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Patent code US10047084

Compile Data Set for Download or QSAR
Found 43 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM228251
PNG
(N-((1s,4s)-4-(3-methyl-8-(6-(1-methyl-1H-pyrazol-4...)
Show SMILES Cn1cc(cn1)-c1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n([C@@H]4CC[C@@H](CC4)NS(C)(=O)=O)c3c2c1
Show InChI InChI=1S/C27H29N7O3S/c1-32-16-19(14-30-32)23-10-5-18(13-28-23)17-4-11-24-22(12-17)26-25(15-29-24)33(2)27(35)34(26)21-8-6-20(7-9-21)31-38(3,36)37/h4-5,10-16,20-21,31H,6-9H2,1-3H3/t20-,21+
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BEIJING FORELANDPHARMA CO. LTD.

US Patent


Assay Description
The inhibition of the mTOR protein kinase activity by the compounds was determined by the enzymatic activity assay in vitro. The detection kit suppli...


Citation and Details
More data for this
Ligand-Target Pair
PI3K p110 beta/p85 alpha


(Homo sapiens (Human))
BDBM228204
PNG
(3-methyl-8-(6-(1-methyl-1H-pyrazol-4-yl)pyridin-3-...)
Show SMILES Cn1cc(cn1)-c1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4CCCN(C4)S(C)(=O)=O)c3c2c1
Show InChI InChI=1S/C26H27N7O3S/c1-30-15-19(13-29-30)22-8-7-18(12-27-22)17-6-9-23-21(11-17)25-24(14-28-23)31(2)26(34)33(25)20-5-4-10-32(16-20)37(3,35)36/h6-9,11-15,20H,4-5,10,16H2,1-3H3
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BEIJING FORELANDPHARMA CO. LTD.

US Patent


Assay Description
PI3K alpha-ADP Glo Assay was employed. In the determination of PI3K enzyme activity, the detection kit supplied by Promega (Promega, Cat #: V9101) wa...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM228256
PNG
((S)-3-methyl-8-(6-(1-methyl-1H-pyrazol-4-yl)pyridi...)
Show SMILES Cn1cc(cn1)-c1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n([C@H]4CCN(C4)S(C)(=O)=O)c3c2n1
Show InChI InChI=1S/C24H24N8O3S/c1-29-13-16(11-27-29)18-5-4-15(10-25-18)19-6-7-20-22(28-19)23-21(12-26-20)30(2)24(33)32(23)17-8-9-31(14-17)36(3,34)35/h4-7,10-13,17H,8-9,14H2,1-3H3/t17-/m0/s1
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US Patent


Assay Description
The inhibition of the mTOR protein kinase activity by the compounds was determined by the enzymatic activity assay in vitro. The detection kit suppli...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM228204
PNG
(3-methyl-8-(6-(1-methyl-1H-pyrazol-4-yl)pyridin-3-...)
Show SMILES Cn1cc(cn1)-c1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4CCCN(C4)S(C)(=O)=O)c3c2c1
Show InChI InChI=1S/C26H27N7O3S/c1-30-15-19(13-29-30)22-8-7-18(12-27-22)17-6-9-23-21(11-17)25-24(14-28-23)31(2)26(34)33(25)20-5-4-10-32(16-20)37(3,35)36/h6-9,11-15,20H,4-5,10,16H2,1-3H3
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BEIJING FORELANDPHARMA CO. LTD.

US Patent


Assay Description
The inhibition of the mTOR protein kinase activity by the compounds was determined by the enzymatic activity assay in vitro. The detection kit suppli...


Citation and Details
More data for this
Ligand-Target Pair
PI3K p110 beta/p85 alpha


(Homo sapiens (Human))
BDBM228248
PNG
((R)-3-methyl-8-(6-(1-methyl-1H-pyrazol-4-yl)pyridi...)
Show SMILES Cn1cc(cn1)-c1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n([C@@H]4CCCN(C4)S(C)(=O)=O)c3c2c1
Show InChI InChI=1S/C26H27N7O3S/c1-30-15-19(13-29-30)22-8-7-18(12-27-22)17-6-9-23-21(11-17)25-24(14-28-23)31(2)26(34)33(25)20-5-4-10-32(16-20)37(3,35)36/h6-9,11-15,20H,4-5,10,16H2,1-3H3/t20-/m1/s1
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US Patent


Assay Description
PI3K alpha-ADP Glo Assay was employed. In the determination of PI3K enzyme activity, the detection kit supplied by Promega (Promega, Cat #: V9101) wa...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM228247
PNG
((S)-3-methyl-1-(1-(methanesulfonyl)pyrrolidin-3-yl...)
Show SMILES Cn1c2cnc3ccc(cc3c2n([C@H]2CCN(C2)S(C)(=O)=O)c1=O)-c1ccc(nc1)-c1ccccc1
Show InChI InChI=1S/C27H25N5O3S/c1-30-25-16-29-24-11-8-19(20-9-10-23(28-15-20)18-6-4-3-5-7-18)14-22(24)26(25)32(27(30)33)21-12-13-31(17-21)36(2,34)35/h3-11,14-16,21H,12-13,17H2,1-2H3/t21-/m0/s1
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US Patent


Assay Description
The inhibition of the mTOR protein kinase activity by the compounds was determined by the enzymatic activity assay in vitro. The detection kit suppli...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM228246
PNG
((S)-1-(1-(ethylsulfonyl)pyrrolidin-3-yl)-3-methyl-...)
Show SMILES CCS(=O)(=O)N1CC[C@@H](C1)n1c2c(cnc3ccc(cc23)-c2ccc(nc2)-c2cnn(C)c2)n(C)c1=O
Show InChI InChI=1S/C26H27N7O3S/c1-4-37(35,36)32-10-9-20(16-32)33-25-21-11-17(5-8-23(21)28-14-24(25)31(3)26(33)34)18-6-7-22(27-12-18)19-13-29-30(2)15-19/h5-8,11-15,20H,4,9-10,16H2,1-3H3/t20-/m0/s1
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Assay Description
The inhibition of the mTOR protein kinase activity by the compounds was determined by the enzymatic activity assay in vitro. The detection kit suppli...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM228226
PNG
(1-((1s,4s)-4-hydroxycyclohexyl)-3-methyl-8-(6-(1-m...)
Show SMILES Cn1cc(cn1)-c1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n([C@@H]4CC[C@H](O)CC4)c3c2c1
Show InChI InChI=1S/C26H26N6O2/c1-30-15-18(13-29-30)22-9-4-17(12-27-22)16-3-10-23-21(11-16)25-24(14-28-23)31(2)26(34)32(25)19-5-7-20(33)8-6-19/h3-4,9-15,19-20,33H,5-8H2,1-2H3/t19-,20+
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US Patent


Assay Description
The inhibition of the mTOR protein kinase activity by the compounds was determined by the enzymatic activity assay in vitro. The detection kit suppli...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM228223
PNG
(1-((1r,4r)-4-hydroxycyclohexyl)-3-methyl-8-(6-(1-m...)
Show SMILES Cn1cc(cn1)-c1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n([C@H]4CC[C@H](O)CC4)c3c2c1
Show InChI InChI=1S/C26H26N6O2/c1-30-15-18(13-29-30)22-9-4-17(12-27-22)16-3-10-23-21(11-16)25-24(14-28-23)31(2)26(34)32(25)19-5-7-20(33)8-6-19/h3-4,9-15,19-20,33H,5-8H2,1-2H3/t19-,20-
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US Patent


Assay Description
The inhibition of the mTOR protein kinase activity by the compounds was determined by the enzymatic activity assay in vitro. The detection kit suppli...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM228204
PNG
(3-methyl-8-(6-(1-methyl-1H-pyrazol-4-yl)pyridin-3-...)
Show SMILES Cn1cc(cn1)-c1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4CCCN(C4)S(C)(=O)=O)c3c2c1
Show InChI InChI=1S/C26H27N7O3S/c1-30-15-19(13-29-30)22-8-7-18(12-27-22)17-6-9-23-21(11-17)25-24(14-28-23)31(2)26(34)33(25)20-5-4-10-32(16-20)37(3,35)36/h6-9,11-15,20H,4-5,10,16H2,1-3H3
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Assay Description
The inhibition of the mTOR protein kinase activity by the compounds was determined by the enzymatic activity assay in vitro. The detection kit suppli...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM228248
PNG
((R)-3-methyl-8-(6-(1-methyl-1H-pyrazol-4-yl)pyridi...)
Show SMILES Cn1cc(cn1)-c1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n([C@@H]4CCCN(C4)S(C)(=O)=O)c3c2c1
Show InChI InChI=1S/C26H27N7O3S/c1-30-15-19(13-29-30)22-8-7-18(12-27-22)17-6-9-23-21(11-17)25-24(14-28-23)31(2)26(34)33(25)20-5-4-10-32(16-20)37(3,35)36/h6-9,11-15,20H,4-5,10,16H2,1-3H3/t20-/m1/s1
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Assay Description
The inhibition of the mTOR protein kinase activity by the compounds was determined by the enzymatic activity assay in vitro. The detection kit suppli...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM228257
PNG
((S)-3-methyl-1-(1-(methanesulfonyl)pyrrolidin-3-yl...)
Show SMILES Cn1c2cnc3ccc(nc3c2n([C@H]2CCN(C2)S(C)(=O)=O)c1=O)-c1ccc(nc1)-c1ccccc1
Show InChI InChI=1S/C26H24N6O3S/c1-30-23-15-28-22-11-10-21(18-8-9-20(27-14-18)17-6-4-3-5-7-17)29-24(22)25(23)32(26(30)33)19-12-13-31(16-19)36(2,34)35/h3-11,14-15,19H,12-13,16H2,1-2H3/t19-/m0/s1
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Assay Description
The inhibition of the mTOR protein kinase activity by the compounds was determined by the enzymatic activity assay in vitro. The detection kit suppli...


Citation and Details
More data for this
Ligand-Target Pair
PI3K p110 beta/p85 alpha


(Homo sapiens (Human))
BDBM228226
PNG
(1-((1s,4s)-4-hydroxycyclohexyl)-3-methyl-8-(6-(1-m...)
Show SMILES Cn1cc(cn1)-c1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n([C@@H]4CC[C@H](O)CC4)c3c2c1
Show InChI InChI=1S/C26H26N6O2/c1-30-15-18(13-29-30)22-9-4-17(12-27-22)16-3-10-23-21(11-16)25-24(14-28-23)31(2)26(34)32(25)19-5-7-20(33)8-6-19/h3-4,9-15,19-20,33H,5-8H2,1-2H3/t19-,20+
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Assay Description
PI3K alpha-ADP Glo Assay was employed. In the determination of PI3K enzyme activity, the detection kit supplied by Promega (Promega, Cat #: V9101) wa...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM228227
PNG
(1-((1s,4s)-4-hydroxycyclohexyl)-3-methyl-8-(6-phen...)
Show SMILES Cn1c2cnc3ccc(cc3c2n([C@@H]2CC[C@H](O)CC2)c1=O)-c1ccc(nc1)-c1ccccc1
Show InChI InChI=1S/C28H26N4O2/c1-31-26-17-30-25-14-7-19(20-8-13-24(29-16-20)18-5-3-2-4-6-18)15-23(25)27(26)32(28(31)34)21-9-11-22(33)12-10-21/h2-8,13-17,21-22,33H,9-12H2,1H3/t21-,22+
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Assay Description
The inhibition of the mTOR protein kinase activity by the compounds was determined by the enzymatic activity assay in vitro. The detection kit suppli...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM228255
PNG
(3-methyl-8-(6-(1-methyl-1H-pyrazol-4-yl)pyridin-3-...)
Show SMILES Cn1cc(cn1)-c1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4CCCN(C4)S(C)(=O)=O)c3c2n1
Show InChI InChI=1S/C25H26N8O3S/c1-30-14-17(12-28-30)19-7-6-16(11-26-19)20-8-9-21-23(29-20)24-22(13-27-21)31(2)25(34)33(24)18-5-4-10-32(15-18)37(3,35)36/h6-9,11-14,18H,4-5,10,15H2,1-3H3
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Assay Description
The inhibition of the mTOR protein kinase activity by the compounds was determined by the enzymatic activity assay in vitro. The detection kit suppli...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM228206
PNG
(1-(1-((R)-2-hydroxypropionyl)piperidin-3-yl)-3-met...)
Show SMILES C[C@@H](O)C(=O)N1CCCC(C1)n1c2c(cnc3ccc(cc23)-c2ccc(nc2)-c2cnn(C)c2)n(C)c1=O
Show InChI InChI=1S/C28H29N7O3/c1-17(36)27(37)34-10-4-5-21(16-34)35-26-22-11-18(6-9-24(22)30-14-25(26)33(3)28(35)38)19-7-8-23(29-12-19)20-13-31-32(2)15-20/h6-9,11-15,17,21,36H,4-5,10,16H2,1-3H3/t17-,21?/m1/s1
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Assay Description
The inhibition of the mTOR protein kinase activity by the compounds was determined by the enzymatic activity assay in vitro. The detection kit suppli...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM228253
PNG
((1s,4s)-4-(3-methyl-8-(6-(1-methyl-1H-pyrazol-4-yl...)
Show SMILES Cn1cc(cn1)-c1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n([C@@H]4CC[C@@H](CC4)C(O)=O)c3c2c1
Show InChI InChI=1S/C27H26N6O3/c1-31-15-19(13-30-31)22-9-6-18(12-28-22)17-5-10-23-21(11-17)25-24(14-29-23)32(2)27(36)33(25)20-7-3-16(4-8-20)26(34)35/h5-6,9-16,20H,3-4,7-8H2,1-2H3,(H,34,35)/t16-,20+
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Assay Description
The inhibition of the mTOR protein kinase activity by the compounds was determined by the enzymatic activity assay in vitro. The detection kit suppli...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM228242
PNG
(8-(6-aminopyridin-3-yl)1-((1s,4s)-4-hydroxycyclohe...)
Show SMILES Cn1c2cnc3ccc(cc3c2n([C@@H]2CC[C@H](O)CC2)c1=O)-c1ccc(N)nc1
Show InChI InChI=1S/C22H23N5O2/c1-26-19-12-24-18-8-2-13(14-3-9-20(23)25-11-14)10-17(18)21(19)27(22(26)29)15-4-6-16(28)7-5-15/h2-3,8-12,15-16,28H,4-7H2,1H3,(H2,23,25)/t15-,16+
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Assay Description
The inhibition of the mTOR protein kinase activity by the compounds was determined by the enzymatic activity assay in vitro. The detection kit suppli...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM228207
PNG
(3-methyl-8-(6-(1-methyl-1H-pyrazol-4-yl)pyridin-3-...)
Show SMILES Cn1cc(cn1)-c1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4CCN(C4)S(C)(=O)=O)c3c2c1
Show InChI InChI=1S/C25H25N7O3S/c1-29-14-18(12-28-29)21-6-5-17(11-26-21)16-4-7-22-20(10-16)24-23(13-27-22)30(2)25(33)32(24)19-8-9-31(15-19)36(3,34)35/h4-7,10-14,19H,8-9,15H2,1-3H3
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Assay Description
The inhibition of the mTOR protein kinase activity by the compounds was determined by the enzymatic activity assay in vitro. The detection kit suppli...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM228249
PNG
(1-(3-hydroxycyclohexyl)-3-methyl-8-(6-(1-methyl-1H...)
Show SMILES Cn1cc(cn1)-c1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4CCCC(O)C4)c3c2c1
Show InChI InChI=1S/C26H26N6O2/c1-30-15-18(13-29-30)22-8-7-17(12-27-22)16-6-9-23-21(10-16)25-24(14-28-23)31(2)26(34)32(25)19-4-3-5-20(33)11-19/h6-10,12-15,19-20,33H,3-5,11H2,1-2H3
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Assay Description
The inhibition of the mTOR protein kinase activity by the compounds was determined by the enzymatic activity assay in vitro. The detection kit suppli...


Citation and Details
More data for this
Ligand-Target Pair
PI3K p110 beta/p85 alpha


(Homo sapiens (Human))
BDBM228243
PNG
((R)-3-methyl-8-(6-(1-methyl-1H-pyrazol-4-yl)pyridi...)
Show SMILES Cn1cc(cn1)-c1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n([C@@H]4CCN(C4)S(C)(=O)=O)c3c2c1
Show InChI InChI=1S/C25H25N7O3S/c1-29-14-18(12-28-29)21-6-5-17(11-26-21)16-4-7-22-20(10-16)24-23(13-27-22)30(2)25(33)32(24)19-8-9-31(15-19)36(3,34)35/h4-7,10-14,19H,8-9,15H2,1-3H3/t19-/m1/s1
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Assay Description
PI3K alpha-ADP Glo Assay was employed. In the determination of PI3K enzyme activity, the detection kit supplied by Promega (Promega, Cat #: V9101) wa...


Citation and Details
More data for this
Ligand-Target Pair
PI3K p110 beta/p85 alpha


(Homo sapiens (Human))
BDBM228245
PNG
((S)-3-methyl-8-(6-(1-methyl-1H-pyrazol-4-yl)pyridi...)
Show SMILES Cn1cc(cn1)-c1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n([C@H]4CCN(C4)S(C)(=O)=O)c3c2c1
Show InChI InChI=1S/C25H25N7O3S/c1-29-14-18(12-28-29)21-6-5-17(11-26-21)16-4-7-22-20(10-16)24-23(13-27-22)30(2)25(33)32(24)19-8-9-31(15-19)36(3,34)35/h4-7,10-14,19H,8-9,15H2,1-3H3/t19-/m0/s1
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Assay Description
PI3K alpha-ADP Glo Assay was employed. In the determination of PI3K enzyme activity, the detection kit supplied by Promega (Promega, Cat #: V9101) wa...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM228245
PNG
((S)-3-methyl-8-(6-(1-methyl-1H-pyrazol-4-yl)pyridi...)
Show SMILES Cn1cc(cn1)-c1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n([C@H]4CCN(C4)S(C)(=O)=O)c3c2c1
Show InChI InChI=1S/C25H25N7O3S/c1-29-14-18(12-28-29)21-6-5-17(11-26-21)16-4-7-22-20(10-16)24-23(13-27-22)30(2)25(33)32(24)19-8-9-31(15-19)36(3,34)35/h4-7,10-14,19H,8-9,15H2,1-3H3/t19-/m0/s1
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Assay Description
The inhibition of the mTOR protein kinase activity by the compounds was determined by the enzymatic activity assay in vitro. The detection kit suppli...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM228250
PNG
(N-((1s,4s)-4-(3-methyl-8-(6-(1-methyl-1H-pyrazol-4...)
Show SMILES CC(=O)N[C@H]1CC[C@H](CC1)n1c2c(cnc3ccc(cc23)-c2ccc(nc2)-c2cnn(C)c2)n(C)c1=O
Show InChI InChI=1S/C28H29N7O2/c1-17(36)32-21-6-8-22(9-7-21)35-27-23-12-18(4-11-25(23)30-15-26(27)34(3)28(35)37)19-5-10-24(29-13-19)20-14-31-33(2)16-20/h4-5,10-16,21-22H,6-9H2,1-3H3,(H,32,36)/t21-,22+
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Assay Description
The inhibition of the mTOR protein kinase activity by the compounds was determined by the enzymatic activity assay in vitro. The detection kit suppli...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM228236
PNG
(1-((1r,4r)-4-hydroxycyclohexyl)-3-methyl-8-(6-phen...)
Show SMILES Cn1c2cnc3ccc(cc3c2n([C@H]2CC[C@H](O)CC2)c1=O)-c1ccc(nc1)-c1ccccc1
Show InChI InChI=1S/C28H26N4O2/c1-31-26-17-30-25-14-7-19(20-8-13-24(29-16-20)18-5-3-2-4-6-18)15-23(25)27(26)32(28(31)34)21-9-11-22(33)12-10-21/h2-8,13-17,21-22,33H,9-12H2,1H3/t21-,22-
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Assay Description
The inhibition of the mTOR protein kinase activity by the compounds was determined by the enzymatic activity assay in vitro. The detection kit suppli...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM228235
PNG
(1-((1r,4r)-4-hydroxycyclohexyl)-8-(6-methoxyl-5-me...)
Show SMILES COc1ncc(cc1C)-c1ccc2ncc3n(C)c(=O)n([C@H]4CC[C@H](O)CC4)c3c2c1
Show InChI InChI=1S/C24H26N4O3/c1-14-10-16(12-26-23(14)31-3)15-4-9-20-19(11-15)22-21(13-25-20)27(2)24(30)28(22)17-5-7-18(29)8-6-17/h4,9-13,17-18,29H,5-8H2,1-3H3/t17-,18-
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Assay Description
The inhibition of the mTOR protein kinase activity by the compounds was determined by the enzymatic activity assay in vitro. The detection kit suppli...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM228229
PNG
(1-((1s,4s)-4-hydroxycyclohexyl)-8-(6-methoxyl-5-me...)
Show SMILES COc1ncc(cc1C)-c1ccc2ncc3n(C)c(=O)n([C@@H]4CC[C@H](O)CC4)c3c2c1
Show InChI InChI=1S/C24H26N4O3/c1-14-10-16(12-26-23(14)31-3)15-4-9-20-19(11-15)22-21(13-25-20)27(2)24(30)28(22)17-5-7-18(29)8-6-17/h4,9-13,17-18,29H,5-8H2,1-3H3/t17-,18+
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Assay Description
The inhibition of the mTOR protein kinase activity by the compounds was determined by the enzymatic activity assay in vitro. The detection kit suppli...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM228232
PNG
(1-((1s,4s)-4-hydroxycyclohexyl)-3-methyl-8-(1-phen...)
Show SMILES Cn1c2cnc3ccc(cc3c2n([C@@H]2CC[C@H](O)CC2)c1=O)-c1cnn(c1)-c1ccccc1
Show InChI InChI=1S/C26H25N5O2/c1-29-24-15-27-23-12-7-17(18-14-28-30(16-18)19-5-3-2-4-6-19)13-22(23)25(24)31(26(29)33)20-8-10-21(32)11-9-20/h2-7,12-16,20-21,32H,8-11H2,1H3/t20-,21+
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Assay Description
The inhibition of the mTOR protein kinase activity by the compounds was determined by the enzymatic activity assay in vitro. The detection kit suppli...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM228205
PNG
(1-(1-((S)-2-hydroxypropionyl)piperidin-3-yl)-3-met...)
Show SMILES C[C@H](O)C(=O)N1CCCC(C1)n1c2c(cnc3ccc(cc23)-c2ccc(nc2)-c2cnn(C)c2)n(C)c1=O
Show InChI InChI=1S/C28H29N7O3/c1-17(36)27(37)34-10-4-5-21(16-34)35-26-22-11-18(6-9-24(22)30-14-25(26)33(3)28(35)38)19-7-8-23(29-12-19)20-13-31-32(2)15-20/h6-9,11-15,17,21,36H,4-5,10,16H2,1-3H3/t17-,21?/m0/s1
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Assay Description
The inhibition of the mTOR protein kinase activity by the compounds was determined by the enzymatic activity assay in vitro. The detection kit suppli...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM228234
PNG
(1-((1r,4r)-4-hydroxycyclohexyl)-3-methyl-8-(1-phen...)
Show SMILES Cn1c2cnc3ccc(cc3c2n([C@H]2CC[C@H](O)CC2)c1=O)-c1cnn(c1)-c1ccccc1
Show InChI InChI=1S/C26H25N5O2/c1-29-24-15-27-23-12-7-17(18-14-28-30(16-18)19-5-3-2-4-6-19)13-22(23)25(24)31(26(29)33)20-8-10-21(32)11-9-20/h2-7,12-16,20-21,32H,8-11H2,1H3/t20-,21-
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Assay Description
The inhibition of the mTOR protein kinase activity by the compounds was determined by the enzymatic activity assay in vitro. The detection kit suppli...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM228233
PNG
(1-((1s,4s)-4-hydroxycyclohexyl)-3-methyl-8-(6-meth...)
Show SMILES Cc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n([C@@H]4CC[C@H](O)CC4)c3c2c1
Show InChI InChI=1S/C23H24N4O2/c1-14-3-4-16(12-24-14)15-5-10-20-19(11-15)22-21(13-25-20)26(2)23(29)27(22)17-6-8-18(28)9-7-17/h3-5,10-13,17-18,28H,6-9H2,1-2H3/t17-,18+
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Assay Description
The inhibition of the mTOR protein kinase activity by the compounds was determined by the enzymatic activity assay in vitro. The detection kit suppli...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM228200
PNG
(1-(1-(2-hydroxyacetyl)piperidin-3-yl)-3-methyl-8-(...)
Show SMILES Cn1cc(cn1)-c1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4CCCN(C4)C(=O)CO)c3c2c1
Show InChI InChI=1S/C27H27N7O3/c1-31-14-19(12-30-31)22-7-6-18(11-28-22)17-5-8-23-21(10-17)26-24(13-29-23)32(2)27(37)34(26)20-4-3-9-33(15-20)25(36)16-35/h5-8,10-14,20,35H,3-4,9,15-16H2,1-2H3
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Assay Description
The inhibition of the mTOR protein kinase activity by the compounds was determined by the enzymatic activity assay in vitro. The detection kit suppli...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM228203
PNG
(1-(1-(1H-1,2,4-triazole-3-carbonyl)piperidin-3-yl)...)
Show SMILES Cn1cc(cn1)-c1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4CCCN(C4)C(=O)c4nc[nH]n4)c3c2c1
Show InChI InChI=1S/C28H26N10O2/c1-35-14-19(12-33-35)22-7-6-18(11-29-22)17-5-8-23-21(10-17)25-24(13-30-23)36(2)28(40)38(25)20-4-3-9-37(15-20)27(39)26-31-16-32-34-26/h5-8,10-14,16,20H,3-4,9,15H2,1-2H3,(H,31,32,34)
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Assay Description
The inhibition of the mTOR protein kinase activity by the compounds was determined by the enzymatic activity assay in vitro. The detection kit suppli...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM228209
PNG
(1-(1-(2-hydroxyacetyl)pyrrolidin-3-yl)-3-methyl-8-...)
Show SMILES Cn1cc(cn1)-c1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4CCN(C4)C(=O)CO)c3c2c1
Show InChI InChI=1S/C26H25N7O3/c1-30-13-18(11-29-30)21-5-4-17(10-27-21)16-3-6-22-20(9-16)25-23(12-28-22)31(2)26(36)33(25)19-7-8-32(14-19)24(35)15-34/h3-6,9-13,19,34H,7-8,14-15H2,1-2H3
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Assay Description
The inhibition of the mTOR protein kinase activity by the compounds was determined by the enzymatic activity assay in vitro. The detection kit suppli...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM228243
PNG
((R)-3-methyl-8-(6-(1-methyl-1H-pyrazol-4-yl)pyridi...)
Show SMILES Cn1cc(cn1)-c1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n([C@@H]4CCN(C4)S(C)(=O)=O)c3c2c1
Show InChI InChI=1S/C25H25N7O3S/c1-29-14-18(12-28-29)21-6-5-17(11-26-21)16-4-7-22-20(10-16)24-23(13-27-22)30(2)25(33)32(24)19-8-9-31(15-19)36(3,34)35/h4-7,10-14,19H,8-9,15H2,1-3H3/t19-/m1/s1
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Assay Description
The inhibition of the mTOR protein kinase activity by the compounds was determined by the enzymatic activity assay in vitro. The detection kit suppli...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM228222
PNG
(3-methyl-8-(6-(1-methyl-1H-pyrazol-4-yl)pyridin-3-...)
Show SMILES Cn1cc(cn1)-c1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4CCN(C4)C(=O)C(F)(F)F)c3c2c1
Show InChI InChI=1S/C26H22F3N7O2/c1-33-13-17(11-32-33)20-5-4-16(10-30-20)15-3-6-21-19(9-15)23-22(12-31-21)34(2)25(38)36(23)18-7-8-35(14-18)24(37)26(27,28)29/h3-6,9-13,18H,7-8,14H2,1-2H3
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Assay Description
The inhibition of the mTOR protein kinase activity by the compounds was determined by the enzymatic activity assay in vitro. The detection kit suppli...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM228220
PNG
(3-methyl-8-(6-(1-methyl-1H-pyrazol-4-yl)pyridin-3-...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCC(C1)n1c2c(cnc3ccc(cc23)-c2ccc(nc2)-c2cnn(C)c2)n(C)c1=O
Show InChI InChI=1S/C31H29N7O3S/c1-20-4-8-25(9-5-20)42(40,41)37-13-12-24(19-37)38-30-26-14-21(6-11-28(26)33-17-29(30)36(3)31(38)39)22-7-10-27(32-15-22)23-16-34-35(2)18-23/h4-11,14-18,24H,12-13,19H2,1-3H3
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US Patent


Assay Description
The inhibition of the mTOR protein kinase activity by the compounds was determined by the enzymatic activity assay in vitro. The detection kit suppli...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM228212
PNG
(1-(1-ethylpyrrolidin-3-yl)-3-methyl-8-(6-(1-methyl...)
Show SMILES CCN1CCC(C1)n1c2c(cnc3ccc(cc23)-c2ccc(nc2)-c2cnn(C)c2)n(C)c1=O
Show InChI InChI=1S/C26H27N7O/c1-4-32-10-9-20(16-32)33-25-21-11-17(5-8-23(21)28-14-24(25)31(3)26(33)34)18-6-7-22(27-12-18)19-13-29-30(2)15-19/h5-8,11-15,20H,4,9-10,16H2,1-3H3
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n/an/a 550n/an/an/an/an/an/a



BEIJING FORELANDPHARMA CO. LTD.

US Patent


Assay Description
The inhibition of the mTOR protein kinase activity by the compounds was determined by the enzymatic activity assay in vitro. The detection kit suppli...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM228215
PNG
(1-(1-acetylpyrrolidin-3-yl)-3-methyl-8-(6-(1-methy...)
Show SMILES CC(=O)N1CCC(C1)n1c2c(cnc3ccc(cc23)-c2ccc(nc2)-c2cnn(C)c2)n(C)c1=O
Show InChI InChI=1S/C26H25N7O2/c1-16(34)32-9-8-20(15-32)33-25-21-10-17(4-7-23(21)28-13-24(25)31(3)26(33)35)18-5-6-22(27-11-18)19-12-29-30(2)14-19/h4-7,10-14,20H,8-9,15H2,1-3H3
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BEIJING FORELANDPHARMA CO. LTD.

US Patent


Assay Description
The inhibition of the mTOR protein kinase activity by the compounds was determined by the enzymatic activity assay in vitro. The detection kit suppli...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM228210
PNG
(3-methyl-8-(6-(1-methyl-1H-pyrazol-4-yl)pyridin-3-...)
Show SMILES CN1CCC(C1)n1c2c(cnc3ccc(cc23)-c2ccc(nc2)-c2cnn(C)c2)n(C)c1=O
Show InChI InChI=1S/C25H25N7O/c1-29-9-8-19(15-29)32-24-20-10-16(4-7-22(20)27-13-23(24)31(3)25(32)33)17-5-6-21(26-11-17)18-12-28-30(2)14-18/h4-7,10-14,19H,8-9,15H2,1-3H3
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BEIJING FORELANDPHARMA CO. LTD.

US Patent


Assay Description
The inhibition of the mTOR protein kinase activity by the compounds was determined by the enzymatic activity assay in vitro. The detection kit suppli...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM228216
PNG
(1-(1-benzylpyrrolidin-3-yl)-3-methyl-8-(6-(1-methy...)
Show SMILES Cn1cc(cn1)-c1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4CCN(Cc5ccccc5)C4)c3c2c1
Show InChI InChI=1S/C31H29N7O/c1-35-19-24(16-34-35)27-10-9-23(15-32-27)22-8-11-28-26(14-22)30-29(17-33-28)36(2)31(39)38(30)25-12-13-37(20-25)18-21-6-4-3-5-7-21/h3-11,14-17,19,25H,12-13,18,20H2,1-2H3
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BEIJING FORELANDPHARMA CO. LTD.

US Patent


Assay Description
The inhibition of the mTOR protein kinase activity by the compounds was determined by the enzymatic activity assay in vitro. The detection kit suppli...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM228221
PNG
(3-(3-methyl-8-(6-(1-methyl-1H-pyrazol-4-yl)pyridin...)
Show SMILES Cn1cc(cn1)-c1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4CCN(C4)S(N)(=O)=O)c3c2c1
Show InChI InChI=1S/C24H24N8O3S/c1-29-13-17(11-28-29)20-5-4-16(10-26-20)15-3-6-21-19(9-15)23-22(12-27-21)30(2)24(33)32(23)18-7-8-31(14-18)36(25,34)35/h3-6,9-13,18H,7-8,14H2,1-2H3,(H2,25,34,35)
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BEIJING FORELANDPHARMA CO. LTD.

US Patent


Assay Description
The inhibition of the mTOR protein kinase activity by the compounds was determined by the enzymatic activity assay in vitro. The detection kit suppli...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (human))
BDBM228217
PNG
(1-(1-((4-chlorphenyl)sulfonyl)pyrrolidin-3-yl)-3-m...)
Show SMILES Cn1cc(cn1)-c1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4CCN(C4)S(=O)(=O)c4ccc(Cl)cc4)c3c2c1
Show InChI InChI=1S/C30H26ClN7O3S/c1-35-17-21(15-34-35)26-9-4-20(14-32-26)19-3-10-27-25(13-19)29-28(16-33-27)36(2)30(39)38(29)23-11-12-37(18-23)42(40,41)24-7-5-22(31)6-8-24/h3-10,13-17,23H,11-12,18H2,1-2H3
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BEIJING FORELANDPHARMA CO. LTD.

US Patent


Assay Description
The inhibition of the mTOR protein kinase activity by the compounds was determined by the enzymatic activity assay in vitro. The detection kit suppli...


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%