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8 similar compounds to monomer 50314355

Compile data set for download or QSAR
Wt: 337.3
BDBM50315437
Wt: 293.2
BDBM50315452
Wt: 383.3
BDBM50315465
Wt: 351.3
BDBM50315466
Wt: 368.3
BDBM50314332
Wt: 307.3
BDBM50314354
Wt: 384.3
BDBM50314357
Wt: 368.3
BDBM50314358

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 23 hits for monomerid = 50315437,50315452,50315465,50315466,50314332,50314354,50314357,50314358   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50315437
PNG
(4,6-dihydroxy-2-((5-methoxy-1-methyl-1H-indol-3-yl...)
Show SMILES COc1ccc2n(C)cc(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1
Show InChI InChI=1S/C19H15NO5/c1-20-9-10(13-8-12(24-2)3-4-14(13)20)5-17-19(23)18-15(22)6-11(21)7-16(18)25-17/h3-9,21-22H,1-2H3/b17-5-
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n/an/a 62n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 20: 2586-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50314358
PNG
(6-hydroxy-2-((1-methyl-4-phenyl-1H-pyrrolo[2,3-b]p...)
Show SMILES Cn1cc(\C=C2/Oc3cc(O)ccc3C2=O)c2c(ccnc12)-c1ccccc1
Show InChI InChI=1S/C23H16N2O3/c1-25-13-15(11-20-22(27)18-8-7-16(26)12-19(18)28-20)21-17(9-10-24-23(21)25)14-5-3-2-4-6-14/h2-13,26H,1H3/b20-11-
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n/an/a 19n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 20: 2321-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.135
BindingDB Entry DOI: 10.7270/Q2PK0G82
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50315452
PNG
(2-((1H-indol-3-yl)methylene)-4,6-dihydroxybenzofur...)
Show SMILES Oc1cc2O\C(=C/c3c[nH]c4ccccc34)C(=O)c2c(O)c1
Show InChI InChI=1S/C17H11NO4/c19-10-6-13(20)16-14(7-10)22-15(17(16)21)5-9-8-18-12-4-2-1-3-11(9)12/h1-8,18-20H/b15-5-
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n/an/a 9.20E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 20: 2586-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50315465
PNG
(4,6-dihydroxy-2-((1-methyl-2-phenyl-1H-indol-3-yl)...)
Show SMILES Cn1c(c(\C=C2/Oc3cc(O)cc(O)c3C2=O)c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C24H17NO4/c1-25-18-10-6-5-9-16(18)17(23(25)14-7-3-2-4-8-14)13-21-24(28)22-19(27)11-15(26)12-20(22)29-21/h2-13,26-27H,1H3/b21-13-
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n/an/a 96n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 20: 2586-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50315466
PNG
(4,6-dihydroxy-2-((5-methoxy-1,2-dimethyl-1H-indol-...)
Show SMILES COc1ccc2n(C)c(C)c(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1
Show InChI InChI=1S/C20H17NO5/c1-10-13(14-8-12(25-3)4-5-15(14)21(10)2)9-18-20(24)19-16(23)6-11(22)7-17(19)26-18/h4-9,22-23H,1-3H3/b18-9-
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n/an/a 4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 20: 2586-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50315465
PNG
(4,6-dihydroxy-2-((1-methyl-2-phenyl-1H-indol-3-yl)...)
Show SMILES Cn1c(c(\C=C2/Oc3cc(O)cc(O)c3C2=O)c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C24H17NO4/c1-25-18-10-6-5-9-16(18)17(23(25)14-7-3-2-4-8-14)13-21-24(28)22-19(27)11-15(26)12-20(22)29-21/h2-13,26-27H,1H3/b21-13-
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n/an/a 2.67E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


Bioorg Med Chem Lett 20: 2586-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50315466
PNG
(4,6-dihydroxy-2-((5-methoxy-1,2-dimethyl-1H-indol-...)
Show SMILES COc1ccc2n(C)c(C)c(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1
Show InChI InChI=1S/C20H17NO5/c1-10-13(14-8-12(25-3)4-5-15(14)21(10)2)9-18-20(24)19-16(23)6-11(22)7-17(19)26-18/h4-9,22-23H,1-3H3/b18-9-
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n/an/a 7n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


Bioorg Med Chem Lett 20: 2586-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50315437
PNG
(4,6-dihydroxy-2-((5-methoxy-1-methyl-1H-indol-3-yl...)
Show SMILES COc1ccc2n(C)cc(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1
Show InChI InChI=1S/C19H15NO5/c1-20-9-10(13-8-12(24-2)3-4-14(13)20)5-17-19(23)18-15(22)6-11(21)7-16(18)25-17/h3-9,21-22H,1-2H3/b17-5-
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n/an/a 106n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


Bioorg Med Chem Lett 20: 2586-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50314354
PNG
(4,6-dihydroxy-2-((1-methyl-1H-indol-3-yl)methylene...)
Show SMILES Cn1cc(\C=C2/Oc3cc(O)cc(O)c3C2=O)c2ccccc12
Show InChI InChI=1S/C18H13NO4/c1-19-9-10(12-4-2-3-5-13(12)19)6-16-18(22)17-14(21)7-11(20)8-15(17)23-16/h2-9,20-21H,1H3/b16-6-
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n/an/a 1.11E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


Bioorg Med Chem Lett 20: 2586-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50315452
PNG
(2-((1H-indol-3-yl)methylene)-4,6-dihydroxybenzofur...)
Show SMILES Oc1cc2O\C(=C/c3c[nH]c4ccccc34)C(=O)c2c(O)c1
Show InChI InChI=1S/C17H11NO4/c19-10-6-13(20)16-14(7-10)22-15(17(16)21)5-9-8-18-12-4-2-1-3-11(9)12/h1-8,18-20H/b15-5-
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n/an/a 6.75E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


Bioorg Med Chem Lett 20: 2586-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50315466
PNG
(4,6-dihydroxy-2-((5-methoxy-1,2-dimethyl-1H-indol-...)
Show SMILES COc1ccc2n(C)c(C)c(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1
Show InChI InChI=1S/C20H17NO5/c1-10-13(14-8-12(25-3)4-5-15(14)21(10)2)9-18-20(24)19-16(23)6-11(22)7-17(19)26-18/h4-9,22-23H,1-3H3/b18-9-
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n/an/a 54n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma


Bioorg Med Chem Lett 20: 2586-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50315437
PNG
(4,6-dihydroxy-2-((5-methoxy-1-methyl-1H-indol-3-yl...)
Show SMILES COc1ccc2n(C)cc(\C=C3/Oc4cc(O)cc(O)c4C3=O)c2c1
Show InChI InChI=1S/C19H15NO5/c1-20-9-10(13-8-12(24-2)3-4-14(13)20)5-17-19(23)18-15(22)6-11(21)7-16(18)25-17/h3-9,21-22H,1-2H3/b17-5-
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n/an/a 587n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma


Bioorg Med Chem Lett 20: 2586-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform


(Homo sapiens (Human))
BDBM50314354
PNG
(4,6-dihydroxy-2-((1-methyl-1H-indol-3-yl)methylene...)
Show SMILES Cn1cc(\C=C2/Oc3cc(O)cc(O)c3C2=O)c2ccccc12
Show InChI InChI=1S/C18H13NO4/c1-19-9-10(12-4-2-3-5-13(12)19)6-16-18(22)17-14(21)7-11(20)8-15(17)23-16/h2-9,20-21H,1H3/b16-6-
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n/an/a 6.95E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kgamma


Bioorg Med Chem Lett 20: 2586-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50314332
PNG
(4-hydroxy-2-((1-methyl-4-phenyl-1H-pyrrolo[2,3-b]p...)
Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccccc1
Show InChI InChI=1S/C23H16N2O3/c1-25-13-15(12-19-22(27)21-17(26)8-5-9-18(21)28-19)20-16(10-11-24-23(20)25)14-6-3-2-4-7-14/h2-13,26H,1H3/b19-12-
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n/an/a 3.5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 20: 2259-63 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.012
BindingDB Entry DOI: 10.7270/Q2TB1717
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50314332
PNG
(4-hydroxy-2-((1-methyl-4-phenyl-1H-pyrrolo[2,3-b]p...)
Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccccc1
Show InChI InChI=1S/C23H16N2O3/c1-25-13-15(12-19-22(27)21-17(26)8-5-9-18(21)28-19)20-16(10-11-24-23(20)25)14-6-3-2-4-7-14/h2-13,26H,1H3/b19-12-
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n/an/a 89n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


Bioorg Med Chem Lett 20: 2259-63 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.012
BindingDB Entry DOI: 10.7270/Q2TB1717
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50314354
PNG
(4,6-dihydroxy-2-((1-methyl-1H-indol-3-yl)methylene...)
Show SMILES Cn1cc(\C=C2/Oc3cc(O)cc(O)c3C2=O)c2ccccc12
Show InChI InChI=1S/C18H13NO4/c1-19-9-10(12-4-2-3-5-13(12)19)6-16-18(22)17-14(21)7-11(20)8-15(17)23-16/h2-9,20-21H,1H3/b16-6-
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n/an/a 1.11E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


Bioorg Med Chem Lett 20: 2321-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.135
BindingDB Entry DOI: 10.7270/Q2PK0G82
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50314357
PNG
(4,6-dihydroxy-2-((1-methyl-4-phenyl-1H-pyrrolo[2,3...)
Show SMILES Cn1cc(\C=C2/Oc3cc(O)cc(O)c3C2=O)c2c(ccnc12)-c1ccccc1
Show InChI InChI=1S/C23H16N2O4/c1-25-12-14(9-19-22(28)21-17(27)10-15(26)11-18(21)29-19)20-16(7-8-24-23(20)25)13-5-3-2-4-6-13/h2-12,26-27H,1H3/b19-9-
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n/an/a 63n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


Bioorg Med Chem Lett 20: 2321-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.135
BindingDB Entry DOI: 10.7270/Q2PK0G82
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50314332
PNG
(4-hydroxy-2-((1-methyl-4-phenyl-1H-pyrrolo[2,3-b]p...)
Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccccc1
Show InChI InChI=1S/C23H16N2O3/c1-25-13-15(12-19-22(27)21-17(26)8-5-9-18(21)28-19)20-16(10-11-24-23(20)25)14-6-3-2-4-7-14/h2-13,26H,1H3/b19-12-
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n/an/a 89n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


Bioorg Med Chem Lett 20: 2321-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.135
BindingDB Entry DOI: 10.7270/Q2PK0G82
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50314358
PNG
(6-hydroxy-2-((1-methyl-4-phenyl-1H-pyrrolo[2,3-b]p...)
Show SMILES Cn1cc(\C=C2/Oc3cc(O)ccc3C2=O)c2c(ccnc12)-c1ccccc1
Show InChI InChI=1S/C23H16N2O3/c1-25-13-15(11-20-22(27)18-8-7-16(26)12-19(18)28-20)21-17(9-10-24-23(21)25)14-5-3-2-4-6-14/h2-13,26H,1H3/b20-11-
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n/an/a 219n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


Bioorg Med Chem Lett 20: 2321-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.135
BindingDB Entry DOI: 10.7270/Q2PK0G82
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50314354
PNG
(4,6-dihydroxy-2-((1-methyl-1H-indol-3-yl)methylene...)
Show SMILES Cn1cc(\C=C2/Oc3cc(O)cc(O)c3C2=O)c2ccccc12
Show InChI InChI=1S/C18H13NO4/c1-19-9-10(12-4-2-3-5-13(12)19)6-16-18(22)17-14(21)7-11(20)8-15(17)23-16/h2-9,20-21H,1H3/b16-6-
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n/an/a 800n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 20: 2321-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.135
BindingDB Entry DOI: 10.7270/Q2PK0G82
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50314357
PNG
(4,6-dihydroxy-2-((1-methyl-4-phenyl-1H-pyrrolo[2,3...)
Show SMILES Cn1cc(\C=C2/Oc3cc(O)cc(O)c3C2=O)c2c(ccnc12)-c1ccccc1
Show InChI InChI=1S/C23H16N2O4/c1-25-12-14(9-19-22(28)21-17(27)10-15(26)11-18(21)29-19)20-16(7-8-24-23(20)25)13-5-3-2-4-6-13/h2-12,26-27H,1H3/b19-9-
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n/an/a 0.460n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 20: 2321-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.135
BindingDB Entry DOI: 10.7270/Q2PK0G82
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50314332
PNG
(4-hydroxy-2-((1-methyl-4-phenyl-1H-pyrrolo[2,3-b]p...)
Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccccc1
Show InChI InChI=1S/C23H16N2O3/c1-25-13-15(12-19-22(27)21-17(26)8-5-9-18(21)28-19)20-16(10-11-24-23(20)25)14-6-3-2-4-7-14/h2-13,26H,1H3/b19-12-
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n/an/a 3.5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 20: 2321-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.135
BindingDB Entry DOI: 10.7270/Q2PK0G82
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50314354
PNG
(4,6-dihydroxy-2-((1-methyl-1H-indol-3-yl)methylene...)
Show SMILES Cn1cc(\C=C2/Oc3cc(O)cc(O)c3C2=O)c2ccccc12
Show InChI InChI=1S/C18H13NO4/c1-19-9-10(12-4-2-3-5-13(12)19)6-16-18(22)17-14(21)7-11(20)8-15(17)23-16/h2-9,20-21H,1H3/b16-6-
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PubMed
n/an/a 800n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 20: 2586-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.082
BindingDB Entry DOI: 10.7270/Q2FQ9WRX
More data for this
Ligand-Target Pair