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Compile Data Set for Download or QSAR

Found 3001 hits with Last Name = 'rommel' and Initial = 'c'   
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))
BDBM50323732
PNG
(3-(2-amino-1,3-benzothiazol-6-yl)-1-{[2-(4-methylp...)
Show SMILES CN1CCN(CC1)c1nc2ccccc2cc1Cn1nc(-c2ccc3nc(N)sc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C27H26N10S/c1-35-8-10-36(11-9-35)25-18(12-16-4-2-3-5-19(16)32-25)14-37-26-22(24(28)30-15-31-26)23(34-37)17-6-7-20-21(13-17)38-27(29)33-20/h2-7,12-13,15H,8-11,14H2,1H3,(H2,29,33)(H2,28,30,31)
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n/an/a 0.5n/an/an/an/an/an/a



Medical Research Council-Laboratory of Molecular Biology

Curated by ChEMBL


Assay Description
Inhibition of p110delta


Nat Chem Biol 6: 117-24 (2010)


Article DOI: 10.1038/nchembio.293
BindingDB Entry DOI: 10.7270/Q2KP82CK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50323728
PNG
(2-((4-amino-3-(3-fluoro-5-hydroxyphenyl)-1H-pyrazo...)
Show SMILES Cc1ccccc1-n1c(Cn2nc(-c3cc(O)cc(F)c3)c3c(N)ncnc23)nc2cccc(C)c2c1=O
Show InChI InChI=1S/C28H22FN7O2/c1-15-6-3-4-9-21(15)36-22(33-20-8-5-7-16(2)23(20)28(36)38)13-35-27-24(26(30)31-14-32-27)25(34-35)17-10-18(29)12-19(37)11-17/h3-12,14,37H,13H2,1-2H3,(H2,30,31,32)
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n/an/a 0.700n/an/an/an/an/an/a



Medical Research Council-Laboratory of Molecular Biology

Curated by ChEMBL


Assay Description
Inhibition of p110delta


Nat Chem Biol 6: 117-24 (2010)


Article DOI: 10.1038/nchembio.293
BindingDB Entry DOI: 10.7270/Q2KP82CK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM15234
PNG
((1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-...)
Show SMILES COC[C@H]1OC(=O)c2coc3c2[C@@]1(C)C1=C([C@@H]2CCC(=O)[C@@]2(C)C[C@H]1OC(C)=O)C3=O
Show InChI InChI=1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kalpha


J Med Chem 49: 3857-71 (2006)


Article DOI: 10.1021/jm0601598
BindingDB Entry DOI: 10.7270/Q2DZ07X0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50323731
PNG
(CHEMBL1213117 | N-(6-(4-amino-1-((2-(4-methylpiper...)
Show SMILES CN1CCN(CC1)c1nc2ccccc2cc1Cn1nc(-c2ccc3nc(NC(C)=O)sc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C29H28N10OS/c1-17(40)33-29-35-22-8-7-19(14-23(22)41-29)25-24-26(30)31-16-32-28(24)39(36-25)15-20-13-18-5-3-4-6-21(18)34-27(20)38-11-9-37(2)10-12-38/h3-8,13-14,16H,9-12,15H2,1-2H3,(H2,30,31,32)(H,33,35,40)
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n/an/a 1n/an/an/an/an/an/a



Medical Research Council-Laboratory of Molecular Biology

Curated by ChEMBL


Assay Description
Inhibition of p110delta


Nat Chem Biol 6: 117-24 (2010)


Article DOI: 10.1038/nchembio.293
BindingDB Entry DOI: 10.7270/Q2KP82CK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM25028
PNG
(4-[2-(1H-indazol-4-yl)-6-[(4-methanesulfonylpipera...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)
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n/an/a 3n/an/an/an/an/an/a



Medical Research Council-Laboratory of Molecular Biology

Curated by ChEMBL


Assay Description
Inhibition of p110delta


Nat Chem Biol 6: 117-24 (2010)


Article DOI: 10.1038/nchembio.293
BindingDB Entry DOI: 10.7270/Q2KP82CK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM25028
PNG
(4-[2-(1H-indazol-4-yl)-6-[(4-methanesulfonylpipera...)
Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
Show InChI InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)
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n/an/a 3n/an/an/an/an/an/a



Medical Research Council-Laboratory of Molecular Biology

Curated by ChEMBL


Assay Description
Inhibition of p110alpha


Nat Chem Biol 6: 117-24 (2010)


Article DOI: 10.1038/nchembio.293
BindingDB Entry DOI: 10.7270/Q2KP82CK
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50323732
PNG
(3-(2-amino-1,3-benzothiazol-6-yl)-1-{[2-(4-methylp...)
Show SMILES CN1CCN(CC1)c1nc2ccccc2cc1Cn1nc(-c2ccc3nc(N)sc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C27H26N10S/c1-35-8-10-36(11-9-35)25-18(12-16-4-2-3-5-19(16)32-25)14-37-26-22(24(28)30-15-31-26)23(34-37)17-6-7-20-21(13-17)38-27(29)33-20/h2-7,12-13,15H,8-11,14H2,1H3,(H2,29,33)(H2,28,30,31)
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n/an/a 4n/an/an/an/an/an/a



Medical Research Council-Laboratory of Molecular Biology

Curated by ChEMBL


Assay Description
Inhibition of p110gamma


Nat Chem Biol 6: 117-24 (2010)


Article DOI: 10.1038/nchembio.293
BindingDB Entry DOI: 10.7270/Q2KP82CK
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50315213
PNG
(2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-t...)
Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C19H21F2N7O2/c20-15(21)16-22-13-3-1-2-4-14(13)28(16)19-24-17(26-5-9-29-10-6-26)23-18(25-19)27-7-11-30-12-8-27/h1-4,15H,5-12H2
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n/an/a 4.60n/an/an/an/an/an/a



Medical Research Council-Laboratory of Molecular Biology

Curated by ChEMBL


Assay Description
Inhibition of p110delta


Nat Chem Biol 6: 117-24 (2010)


Article DOI: 10.1038/nchembio.293
BindingDB Entry DOI: 10.7270/Q2KP82CK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM315574
PNG
(US10172858, Table 2.70 | US9828378, # 70)
Show SMILES CC(=O)N1CCC(CC1)n1nc(-c2cc3cc(O)cc(Cl)c3[nH]2)c2c(N)ncnc12
Show InChI InChI=1S/C20H20ClN7O2/c1-10(29)27-4-2-12(3-5-27)28-20-16(19(22)23-9-24-20)18(26-28)15-7-11-6-13(30)8-14(21)17(11)25-15/h6-9,12,25,30H,2-5H2,1H3,(H2,22,23,24)
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n/an/a<5n/an/an/an/an/an/a



Intellikine LLC

US Patent


Assay Description
This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ...


US Patent US10172858 (2019)


Article DOI: 10.1021/jm800670r
BindingDB Entry DOI: 10.7270/Q2736T01
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM315573
PNG
(US10172858, Table 2.69 | US9828378, # 69)
Show SMILES CC(=O)N1CCC(CC1)n1nc(-c2cc3c(Cl)ccc(O)c3[nH]2)c2c(N)ncnc12
Show InChI InChI=1S/C20H20ClN7O2/c1-10(29)27-6-4-11(5-7-27)28-20-16(19(22)23-9-24-20)18(26-28)14-8-12-13(21)2-3-15(30)17(12)25-14/h2-3,8-9,11,25,30H,4-7H2,1H3,(H2,22,23,24)
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n/an/a<5n/an/an/an/an/an/a



Intellikine LLC

US Patent


Assay Description
This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ...


US Patent US10172858 (2019)


Article DOI: 10.1021/jm800670r
BindingDB Entry DOI: 10.7270/Q2736T01
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM315572
PNG
(US10172858, Table 2.68 | US9828378, # 68)
Show SMILES Nc1ncnc2n(nc(-c3cc4cc(O)cc(Cl)c4[nH]3)c12)C1CCOCC1
Show InChI InChI=1S/C18H17ClN6O2/c19-12-7-11(26)5-9-6-13(23-15(9)12)16-14-17(20)21-8-22-18(14)25(24-16)10-1-3-27-4-2-10/h5-8,10,23,26H,1-4H2,(H2,20,21,22)
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n/an/a<5n/an/an/an/an/an/a



Intellikine LLC

US Patent


Assay Description
This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ...


US Patent US10172858 (2019)


Article DOI: 10.1021/jm800670r
BindingDB Entry DOI: 10.7270/Q2736T01
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM315565
PNG
(US10172858, Table 2.62 | US9828378, # 62)
Show SMILES Nc1ncnc2n(nc(-c3cc4cccc(O)c4[nH]3)c12)C1CCOCC1
Show InChI InChI=1S/C18H18N6O2/c19-17-14-16(12-8-10-2-1-3-13(25)15(10)22-12)23-24(18(14)21-9-20-17)11-4-6-26-7-5-11/h1-3,8-9,11,22,25H,4-7H2,(H2,19,20,21)
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n/an/a<5n/an/an/an/an/an/a



Intellikine LLC

US Patent


Assay Description
This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ...


US Patent US10172858 (2019)


Article DOI: 10.1021/jm800670r
BindingDB Entry DOI: 10.7270/Q2736T01
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM315566
PNG
(US10172858, Table 2.63 | US9828378, # 63)
Show SMILES COc1cccc2cc([nH]c12)-c1nn(C2CCOCC2)c2ncnc(N)c12
Show InChI InChI=1S/C19H20N6O2/c1-26-14-4-2-3-11-9-13(23-16(11)14)17-15-18(20)21-10-22-19(15)25(24-17)12-5-7-27-8-6-12/h2-4,9-10,12,23H,5-8H2,1H3,(H2,20,21,22)
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n/an/a<5n/an/an/an/an/an/a



Intellikine LLC

US Patent


Assay Description
This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ...


US Patent US10172858 (2019)


Article DOI: 10.1021/jm800670r
BindingDB Entry DOI: 10.7270/Q2736T01
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM315547
PNG
(US10172858, Table 2.42 | US9828378, # 42)
Show SMILES Nc1ncnc2n(nc(-c3cc4cc(O)ccc4[nH]3)c12)C1CCOCC1
Show InChI InChI=1S/C18H18N6O2/c19-17-15-16(14-8-10-7-12(25)1-2-13(10)22-14)23-24(18(15)21-9-20-17)11-3-5-26-6-4-11/h1-2,7-9,11,22,25H,3-6H2,(H2,19,20,21)
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n/an/a<5n/an/an/an/an/an/a



Intellikine LLC

US Patent


Assay Description
This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ...


US Patent US10172858 (2019)


Article DOI: 10.1021/jm800670r
BindingDB Entry DOI: 10.7270/Q2736T01
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM315526
PNG
(US10172858, Table 2.22 | US9828378, # 22)
Show SMILES CC(C)n1nc(-c2cc3c(Cl)c(O)ccc3[nH]2)c2c(N)ncnc12
Show InChI InChI=1S/C16H15ClN6O/c1-7(2)23-16-12(15(18)19-6-20-16)14(22-23)10-5-8-9(21-10)3-4-11(24)13(8)17/h3-7,21,24H,1-2H3,(H2,18,19,20)
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n/an/a<5n/an/an/an/an/an/a



Intellikine LLC

US Patent


Assay Description
This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ...


US Patent US10172858 (2019)


Article DOI: 10.1021/jm800670r
BindingDB Entry DOI: 10.7270/Q2736T01
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM315520
PNG
(US10172858, Table 2.16 | US9828378, # 16)
Show SMILES CC(C)n1nc(-c2cc3cc(O)cc(F)c3[nH]2)c2c(N)ncnc12
Show InChI InChI=1S/C16H15FN6O/c1-7(2)23-16-12(15(18)19-6-20-16)14(22-23)11-4-8-3-9(24)5-10(17)13(8)21-11/h3-7,21,24H,1-2H3,(H2,18,19,20)
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n/an/a<5n/an/an/an/an/an/a



Intellikine LLC

US Patent


Assay Description
This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ...


US Patent US10172858 (2019)


Article DOI: 10.1021/jm800670r
BindingDB Entry DOI: 10.7270/Q2736T01
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM315519
PNG
(US10172858, Table 2.15 | US9828378, # 15)
Show SMILES CC(C)n1nc(-c2cc3cc(O)cc(Cl)c3[nH]2)c2c(N)ncnc12
Show InChI InChI=1S/C16H15ClN6O/c1-7(2)23-16-12(15(18)19-6-20-16)14(22-23)11-4-8-3-9(24)5-10(17)13(8)21-11/h3-7,21,24H,1-2H3,(H2,18,19,20)
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n/an/a<5n/an/an/an/an/an/a



Intellikine LLC

US Patent


Assay Description
This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ...


US Patent US10172858 (2019)


Article DOI: 10.1021/jm800670r
BindingDB Entry DOI: 10.7270/Q2736T01
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM315515
PNG
(US10172858, Table 2.11 | US9828378, # 11)
Show SMILES CC(C)n1nc(-c2cc3cccc(O)c3[nH]2)c2c(N)ncnc12
Show InChI InChI=1S/C16H16N6O/c1-8(2)22-16-12(15(17)18-7-19-16)14(21-22)10-6-9-4-3-5-11(23)13(9)20-10/h3-8,20,23H,1-2H3,(H2,17,18,19)
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n/an/a<5n/an/an/an/an/an/a



Intellikine LLC

US Patent


Assay Description
This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ...


US Patent US10172858 (2019)


Article DOI: 10.1021/jm800670r
BindingDB Entry DOI: 10.7270/Q2736T01
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM15234
PNG
((1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-...)
Show SMILES COC[C@H]1OC(=O)c2coc3c2[C@@]1(C)C1=C([C@@H]2CCC(=O)[C@@]2(C)C[C@H]1OC(C)=O)C3=O
Show InChI InChI=1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma


J Med Chem 49: 3857-71 (2006)


Article DOI: 10.1021/jm0601598
BindingDB Entry DOI: 10.7270/Q2DZ07X0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50323730
PNG
(2-((4-amino-3-(3-hydroxyprop-1-ynyl)-1H-pyrazolo[3...)
Show SMILES Cc1ccccc1-n1c(Cn2nc(C#CCO)c3c(N)ncnc23)nc2cccc(C)c2c1=O
Show InChI InChI=1S/C25H21N7O2/c1-15-7-3-4-11-19(15)32-20(29-17-9-5-8-16(2)21(17)25(32)34)13-31-24-22(23(26)27-14-28-24)18(30-31)10-6-12-33/h3-5,7-9,11,14,33H,12-13H2,1-2H3,(H2,26,27,28)
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n/an/a 7n/an/an/an/an/an/a



Medical Research Council-Laboratory of Molecular Biology

Curated by ChEMBL


Assay Description
Inhibition of p110delta


Nat Chem Biol 6: 117-24 (2010)


Article DOI: 10.1038/nchembio.293
BindingDB Entry DOI: 10.7270/Q2KP82CK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50323732
PNG
(3-(2-amino-1,3-benzothiazol-6-yl)-1-{[2-(4-methylp...)
Show SMILES CN1CCN(CC1)c1nc2ccccc2cc1Cn1nc(-c2ccc3nc(N)sc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C27H26N10S/c1-35-8-10-36(11-9-35)25-18(12-16-4-2-3-5-19(16)32-25)14-37-26-22(24(28)30-15-31-26)23(34-37)17-6-7-20-21(13-17)38-27(29)33-20/h2-7,12-13,15H,8-11,14H2,1H3,(H2,29,33)(H2,28,30,31)
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n/an/a 9n/an/an/an/an/an/a



Medical Research Council-Laboratory of Molecular Biology

Curated by ChEMBL


Assay Description
Inhibition of p110beta


Nat Chem Biol 6: 117-24 (2010)


Article DOI: 10.1038/nchembio.293
BindingDB Entry DOI: 10.7270/Q2KP82CK
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50323729
PNG
(2-((4-amino-3-(3-fluoro-4-hydroxyphenyl)-1H-pyrazo...)
Show SMILES Cc1ccccc1-n1c(Cn2nc(-c3ccc(O)c(F)c3)c3c(N)ncnc23)nc2cccc(C)c2c1=O
Show InChI InChI=1S/C28H22FN7O2/c1-15-6-3-4-9-20(15)36-22(33-19-8-5-7-16(2)23(19)28(36)38)13-35-27-24(26(30)31-14-32-27)25(34-35)17-10-11-21(37)18(29)12-17/h3-12,14,37H,13H2,1-2H3,(H2,30,31,32)
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n/an/a 9n/an/an/an/an/an/a



Medical Research Council-Laboratory of Molecular Biology

Curated by ChEMBL


Assay Description
Inhibition of p110delta


Nat Chem Biol 6: 117-24 (2010)


Article DOI: 10.1038/nchembio.293
BindingDB Entry DOI: 10.7270/Q2KP82CK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM15234
PNG
((1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-...)
Show SMILES COC[C@H]1OC(=O)c2coc3c2[C@@]1(C)C1=C([C@@H]2CCC(=O)[C@@]2(C)C[C@H]1OC(C)=O)C3=O
Show InChI InChI=1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1
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n/an/a 9n/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kdelta


J Med Chem 49: 3857-71 (2006)


Article DOI: 10.1021/jm0601598
BindingDB Entry DOI: 10.7270/Q2DZ07X0
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM315516
PNG
(US10172858, Table 2.12 | US9828378, # 12)
Show SMILES Nc1ncnc2n(nc(-c3cc4cc(O)ccc4[nH]3)c12)C1CCCC1
Show InChI InChI=1S/C18H18N6O/c19-17-15-16(14-8-10-7-12(25)5-6-13(10)22-14)23-24(11-3-1-2-4-11)18(15)21-9-20-17/h5-9,11,22,25H,1-4H2,(H2,19,20,21)
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n/an/a<10n/an/an/an/an/an/a



Intellikine LLC

US Patent


Assay Description
This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ...


US Patent US10172858 (2019)


Article DOI: 10.1021/jm800670r
BindingDB Entry DOI: 10.7270/Q2736T01
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM315546
PNG
(US10172858, Table 2.41 | US9828378, # 41)
Show SMILES Nc1ncnc2n(nc(-c3cc4cccc(O)c4[nH]3)c12)C1CCN(CC1)C(=O)C1CC1
Show InChI InChI=1S/C22H23N7O2/c23-20-17-19(15-10-13-2-1-3-16(30)18(13)26-15)27-29(21(17)25-11-24-20)14-6-8-28(9-7-14)22(31)12-4-5-12/h1-3,10-12,14,26,30H,4-9H2,(H2,23,24,25)
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n/an/a<10n/an/an/an/an/an/a



Intellikine LLC

US Patent


Assay Description
This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ...


US Patent US10172858 (2019)


Article DOI: 10.1021/jm800670r
BindingDB Entry DOI: 10.7270/Q2736T01
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM315544
PNG
(US10172858, Table 2.39 | US9828378, # 39)
Show SMILES CC(C)n1nc(-c2cc3c(Cl)ccc(O)c3[nH]2)c2c(N)ncnc12
Show InChI InChI=1S/C16H15ClN6O/c1-7(2)23-16-12(15(18)19-6-20-16)14(22-23)10-5-8-9(17)3-4-11(24)13(8)21-10/h3-7,21,24H,1-2H3,(H2,18,19,20)
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n/an/a<10n/an/an/an/an/an/a



Intellikine LLC

US Patent


Assay Description
This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ...


US Patent US10172858 (2019)


Article DOI: 10.1021/jm800670r
BindingDB Entry DOI: 10.7270/Q2736T01
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM315541
PNG
(US10172858, Table 2.36 | US9828378, # 36)
Show SMILES Nc1ncnc2n(nc(-c3cc4cccc(O)c4[nH]3)c12)C1CCCC1
Show InChI InChI=1S/C18H18N6O/c19-17-14-16(12-8-10-4-3-7-13(25)15(10)22-12)23-24(11-5-1-2-6-11)18(14)21-9-20-17/h3-4,7-9,11,22,25H,1-2,5-6H2,(H2,19,20,21)
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n/an/a<10n/an/an/an/an/an/a



Intellikine LLC

US Patent


Assay Description
This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ...


US Patent US10172858 (2019)


Article DOI: 10.1021/jm800670r
BindingDB Entry DOI: 10.7270/Q2736T01
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM15234
PNG
((1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-...)
Show SMILES COC[C@H]1OC(=O)c2coc3c2[C@@]1(C)C1=C([C@@H]2CCC(=O)[C@@]2(C)C[C@H]1OC(C)=O)C3=O
Show InChI InChI=1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kbeta


J Med Chem 49: 3857-71 (2006)


Article DOI: 10.1021/jm0601598
BindingDB Entry DOI: 10.7270/Q2DZ07X0
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM315531
PNG
(US10172858, Table 2.26 | US9828378, # 26)
Show SMILES Nc1ncnc2n(nc(-c3cc4cc(O)ccc4[nH]3)c12)C1CCCCC1
Show InChI InChI=1S/C19H20N6O/c20-18-16-17(15-9-11-8-13(26)6-7-14(11)23-15)24-25(19(16)22-10-21-18)12-4-2-1-3-5-12/h6-10,12,23,26H,1-5H2,(H2,20,21,22)
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n/an/a<10n/an/an/an/an/an/a



Intellikine LLC

US Patent


Assay Description
This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ...


US Patent US10172858 (2019)


Article DOI: 10.1021/jm800670r
BindingDB Entry DOI: 10.7270/Q2736T01
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM315568
PNG
(US10172858, Table 2.65 | US9828378, # 65)
Show SMILES CC(=O)N1CCC(CC1)n1nc(-c2cc3ccc(O)cc3[nH]2)c2c(N)ncnc12
Show InChI InChI=1S/C20H21N7O2/c1-11(28)26-6-4-13(5-7-26)27-20-17(19(21)22-10-23-20)18(25-27)16-8-12-2-3-14(29)9-15(12)24-16/h2-3,8-10,13,24,29H,4-7H2,1H3,(H2,21,22,23)
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n/an/a<10n/an/an/an/an/an/a



Intellikine LLC

US Patent


Assay Description
This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ...


US Patent US10172858 (2019)


Article DOI: 10.1021/jm800670r
BindingDB Entry DOI: 10.7270/Q2736T01
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM315552
PNG
(US10172858, Table 2.49 | US9828378, # 49)
Show SMILES Nc1ncnc2n(nc(-c3cc4cc(O)ccc4[nH]3)c12)C1CC(C1)N1CCOCC1
Show InChI InChI=1S/C21H23N7O2/c22-20-18-19(17-8-12-7-15(29)1-2-16(12)25-17)26-28(21(18)24-11-23-20)14-9-13(10-14)27-3-5-30-6-4-27/h1-2,7-8,11,13-14,25,29H,3-6,9-10H2,(H2,22,23,24)
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n/an/a<10n/an/an/an/an/an/a



Intellikine LLC

US Patent


Assay Description
This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ...


US Patent US10172858 (2019)


Article DOI: 10.1021/jm800670r
BindingDB Entry DOI: 10.7270/Q2736T01
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50315213
PNG
(2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-t...)
Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Show InChI InChI=1S/C19H21F2N7O2/c20-15(21)16-22-13-3-1-2-4-14(13)28(16)19-24-17(26-5-9-29-10-6-26)23-18(25-19)27-7-11-30-12-8-27/h1-4,15H,5-12H2
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n/an/a 16n/an/an/an/an/an/a



Medical Research Council-Laboratory of Molecular Biology

Curated by ChEMBL


Assay Description
Inhibition of p110alpha


Nat Chem Biol 6: 117-24 (2010)


Article DOI: 10.1038/nchembio.293
BindingDB Entry DOI: 10.7270/Q2KP82CK
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50189741
PNG
(5-[5-(2,5-dihydroxyphenyl)furan-2-ylmethylene]thia...)
Show SMILES Oc1ccc(O)c(c1)-c1ccc(\C=C2/SC(=O)NC2=O)o1
Show InChI InChI=1S/C14H9NO5S/c16-7-1-3-10(17)9(5-7)11-4-2-8(20-11)6-12-13(18)15-14(19)21-12/h1-6,16-17H,(H,15,18,19)/b12-6-
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n/an/a 20n/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma


J Med Chem 49: 3857-71 (2006)


Article DOI: 10.1021/jm0601598
BindingDB Entry DOI: 10.7270/Q2DZ07X0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50189760
PNG
(5-[5-(2,4-dihydroxyphenyl)furan-2-ylmethylene]thia...)
Show SMILES Oc1ccc(-c2ccc(\C=C3/SC(=O)NC3=O)o2)c(O)c1
Show InChI InChI=1S/C14H9NO5S/c16-7-1-3-9(10(17)5-7)11-4-2-8(20-11)6-12-13(18)15-14(19)21-12/h1-6,16-17H,(H,15,18,19)/b12-6-
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n/an/a 20n/an/an/an/an/an/a



Serono Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human PI3Kgamma


J Med Chem 49: 3857-71 (2006)


Article DOI: 10.1021/jm0601598
BindingDB Entry DOI: 10.7270/Q2DZ07X0
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50323729
PNG
(2-((4-amino-3-(3-fluoro-4-hydroxyphenyl)-1H-pyrazo...)
Show SMILES Cc1ccccc1-n1c(Cn2nc(-c3ccc(O)c(F)c3)c3c(N)ncnc23)nc2cccc(C)c2c1=O
Show InChI InChI=1S/C28H22FN7O2/c1-15-6-3-4-9-20(15)36-22(33-19-8-5-7-16(2)23(19)28(36)38)13-35-27-24(26(30)31-14-32-27)25(34-35)17-10-11-21(37)18(29)12-17/h3-12,14,37H,13H2,1-2H3,(H2,30,31,32)
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n/an/a 20n/an/an/an/an/an/a



Medical Research Council-Laboratory of Molecular Biology

Curated by ChEMBL


Assay Description
Inhibition of p110gamma


Nat Chem Biol 6: 117-24 (2010)


Article DOI: 10.1038/nchembio.293
BindingDB Entry DOI: 10.7270/Q2KP82CK
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM50323734
PNG
(3-((4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidi...)
Show SMILES CC(C)n1nc(C#Cc2cccc(O)c2)c2c(N)ncnc12
Show InChI InChI=1S/C16H15N5O/c1-10(2)21-16-14(15(17)18-9-19-16)13(20-21)7-6-11-4-3-5-12(22)8-11/h3-5,8-10,22H,1-2H3,(H2,17,18,19)
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n/an/a 21n/an/an/an/an/an/a



Medical Research Council-Laboratory of Molecular Biology

Curated by ChEMBL


Assay Description
Inhibition of p110delta


Nat Chem Biol 6: 117-24 (2010)


Article DOI: 10.1038/nchembio.293
BindingDB Entry DOI: 10.7270/Q2KP82CK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform


(Homo sapiens (Human))
BDBM50323731
PNG
(CHEMBL1213117 | N-(6-(4-amino-1-((2-(4-methylpiper...)
Show SMILES CN1CCN(CC1)c1nc2ccccc2cc1Cn1nc(-c2ccc3nc(NC(C)=O)sc3c2)c2c(N)ncnc12
Show InChI InChI=1S/C29H28N10OS/c1-17(40)33-29-35-22-8-7-19(14-23(22)41-29)25-24-26(30)31-16-32-28(24)39(36-25)15-20-13-18-5-3-4-6-21(18)34-27(20)38-11-9-37(2)10-12-38/h3-8,13-14,16H,9-12,15H2,1-2H3,(H2,30,31,32)(H,33,35,40)
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n/an/a 23n/an/an/an/an/an/a



Medical Research Council-Laboratory of Molecular Biology

Curated by ChEMBL


Assay Description
Inhibition of p110beta


Nat Chem Biol 6: 117-24 (2010)


Article DOI: 10.1038/nchembio.293
BindingDB Entry DOI: 10.7270/Q2KP82CK
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM315560
PNG
(US10172858, Table 2.57 | US9828378, # 57)
Show SMILES Nc1ncnc2n(nc(-c3cc4cc(O)ccc4[nH]3)c12)C1CCC(CC1)N1CCOCC1
Show InChI InChI=1S/C23H27N7O2/c24-22-20-21(19-12-14-11-17(31)5-6-18(14)27-19)28-30(23(20)26-13-25-22)16-3-1-15(2-4-16)29-7-9-32-10-8-29/h5-6,11-13,15-16,27,31H,1-4,7-10H2,(H2,24,25,26)
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n/an/a<25n/an/an/an/an/an/a



Intellikine LLC

US Patent


Assay Description
This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ...


US Patent US10172858 (2019)


Article DOI: 10.1021/jm800670r
BindingDB Entry DOI: 10.7270/Q2736T01
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM315564
PNG
(US10172858, Table 2.61 | US9828378, # 61)
Show SMILES COc1ccc(Cl)c2cc([nH]c12)-c1nn(C2CCOCC2)c2ncnc(N)c12
Show InChI InChI=1S/C19H19ClN6O2/c1-27-14-3-2-12(20)11-8-13(24-16(11)14)17-15-18(21)22-9-23-19(15)26(25-17)10-4-6-28-7-5-10/h2-3,8-10,24H,4-7H2,1H3,(H2,21,22,23)
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n/an/a<25n/an/an/an/an/an/a



Intellikine LLC

US Patent


Assay Description
This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ...


US Patent US10172858 (2019)


Article DOI: 10.1021/jm800670r
BindingDB Entry DOI: 10.7270/Q2736T01
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM315566
PNG
(US10172858, Table 2.63 | US9828378, # 63)
Show SMILES COc1cccc2cc([nH]c12)-c1nn(C2CCOCC2)c2ncnc(N)c12
Show InChI InChI=1S/C19H20N6O2/c1-26-14-4-2-3-11-9-13(23-16(11)14)17-15-18(20)21-10-22-19(15)25(24-17)12-5-7-27-8-6-12/h2-4,9-10,12,23H,5-8H2,1H3,(H2,20,21,22)
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n/an/a<25n/an/an/an/an/an/a



Intellikine LLC

US Patent


Assay Description
This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ...


US Patent US10172858 (2019)


Article DOI: 10.1021/jm800670r
BindingDB Entry DOI: 10.7270/Q2736T01
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM315566
PNG
(US10172858, Table 2.63 | US9828378, # 63)
Show SMILES COc1cccc2cc([nH]c12)-c1nn(C2CCOCC2)c2ncnc(N)c12
Show InChI InChI=1S/C19H20N6O2/c1-26-14-4-2-3-11-9-13(23-16(11)14)17-15-18(20)21-10-22-19(15)25(24-17)12-5-7-27-8-6-12/h2-4,9-10,12,23H,5-8H2,1H3,(H2,20,21,22)
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n/an/a<25n/an/an/an/an/an/a



Intellikine LLC

US Patent


Assay Description
This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ...


US Patent US10172858 (2019)


Article DOI: 10.1021/jm800670r
BindingDB Entry DOI: 10.7270/Q2736T01
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM315567
PNG
(US10172858, Table 2.64 | US9828378, # 64)
Show SMILES CC(C)N1CCC(CC1)n1nc(-c2cc3cccc(O)c3[nH]2)c2c(N)ncnc12
Show InChI InChI=1S/C21H25N7O/c1-12(2)27-8-6-14(7-9-27)28-21-17(20(22)23-11-24-21)19(26-28)15-10-13-4-3-5-16(29)18(13)25-15/h3-5,10-12,14,25,29H,6-9H2,1-2H3,(H2,22,23,24)
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Intellikine LLC

US Patent


Assay Description
This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ...


US Patent US10172858 (2019)


Article DOI: 10.1021/jm800670r
BindingDB Entry DOI: 10.7270/Q2736T01
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM315568
PNG
(US10172858, Table 2.65 | US9828378, # 65)
Show SMILES CC(=O)N1CCC(CC1)n1nc(-c2cc3ccc(O)cc3[nH]2)c2c(N)ncnc12
Show InChI InChI=1S/C20H21N7O2/c1-11(28)26-6-4-13(5-7-26)27-20-17(19(21)22-10-23-20)18(25-27)16-8-12-2-3-14(29)9-15(12)24-16/h2-3,8-10,13,24,29H,4-7H2,1H3,(H2,21,22,23)
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n/an/a<25n/an/an/an/an/an/a



Intellikine LLC

US Patent


Assay Description
This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ...


US Patent US10172858 (2019)


Article DOI: 10.1021/jm800670r
BindingDB Entry DOI: 10.7270/Q2736T01
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM315568
PNG
(US10172858, Table 2.65 | US9828378, # 65)
Show SMILES CC(=O)N1CCC(CC1)n1nc(-c2cc3ccc(O)cc3[nH]2)c2c(N)ncnc12
Show InChI InChI=1S/C20H21N7O2/c1-11(28)26-6-4-13(5-7-26)27-20-17(19(21)22-10-23-20)18(25-27)16-8-12-2-3-14(29)9-15(12)24-16/h2-3,8-10,13,24,29H,4-7H2,1H3,(H2,21,22,23)
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n/an/a<25n/an/an/an/an/an/a



Intellikine LLC

US Patent


Assay Description
This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ...


US Patent US10172858 (2019)


Article DOI: 10.1021/jm800670r
BindingDB Entry DOI: 10.7270/Q2736T01
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM315572
PNG
(US10172858, Table 2.68 | US9828378, # 68)
Show SMILES Nc1ncnc2n(nc(-c3cc4cc(O)cc(Cl)c4[nH]3)c12)C1CCOCC1
Show InChI InChI=1S/C18H17ClN6O2/c19-12-7-11(26)5-9-6-13(23-15(9)12)16-14-17(20)21-8-22-18(14)25(24-16)10-1-3-27-4-2-10/h5-8,10,23,26H,1-4H2,(H2,20,21,22)
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n/an/a<25n/an/an/an/an/an/a



Intellikine LLC

US Patent


Assay Description
This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ...


US Patent US10172858 (2019)


Article DOI: 10.1021/jm800670r
BindingDB Entry DOI: 10.7270/Q2736T01
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform


(Homo sapiens (Human))
BDBM315574
PNG
(US10172858, Table 2.70 | US9828378, # 70)
Show SMILES CC(=O)N1CCC(CC1)n1nc(-c2cc3cc(O)cc(Cl)c3[nH]2)c2c(N)ncnc12
Show InChI InChI=1S/C20H20ClN7O2/c1-10(29)27-4-2-12(3-5-27)28-20-16(19(22)23-9-24-20)18(26-28)15-7-11-6-13(30)8-14(21)17(11)25-15/h6-9,12,25,30H,2-5H2,1H3,(H2,22,23,24)
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n/an/a<25n/an/an/an/an/an/a



Intellikine LLC

US Patent


Assay Description
This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ...


US Patent US10172858 (2019)


Article DOI: 10.1021/jm800670r
BindingDB Entry DOI: 10.7270/Q2736T01
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM315514
PNG
(US10172858, Table 2.10 | US9828378, # 10)
Show SMILES COc1cccc2cc([nH]c12)-c1nn(C(C)C)c2ncnc(N)c12
Show InChI InChI=1S/C17H18N6O/c1-9(2)23-17-13(16(18)19-8-20-17)15(22-23)11-7-10-5-4-6-12(24-3)14(10)21-11/h4-9,21H,1-3H3,(H2,18,19,20)
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n/an/a<25n/an/an/an/an/an/a



Intellikine LLC

US Patent


Assay Description
This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ...


US Patent US10172858 (2019)


Article DOI: 10.1021/jm800670r
BindingDB Entry DOI: 10.7270/Q2736T01
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM315532
PNG
(US10172858, Table 2.27 | US9828378, # 27)
Show SMILES Nc1ncnc2n(nc(-c3cc4cc(O)ccc4[nH]3)c12)C1CCC1
Show InChI InChI=1S/C17H16N6O/c18-16-14-15(13-7-9-6-11(24)4-5-12(9)21-13)22-23(10-2-1-3-10)17(14)20-8-19-16/h4-8,10,21,24H,1-3H2,(H2,18,19,20)
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n/an/a<25n/an/an/an/an/an/a



Intellikine LLC

US Patent


Assay Description
This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ...


US Patent US10172858 (2019)


Article DOI: 10.1021/jm800670r
BindingDB Entry DOI: 10.7270/Q2736T01
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM315535
PNG
(US10172858, Table 2.30 | US9828378, # 30)
Show SMILES CC(=O)N1CCC(CC1)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
Show InChI InChI=1S/C20H21N7O2/c1-11(28)26-6-4-13(5-7-26)27-20-17(19(21)22-10-23-20)18(25-27)16-9-12-8-14(29)2-3-15(12)24-16/h2-3,8-10,13,24,29H,4-7H2,1H3,(H2,21,22,23)
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n/an/a<25n/an/an/an/an/an/a



Intellikine LLC

US Patent


Assay Description
This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ...


US Patent US10172858 (2019)


Article DOI: 10.1021/jm800670r
BindingDB Entry DOI: 10.7270/Q2736T01
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM315536
PNG
(US10172858, Table 2.31 | US9828378, # 31)
Show SMILES Nc1ncnc2n(nc(-c3cc4cc(O)ccc4[nH]3)c12)C1CCN(CC1)C(=O)C1CC1
Show InChI InChI=1S/C22H23N7O2/c23-20-18-19(17-10-13-9-15(30)3-4-16(13)26-17)27-29(21(18)25-11-24-20)14-5-7-28(8-6-14)22(31)12-1-2-12/h3-4,9-12,14,26,30H,1-2,5-8H2,(H2,23,24,25)
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Intellikine LLC

US Patent


Assay Description
This assay is relatively simple, reasonably sensitive, and the peptide substrate can be adjusted both in terms of sequence and concentration to meet ...


US Patent US10172858 (2019)


Article DOI: 10.1021/jm800670r
BindingDB Entry DOI: 10.7270/Q2736T01
More data for this
Ligand-Target Pair
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