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Compile Data Set for Download or QSAR

Found 2425 hits with Last Name = 'bhide' and Initial = 'rs'   
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
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50184807
PNG
((R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-me...)
Show SMILES C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
Show InChI InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3/t11-/m1/s1
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26n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against VEGFR2


J Med Chem 49: 2143-6 (2006)


Article DOI: 10.1021/jm051106d
BindingDB Entry DOI: 10.7270/Q2WW7H7N
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50184807
PNG
((R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-me...)
Show SMILES C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
Show InChI InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3/t11-/m1/s1
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26n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against VEGFR2


J Med Chem 49: 2143-6 (2006)


Article DOI: 10.1021/jm051106d
BindingDB Entry DOI: 10.7270/Q2WW7H7N
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Mus musculus)
BDBM50184807
PNG
((R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-me...)
Show SMILES C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
Show InChI InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3/t11-/m1/s1
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28n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Flk1


J Med Chem 49: 2143-6 (2006)


Article DOI: 10.1021/jm051106d
BindingDB Entry DOI: 10.7270/Q2WW7H7N
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50184807
PNG
((R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-me...)
Show SMILES C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
Show InChI InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3/t11-/m1/s1
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60n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against VEGFR1


J Med Chem 49: 2143-6 (2006)


Article DOI: 10.1021/jm051106d
BindingDB Entry DOI: 10.7270/Q2WW7H7N
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50168389
PNG
(CHEMBL195218 | [4-(2,4-Difluoro-5-methoxycarbamoyl...)
Show SMILES CONC(=O)c1cc(Nc2ncnn3cc(NC(=O)OCCCS(C)(=O)=O)c(C(C)C)c23)c(F)cc1F
Show InChI InChI=1S/C22H26F2N6O6S/c1-12(2)18-17(28-22(32)36-6-5-7-37(4,33)34)10-30-19(18)20(25-11-26-30)27-16-8-13(21(31)29-35-3)14(23)9-15(16)24/h8-12H,5-7H2,1-4H3,(H,28,32)(H,29,31)(H,25,26,27)
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n/an/a 0.0620n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human vascular endothelial growth factor receptor 2 (VEGFR-2)


J Med Chem 48: 3991-4008 (2005)


Article DOI: 10.1021/jm0501275
BindingDB Entry DOI: 10.7270/Q2KP81QN
More data for this
Ligand-Target Pair
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
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=1S/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-/m1/s1
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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=1S/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))
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=1S/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-/m0/s1
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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=1S/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))
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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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=1S/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-/m0/s1
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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))
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=1S/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-/m0/s1
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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=1S/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-/m0/s1
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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))
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=1S/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-/m0/s1
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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=1S/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-/m0/s1
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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=1S/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-/m1/s1
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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=1S/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-/m0/s1
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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
Protein Farnesyltransferase (PFT)


(Homo sapiens (Human))
BDBM13320
PNG
(1-Methyl-1H-imidazole-4-sulfonic Acid [6-Cyano-1-(...)
Show SMILES CC(=C)CN(C1CN(Cc2cncn2C)c2ccc(cc2C1)C#N)S(=O)(=O)c1cn(C)cn1
Show InChI InChI=1S/C23H27N7O2S/c1-17(2)11-30(33(31,32)23-14-27(3)16-26-23)20-8-19-7-18(9-24)5-6-22(19)29(12-20)13-21-10-25-15-28(21)4/h5-7,10,14-16,20H,1,8,11-13H2,2-4H3
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human farnesyltransferase


Bioorg Med Chem Lett 15: 1895-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.004
BindingDB Entry DOI: 10.7270/Q2RB75CJ
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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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))
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=1S/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
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=1S/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-/m0/s1
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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))
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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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
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50048982
PNG
((R)-2-({(R)-2-[(R)-2-((S)-2-Amino-3-mercapto-propi...)
Show SMILES CSCC[C@@H](NC(=O)[C@H]1Cc2ccccc2CN1C[C@H](NC(=O)[C@H](N)CS)C(C)C)C(O)=O
Show InChI InChI=1S/C23H36N4O4S2/c1-14(2)19(26-21(28)17(24)13-32)12-27-11-16-7-5-4-6-15(16)10-20(27)22(29)25-18(23(30)31)8-9-33-3/h4-7,14,17-20,32H,8-13,24H2,1-3H3,(H,25,29)(H,26,28)(H,30,31)/t17-,18-,19+,20-/m1/s1
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Farnesyltransferase


J Med Chem 39: 224-36 (1996)


Article DOI: 10.1021/jm950642a
BindingDB Entry DOI: 10.7270/Q2610ZDS
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM358694
PNG
(N-(4-(4-(5-(4-amino-5-chloropyrrolo [2,1-f][1,2,4]...)
Show SMILES CC1(C)N(CCN(C1=O)c1cc(ccc1F)-c1cc(Cl)c2c(N)ncnn12)C(=O)CNS(C)(=O)=O
Show InChI InChI=1S/C21H23ClFN7O4S/c1-21(2)20(32)28(6-7-29(21)17(31)10-27-35(3,33)34)16-8-12(4-5-14(16)23)15-9-13(22)18-19(24)25-11-26-30(15)18/h4-5,8-9,11,27H,6-7,10H2,1-3H3,(H2,24,25,26)
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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))
BDBM358687
PNG
(4-(4-amino-5-(trifluoromethyl)pyrrolo [2,1-f][1,2,...)
Show SMILES CC1(C)CN(CC(=O)N2CCN(C(=O)C2(C)C)c2cc(ccc2C#N)-c2cc(c3c(N)ncnn23)C(F)(F)F)C(=O)C1
Show InChI InChI=1S/C28H29F3N8O3/c1-26(2)11-21(40)36(14-26)13-22(41)38-8-7-37(25(42)27(38,3)4)19-9-16(5-6-17(19)12-32)20-10-18(28(29,30)31)23-24(33)34-15-35-39(20)23/h5-6,9-10,15H,7-8,11,13-14H2,1-4H3,(H2,33,34,35)
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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))
BDBM358027
PNG
(4-(3-(3-(4-amino-5-(1-(tetrahydro-2H- pyran-4-yl)-...)
Show SMILES Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1cccc(c1)C1(COC1)C1CCS(=O)(=O)CC1
Show InChI InChI=1S/C28H32N6O4S/c29-27-26-23(24-4-9-31-33(24)22-5-10-37-11-6-22)15-25(34(26)32-18-30-27)19-2-1-3-21(14-19)28(16-38-17-28)20-7-12-39(35,36)13-8-20/h1-4,9,14-15,18,20,22H,5-8,10-13,16-17H2,(H2,29,30,32)
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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))
BDBM358605
PNG
((S)-7-(3-(4-acetyl-3,3,6-trimethyl-2- oxopiperazin...)
Show SMILES C[C@H]1CN(C(C)=O)C(C)(C)C(=O)N1c1cc(ccc1F)-c1cc(C#N)c2c(N)ncnn12
Show InChI InChI=1S/C22H22FN7O2/c1-12-10-28(13(2)31)22(3,4)21(32)29(12)18-7-14(5-6-16(18)23)17-8-15(9-24)19-20(25)26-11-27-30(17)19/h5-8,11-12H,10H2,1-4H3,(H2,25,26,27)/t12-/m0/s1
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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))
BDBM358653
PNG
((S)-4-(4-amino-5-chloropyrrolo[2,1-f] [1,2,4]triaz...)
Show SMILES CC[C@H]1COC(C)(C)C(=O)N1c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12
Show InChI InChI=1S/C21H21ClN6O2/c1-4-14-10-30-21(2,3)20(29)27(14)16-7-12(5-6-13(16)9-23)17-8-15(22)18-19(24)25-11-26-28(17)18/h5-8,11,14H,4,10H2,1-3H3,(H2,24,25,26)/t14-/m0/s1
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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))
BDBM358669
PNG
(1-(3-(4-amino-5-chloropyrrolo[2,1-f] [1,2,4]triazi...)
Show SMILES CC1(C)N(CCN(C1=O)c1cccc(c1)-c1cc(Cl)c2c(N)ncnn12)C(=O)CN1CCCC1=O
Show InChI InChI=1S/C24H26ClN7O3/c1-24(2)23(35)30(9-10-31(24)20(34)13-29-8-4-7-19(29)33)16-6-3-5-15(11-16)18-12-17(25)21-22(26)27-14-28-32(18)21/h3,5-6,11-12,14H,4,7-10,13H2,1-2H3,(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))
BDBM358159
PNG
(1-((cis)-4-(3-(4-amino-5-(1-(tetrahydro-2H-pyran-4...)
Show SMILES C[C@H]1CN(C[C@@H](C)N1c1cc(C)cc(c1)-c1cc(-c2cnnn2C2CCOCC2)c2c(N)ncnn12)C(C)=O
Show InChI InChI=1S/C28H35N9O2/c1-17-9-21(11-23(10-17)35-18(2)14-34(20(4)38)15-19(35)3)25-12-24(27-28(29)30-16-32-37(25)27)26-13-31-33-36(26)22-5-7-39-8-6-22/h9-13,16,18-19,22H,5-8,14-15H2,1-4H3,(H2,29,30,32)/t18-,19+
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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))
BDBM358363
PNG
(4-acetyl-1-(5-{4-amino-5-[1-(propane- 2-sulfonyl)-...)
Show SMILES CC(C)S(=O)(=O)n1cc(cn1)-c1cc(-c2ccc(F)c(c2)N2CCN(C(C)=O)C(C)(C)C2=O)n2ncnc(N)c12
Show InChI InChI=1S/C26H29FN8O4S/c1-15(2)40(38,39)34-13-18(12-30-34)19-11-21(35-23(19)24(28)29-14-31-35)17-6-7-20(27)22(10-17)32-8-9-33(16(3)36)26(4,5)25(32)37/h6-7,10-15H,8-9H2,1-5H3,(H2,28,29,31)
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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))
BDBM284822
PNG
(1-((cis)-4-(5-(4-amino-5-(1-(tetrahydro-2H-pyran-4...)
Show SMILES C[C@H]1CN(C[C@@H](C)N1c1cncc(c1)-c1cc(-c2cnnn2C2CCOCC2)c2c(N)ncnn12)C(C)=O
Show InChI InChI=1S/C26H32N10O2/c1-16-13-33(18(3)37)14-17(2)34(16)21-8-19(10-28-11-21)23-9-22(25-26(27)29-15-31-36(23)25)24-12-30-32-35(24)20-4-6-38-7-5-20/h8-12,15-17,20H,4-7,13-14H2,1-3H3,(H2,27,29,31)/t16-,17+
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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 US10023576 (2018)


BindingDB Entry DOI: 10.7270/Q2FQ9ZND
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM358666
PNG
(4-(4-amino-5-chloropyrrolo[2,1-f] [1,2,4]triazin-7...)
Show SMILES CC1(C)N(CCN(C1=O)c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12)C(=O)CN1CCCCS1(=O)=O
Show InChI InChI=1S/C25H27ClN8O4S/c1-25(2)24(36)32(8-9-33(25)21(35)14-31-7-3-4-10-39(31,37)38)19-11-16(5-6-17(19)13-27)20-12-18(26)22-23(28)29-15-30-34(20)22/h5-6,11-12,15H,3-4,7-10,14H2,1-2H3,(H2,28,29,30)
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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))
BDBM358188
PNG
(1-(4-(3-(4-amino-5-(1-(tetrahydro-2H- pyran-4-yl)-...)
Show SMILES CC(=O)N1CCN(C(C1)c1cccnc1)c1cccc(c1)-c1cc(-c2cnnn2C2CCOCC2)c2c(N)ncnn12
Show InChI InChI=1S/C30H32N10O2/c1-20(41)37-10-11-38(28(18-37)22-5-3-9-32-16-22)24-6-2-4-21(14-24)26-15-25(29-30(31)33-19-35-40(26)29)27-17-34-36-39(27)23-7-12-42-13-8-23/h2-6,9,14-17,19,23,28H,7-8,10-13,18H2,1H3,(H2,31,33,35)
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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))
BDBM358657
PNG
((S)-4-(4-amino-5-(trifluoromethyl) pyrrolo[2,1-f][...)
Show SMILES CC[C@H]1COC(C)(C)C(=O)N1c1cc(ccc1C#N)-c1cc(c2c(N)ncnn12)C(F)(F)F
Show InChI InChI=1S/C22H21F3N6O2/c1-4-14-10-33-21(2,3)20(32)30(14)16-7-12(5-6-13(16)9-26)17-8-15(22(23,24)25)18-19(27)28-11-29-31(17)18/h5-8,11,14H,4,10H2,1-3H3,(H2,27,28,29)/t14-/m0/s1
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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
Protein Farnesyltransferase (PFT) Chain B


(Homo sapiens (Human))
BDBM50048970
PNG
((R)-2-({(S)-2-[(S)-2-((R)-2-Amino-3-mercapto-propy...)
Show SMILES CC(C)(C)[C@H](NC[C@@H](N)CS)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@H](CCS(C)(=O)=O)C(O)=O
Show InChI InChI=1S/C24H38N4O6S2/c1-24(2,3)20(26-12-17(25)14-35)22(30)28-13-16-8-6-5-7-15(16)11-19(28)21(29)27-18(23(31)32)9-10-36(4,33)34/h5-8,17-20,26,35H,9-14,25H2,1-4H3,(H,27,29)(H,31,32)/t17-,18-,19+,20-/m1/s1
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Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Farnesyltransferase


J Med Chem 39: 224-36 (1996)


Article DOI: 10.1021/jm950642a
BindingDB Entry DOI: 10.7270/Q2610ZDS
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50232438
PNG
(CHEMBL4100063 | US10214537, Example 256)
Show SMILES CC(=O)N1CCN(C(C1)c1cccnc1)c1cccc(c1)-c1cc(-c2ccnn2C2CCOCC2)c2c(N)ncnn12
Show InChI InChI=1S/C31H33N9O2/c1-21(41)37-12-13-38(29(19-37)23-5-3-10-33-18-23)25-6-2-4-22(16-25)28-17-26(30-31(32)34-20-36-40(28)30)27-7-11-35-39(27)24-8-14-42-15-9-24/h2-7,10-11,16-18,20,24,29H,8-9,12-15,19H2,1H3,(H2,32,34,36)
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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
Interleukin-1 receptor-associated kinase 4


(Homo sapiens (Human))
BDBM210188
PNG
(US9546153, ex. 308)
Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncsc3n2)cc1NC1CC1
Show InChI InChI=1S/C20H23FN6O2S/c1-20(2,29)15(21)9-23-18(28)12-8-22-17(7-14(12)25-11-3-4-11)26-16-6-5-13-19(27-16)30-10-24-13/h5-8,10-11,15,29H,3-4,9H2,1-2H3,(H,23,28)(H2,22,25,26,27)/t15-/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
The assays were performed in U-bottom 384-well plates. The final assay volume was 30 μL prepared from 15 μL additions of enzyme and substra...


US Patent US9546153 (2017)


BindingDB Entry DOI: 10.7270/Q28C9Z71
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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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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM358714
PNG
(2-(4-acetyl-3,3-dimethyl-2- oxopiperazin-1-yl)-4-(...)
Show SMILES CC(=O)N1CCN(C(=O)C1(C)C)c1cc(ccc1C(=O)NCC#N)-c1cc(c2c(N)ncnn12)C(F)(F)F
Show InChI InChI=1S/C24H23F3N8O3/c1-13(36)34-9-8-33(22(38)23(34,2)3)18-10-14(4-5-15(18)21(37)30-7-6-28)17-11-16(24(25,26)27)19-20(29)31-12-32-35(17)19/h4-5,10-12H,7-9H2,1-3H3,(H,30,37)(H2,29,31,32)
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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))
BDBM358072
PNG
(((2S,4R)-2-(3-(4-Amino-5-(1-(tetrahydro-2H-pyran-4...)
Show SMILES Nc1ncnn2c(cc(-c3ccnn3C3CCOCC3)c12)-c1cccc(c1)[C@@H]1C[C@@H](O)CN1C(=O)C1CC1
Show InChI InChI=1S/C28H31N7O3/c29-27-26-22(23-6-9-31-34(23)20-7-10-38-11-8-20)14-25(35(26)32-16-30-27)19-3-1-2-18(12-19)24-13-21(36)15-33(24)28(37)17-4-5-17/h1-3,6,9,12,14,16-17,20-21,24,36H,4-5,7-8,10-11,13,15H2,(H2,29,30,32)/t21-,24+/m1/s1
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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))
BDBM358739
PNG
((S)-4-acetyl-1-(5-(4-amino-5- chloropyrrolo[2,1-f]...)
Show SMILES CC[C@H](O)c1ccc(cc1N1CCN(C(C)=O)C(C)(C)C1=O)-c1cc(Cl)c2c(N)ncnn12
Show InChI InChI=1S/C23H27ClN6O3/c1-5-19(32)15-7-6-14(17-11-16(24)20-21(25)26-12-27-30(17)20)10-18(15)28-8-9-29(13(2)31)23(3,4)22(28)33/h6-7,10-12,19,32H,5,8-9H2,1-4H3,(H2,25,26,27)/t19-/m0/s1
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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))
BDBM358674
PNG
(N-(3-(4-(5-(4-amino-5- (trifluoromethyl)pyrrolo[2,...)
Show SMILES CC1(C)N(CCN(C1=O)c1cc(ccc1F)-c1cc(c2c(N)ncnn12)C(F)(F)F)C(=O)CCNS(C)(=O)=O
Show InChI InChI=1S/C23H25F4N7O4S/c1-22(2)21(36)32(8-9-33(22)18(35)6-7-31-39(3,37)38)17-10-13(4-5-15(17)24)16-11-14(23(25,26)27)19-20(28)29-12-30-34(16)19/h4-5,10-12,31H,6-9H2,1-3H3,(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))
BDBM358676
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(ccc1F)-c1cc(Cl)c2c(N)ncnn12
Show InChI InChI=1S/C23H25ClFN7O3/c1-13(33)27-7-6-19(34)31-9-8-30(22(35)23(31,2)3)18-10-14(4-5-16(18)25)17-11-15(24)20-21(26)28-12-29-32(17)20/h4-5,10-12H,6-9H2,1-3H3,(H,27,33)(H2,26,28,29)
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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))
BDBM358685
PNG
((S)-4-(4-amino-5-chloropyrrolo[2,1-f] [1,2,4]triaz...)
Show SMILES C[C@H]1CN(C(=O)CS(C)(=O)=O)C(C)(C)C(=O)N1c1cc(ccc1C#N)-c1cc(Cl)c2c(N)ncnn12
Show InChI InChI=1S/C23H24ClN7O4S/c1-13-10-29(19(32)11-36(4,34)35)23(2,3)22(33)30(13)17-7-14(5-6-15(17)9-25)18-8-16(24)20-21(26)27-12-28-31(18)20/h5-8,12-13H,10-11H2,1-4H3,(H2,26,27,28)/t13-/m0/s1
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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))
BDBM358663
PNG
(3-(2-(4-(3-(4-amino-5-chloropyrrolo [2,1-f][1,2,4]...)
Show SMILES CC1(C)N(CCN(C1=O)c1cccc(c1)-c1cc(Cl)c2c(N)ncnn12)C(=O)CN1CCOC1=O
Show InChI InChI=1S/C23H24ClN7O4/c1-23(2)21(33)29(6-7-30(23)18(32)12-28-8-9-35-22(28)34)15-5-3-4-14(10-15)17-11-16(24)19-20(25)26-13-27-31(17)19/h3-5,10-11,13H,6-9,12H2,1-2H3,(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
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