38)27-25(24)17-11-10-15(31(2,3)41)12-22(17)35-27/h4-9,13,15,35,41H,10-12H2,1-3H3,(H2,34,38)(H,36,40)/t15-/s2
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n/an/a 0.260n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), ATP...


US Patent US9334290 (2016)


BindingDB Entry DOI: 10.7270/Q2BK1B6S
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM230126
PNG
(US10106559, Example 56 | US9334290, 55 | US9334290...)
Show SMILES Cc1c(cccc1-n1c(=O)[nH]c2c(F)cccc2c1=O)-c1c(Cl)cc(C(N)=O)c2[nH]c3C[C@H](CCc3c12)C(C)(C)O
Show InChI InChI=1/C31H28ClFN4O4/c1-14-16(6-5-9-23(14)37-29(39)18-7-4-8-21(33)26(18)36-30(37)40)24-20(32)13-19(28(34)38)27-25(24)17-11-10-15(31(2,3)41)12-22(17)35-27/h4-9,13,15,35,41H,10-12H2,1-3H3,(H2,34,38)(H,36,40)/t15-/s2
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n/an/a 0.260n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...


US Patent US10106559 (2018)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2SF2Z7Q
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM230148
PNG
(US9334290, 16)
Show SMILES Cc1c(cccc1-n1c(=O)n(C)c2c(F)cccc2c1=O)-c1c(cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O)C#N
Show InChI InChI=1S/C33H26FN5O4/c1-16-19(7-6-10-25(16)39-31(41)21-8-5-9-23(34)29(21)38(4)32(39)42)26-17(15-35)13-22(30(36)40)28-27(26)20-12-11-18(33(2,3)43)14-24(20)37-28/h5-14,37,43H,1-4H3,(H2,36,40)
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n/an/a 0.270n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), ATP...


US Patent US9334290 (2016)


BindingDB Entry DOI: 10.7270/Q2BK1B6S
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM230093
PNG
(US10106559, Example 16 | US9334290, 15 | US9850258...)
Show SMILES Cc1c(cccc1-n1c(=O)n(C)c2c(F)cccc2c1=O)-c1c(cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O)C#N
Show InChI InChI=1S/C33H26FN5O4/c1-16-19(7-6-10-25(16)39-31(41)21-8-5-9-23(34)29(21)38(4)32(39)42)26-17(15-35)13-22(30(36)40)28-27(26)20-12-11-18(33(2,3)43)14-24(20)37-28/h5-14,37,43H,1-4H3,(H2,36,40)
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n/an/a 0.270n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...


US Patent US10106559 (2018)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2SF2Z7Q
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM230152
PNG
(US9334290, 36)
Show SMILES Cc1c(cccc1-n1c(=O)cc2c(F)cccn2c1=O)-c1c(Cl)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C31H24ClFN4O4/c1-15-17(6-4-8-23(15)37-25(38)14-24-21(33)7-5-11-36(24)30(37)40)26-20(32)13-19(29(34)39)28-27(26)18-10-9-16(31(2,3)41)12-22(18)35-28/h4-14,35,41H,1-3H3,(H2,34,39)
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n/an/a 0.280n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), ATP...


US Patent US9334290 (2016)


BindingDB Entry DOI: 10.7270/Q2BK1B6S
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM230108
PNG
(US10106559, Example 36 | US9334290, 34 | US9334290...)
Show SMILES Cc1c(cccc1-n1c(=O)cc2c(F)cccn2c1=O)-c1c(Cl)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C31H24ClFN4O4/c1-15-17(6-4-8-23(15)37-25(38)14-24-21(33)7-5-11-36(24)30(37)40)26-20(32)13-19(29(34)39)28-27(26)18-10-9-16(31(2,3)41)12-22(18)35-28/h4-14,35,41H,1-3H3,(H2,34,39)
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n/an/a 0.280n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...


US Patent US10106559 (2018)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2SF2Z7Q
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232433
PNG
(CHEMBL4068514 | US10214537, Example 619)
Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Show InChI InChI=1S/C28H32N8O3/c1-18(37)34-12-11-33(27(38)28(34,2)3)21-6-4-5-19(15-21)24-16-22(25-26(29)30-17-32-36(24)25)23-7-10-31-35(23)20-8-13-39-14-9-20/h4-7,10,15-17,20H,8-9,11-14H2,1-3H3,(H2,29,30,32)
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n/an/a 0.300n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PI3Kdelta (unknown origin) using PIP2:PS as substrate incubated for 3 hrs by ADP-Glo assay


Bioorg Med Chem Lett 27: 855-861 (2017)


Article DOI: 10.1016/j.bmcl.2017.01.016
BindingDB Entry DOI: 10.7270/Q2BR8VFH
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM358607
PNG
((S)-4-acetyl-1-(5-(4-amino-5-(1- cyclopropyl-1H-py...)
Show SMILES C[C@H]1CN(C(C)=O)C(C)(C)C(=O)N1c1cc(ccc1F)-c1cc(-c2cnn(c2)C2CC2)c2c(N)ncnn12
Show InChI InChI=1/C27H29FN8O2/c1-15-12-33(16(2)37)27(3,4)26(38)35(15)23-9-17(5-8-21(23)28)22-10-20(24-25(29)30-14-32-36(22)24)18-11-31-34(13-18)19-6-7-19/h5,8-11,13-15,19H,6-7,12H2,1-4H3,(H2,29,30,32)/t15-/s2
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n/an/a 0.300n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 μl prepared fr...


US Patent US10214537 (2019)


Article DOI: 10.1021/jm070165j
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM230122
PNG
(US10106559, Example 51 | US9334290, 51 | US9850258...)
Show SMILES Cc1c(cccc1-n1c(=O)[nH]c2cc(F)ccc2c1=O)-c1c(F)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C31H24F2N4O4/c1-14-17(5-4-6-24(14)37-29(39)19-10-8-16(32)12-23(19)36-30(37)40)25-21(33)13-20(28(34)38)27-26(25)18-9-7-15(31(2,3)41)11-22(18)35-27/h4-13,35,41H,1-3H3,(H2,34,38)(H,36,40)
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n/an/a 0.300n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), ATP...


US Patent US9334290 (2016)


BindingDB Entry DOI: 10.7270/Q2BK1B6S
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM358664
PNG
(N-(3-(4-(5-(4-amino-5-chloropyrrolo [2,1-f][1,2,4]...)
Show SMILES CC(=O)NCCC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12
Show InChI InChI=1S/C24H25ClN8O3/c1-14(34)28-7-6-20(35)32-9-8-31(23(36)24(32,2)3)18-10-15(4-5-16(18)12-26)19-11-17(25)21-22(27)29-13-30-33(19)21/h4-5,10-11,13H,6-9H2,1-3H3,(H,28,34)(H2,27,29,30)
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n/an/a 0.300n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 μl prepared fr...


US Patent US10214537 (2019)


Article DOI: 10.1021/jm070165j
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM230122
PNG
(US10106559, Example 51 | US9334290, 51 | US9850258...)
Show SMILES Cc1c(cccc1-n1c(=O)[nH]c2cc(F)ccc2c1=O)-c1c(F)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C31H24F2N4O4/c1-14-17(5-4-6-24(14)37-29(39)19-10-8-16(32)12-23(19)36-30(37)40)25-21(33)13-20(28(34)38)27-26(25)18-9-7-15(31(2,3)41)11-22(18)35-27/h4-13,35,41H,1-3H3,(H2,34,38)(H,36,40)
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n/an/a 0.300n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...


US Patent US10106559 (2018)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2SF2Z7Q
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM358609
PNG
(2-(4-acetyl-3-ethyl-3-methyl-2- oxopiperazin-1-yl)...)
Show SMILES CCC1(C)N(CCN(C1=O)c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F)C(C)=O
Show InChI InChI=1/C23H22F3N7O2/c1-4-22(3)21(35)31(7-8-32(22)13(2)34)17-9-14(5-6-15(17)11-27)18-10-16(23(24,25)26)19-20(28)29-12-30-33(18)19/h5-6,9-10,12H,4,7-8H2,1-3H3,(H2,28,29,30)
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Bristol-Myers Squibb Company

US Patent


Assay Description
The ADP-Glo format PI3K assays were performed in Proxiplate 384-well plates (Perkin Elmer #6008280). The final assay volume was 2 μl prepared fr...


US Patent US10214537 (2019)


Article DOI: 10.1021/jm070165j
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM230111
PNG
(US10106559, Example 39 | US9334290, 38 | US9850258...)
Show SMILES Cc1c(cccc1-n1c(=O)cc2sccn2c1=O)-c1c(Cl)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C29H23ClN4O4S/c1-14-16(5-4-6-21(14)34-22(35)13-23-33(28(34)37)9-10-39-23)24-19(30)12-18(27(31)36)26-25(24)17-8-7-15(29(2,3)38)11-20(17)32-26/h4-13,32,38H,1-3H3,(H2,31,36)
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n/an/a 0.310n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), A...


US Patent US10106559 (2018)


Article DOI: 10.1021/jm061182w
BindingDB Entry DOI: 10.7270/Q2SF2Z7Q
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM230153
PNG
(US9334290, 39)
Show SMILES Cc1c(cccc1-n1c(=O)cc2sccn2c1=O)-c1c(Cl)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C29H23ClN4O4S/c1-14-16(5-4-6-21(14)34-22(35)13-23-33(28(34)37)9-10-39-23)24-19(30)12-18(27(31)36)26-25(24)17-8-7-15(29(2,3)38)11-20(17)32-26/h4-13,32,38H,1-3H3,(H2,31,36)
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n/an/a 0.310n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), ATP...


US Patent US9334290 (2016)


BindingDB Entry DOI: 10.7270/Q2BK1B6S
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM130390
PNG
(US8822510, 18)
Show SMILES OC(=O)C1CN(Cc2ccc(cc2)-c2noc(COCC3(CCCCC3)c3ccc(F)cc3)n2)C1
Show InChI InChI=1S/C27H30FN3O4/c28-23-10-8-22(9-11-23)27(12-2-1-3-13-27)18-34-17-24-29-25(30-35-24)20-6-4-19(5-7-20)14-31-15-21(16-31)26(32)33/h4-11,21H,1-3,12-18H2,(H,32,33)
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n/an/a 0.310n/an/an/an/a7.525



Bristol-Myers Squibb Company

US Patent


Assay Description
Membranes were prepared from CHO cells expressing human S1P1. Cells pellets (1x 108 cells/pellet) were suspended in buffer containing 20 mM HEPES, pH...


US Patent US8822510 (2014)


BindingDB Entry DOI: 10.7270/Q2H70DHC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM230120
PNG
(US10106559, Example 73 | US9334290, 49 | US9334290...)
Show SMILES Cc1c(cccc1-n1c(=O)[nH]c2c(F)cc(F)cc2c1=O)-c1c(F)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O
Show InChI InChI=1S/C31H23F3N4O4/c1-13-16(5-4-6-23(13)38-29(40)19-10-15(32)11-21(34)26(19)37-30(38)41)24-20(33)12-18(28(35)39)27-25(24)17-8-7-14(31(2,3)42)9-22(17)36-27/h4-12,36,42H,1-3H3,(H2,35,39)(H,37,41)
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n/an/a 0.320n/an/an/an/a7.425



Bristol-Myers Squibb Company

US Patent


Assay Description
To V-bottom 384-well plates were added test compounds, human recombinant Btk (1 nM, Invitrogen Corporation), fluoresceinated peptide (1.5 μM), ATP...


US Patent US9334290 (2016)


BindingDB Entry DOI: 10.7270/Q2BK1B6S
More data for this
Ligand-Target Pair
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