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PubMed code 20188552

Compile data set for download or QSAR
Found 75 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
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50314350
PNG
(2-((4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-meth...)
Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)N1CC2CCC(C1)O2
Show InChI InChI=1S/C23H21N3O4/c1-25-10-13(9-19-22(28)21-17(27)3-2-4-18(21)30-19)20-16(7-8-24-23(20)25)26-11-14-5-6-15(12-26)29-14/h2-4,7-10,14-15,27H,5-6,11-12H2,1H3/b19-9-
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n/an/a 0.380n/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
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50314367
PNG
(4-hydroxy-2-((4-(4-(4-(2-hydroxyethyl)piperazine-1...)
Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccc(cc1)C(=O)N1CCN(CCO)CC1
Show InChI InChI=1S/C30H28N4O5/c1-32-18-21(17-25-28(37)27-23(36)3-2-4-24(27)39-25)26-22(9-10-31-29(26)32)19-5-7-20(8-6-19)30(38)34-13-11-33(12-14-34)15-16-35/h2-10,17-18,35-36H,11-16H2,1H3/b25-17-
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n/an/a 0.390n/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
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
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50314361
PNG
((Z)-4-hydroxy-2-((1-methyl-4-(4-(morpholine-4-carb...)
Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccc(cc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C28H23N3O5/c1-30-16-19(15-23-26(33)25-21(32)3-2-4-22(25)36-23)24-20(9-10-29-27(24)30)17-5-7-18(8-6-17)28(34)31-11-13-35-14-12-31/h2-10,15-16,32H,11-14H2,1H3/b23-15-
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n/an/a 0.5n/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
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50314359
PNG
(4-(3-((4-hydroxy-3-oxobenzofuran-2(3H)-ylidene)met...)
Show SMILES CN(C)C(=O)c1ccc(cc1)-c1ccnc2n(C)cc(\C=C3/Oc4cccc(O)c4C3=O)c12
Show InChI InChI=1S/C26H21N3O4/c1-28(2)26(32)16-9-7-15(8-10-16)18-11-12-27-25-22(18)17(14-29(25)3)13-21-24(31)23-19(30)5-4-6-20(23)33-21/h4-14,30H,1-3H3/b21-13-
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n/an/a 0.550n/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
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50314363
PNG
((Z)-2-((4-(4-(8-oxa-3-azabicyclo[3.2.1]octane-3-ca...)
Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccc(cc1)C(=O)N1CC2CCC(C1)O2
Show InChI InChI=1S/C30H25N3O5/c1-32-14-19(13-25-28(35)27-23(34)3-2-4-24(27)38-25)26-22(11-12-31-29(26)32)17-5-7-18(8-6-17)30(36)33-15-20-9-10-21(16-33)37-20/h2-8,11-14,20-21,34H,9-10,15-16H2,1H3/b25-13-
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n/an/a 0.560n/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
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50314360
PNG
(1-(3-((4-hydroxy-3-oxobenzofuran-2(3H)-ylidene)met...)
Show SMILES CN(C)C(=O)C1CCN(CC1)c1ccnc2n(C)cc(\C=C3/Oc4cccc(O)c4C3=O)c12
Show InChI InChI=1S/C25H26N4O4/c1-27(2)25(32)15-8-11-29(12-9-15)17-7-10-26-24-21(17)16(14-28(24)3)13-20-23(31)22-18(30)5-4-6-19(22)33-20/h4-7,10,13-15,30H,8-9,11-12H2,1-3H3/b20-13-
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n/an/a 0.670n/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
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50314346
PNG
(1-(3-((4-hydroxy-3-oxobenzofuran-2(3H)-ylidene)met...)
Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)N1CCC(CC1)C(N)=O
Show InChI InChI=1S/C23H22N4O4/c1-26-12-14(11-18-21(29)20-16(28)3-2-4-17(20)31-18)19-15(5-8-25-23(19)26)27-9-6-13(7-10-27)22(24)30/h2-5,8,11-13,28H,6-7,9-10H2,1H3,(H2,24,30)/b18-11-
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n/an/a 0.720n/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
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50314353
PNG
((2Z)-4,6-dihydroxy-2-{[1-methyl-4-(4-methylpiperaz...)
Show SMILES CN1CCN(CC1)c1ccnc2n(C)cc(\C=C3/Oc4cc(O)cc(O)c4C3=O)c12
Show InChI InChI=1S/C22H22N4O4/c1-24-5-7-26(8-6-24)15-3-4-23-22-19(15)13(12-25(22)2)9-18-21(29)20-16(28)10-14(27)11-17(20)30-18/h3-4,9-12,27-28H,5-8H2,1-2H3/b18-9-
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n/an/a 0.940n/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
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50314365
PNG
(4-hydroxy-2-((1-methyl-4-(4-(4-methylpiperazine-1-...)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccnc2n(C)cc(\C=C3/Oc4cccc(O)c4C3=O)c12
Show InChI InChI=1S/C29H26N4O4/c1-31-12-14-33(15-13-31)29(36)19-8-6-18(7-9-19)21-10-11-30-28-25(21)20(17-32(28)2)16-24-27(35)26-22(34)4-3-5-23(26)37-24/h3-11,16-17,34H,12-15H2,1-2H3/b24-16-
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n/an/a 1n/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
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50314362
PNG
(4-hydroxy-2-((1-methyl-4-(4-(morpholine-4-carbonyl...)
Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)N1CCC(CC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C27H28N4O5/c1-29-16-18(15-22-25(33)24-20(32)3-2-4-21(24)36-22)23-19(5-8-28-26(23)29)30-9-6-17(7-10-30)27(34)31-11-13-35-14-12-31/h2-5,8,15-17,32H,6-7,9-14H2,1H3/b22-15-
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n/an/a 1.40n/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
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50314368
PNG
(4-hydroxy-2-((4-(4-(4-(2-hydroxyethyl)piperazine-1...)
Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)N1CCC(CC1)C(=O)N1CCN(CCO)CC1
Show InChI InChI=1S/C29H33N5O5/c1-31-18-20(17-24-27(37)26-22(36)3-2-4-23(26)39-24)25-21(5-8-30-28(25)31)33-9-6-19(7-10-33)29(38)34-13-11-32(12-14-34)15-16-35/h2-5,8,17-19,35-36H,6-7,9-16H2,1H3/b24-17-
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n/an/a 1.90n/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
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50314364
PNG
(2-((4-(4-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbon...)
Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)N1CCC(CC1)C(=O)N1CC2CCC(C1)O2
Show InChI InChI=1S/C29H30N4O5/c1-31-14-18(13-24-27(35)26-22(34)3-2-4-23(26)38-24)25-21(7-10-30-28(25)31)32-11-8-17(9-12-32)29(36)33-15-19-5-6-20(16-33)37-19/h2-4,7,10,13-14,17,19-20,34H,5-6,8-9,11-12,15-16H2,1H3/b24-13-
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n/an/a 2n/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
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50314351
PNG
(2-((4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1-meth...)
Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)N1C2CCC1COC2
Show InChI InChI=1S/C23H21N3O4/c1-25-10-13(9-19-22(28)21-17(27)3-2-4-18(21)30-19)20-16(7-8-24-23(20)25)26-14-5-6-15(26)12-29-11-14/h2-4,7-10,14-15,27H,5-6,11-12H2,1H3/b19-9-
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n/an/a 2.10n/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
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50314349
PNG
(4-hydroxy-2-((1-methyl-4-morpholino-1H-pyrrolo[2,3...)
Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)N1CCOCC1
Show InChI InChI=1S/C21H19N3O4/c1-23-12-13(11-17-20(26)19-15(25)3-2-4-16(19)28-17)18-14(5-6-22-21(18)23)24-7-9-27-10-8-24/h2-6,11-12,25H,7-10H2,1H3/b17-11-
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n/an/a 2.20n/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
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50314352
PNG
(4-hydroxy-2-((1-methyl-4-(4-methylpiperazin-1-yl)-...)
Show SMILES CN1CCN(CC1)c1ccnc2n(C)cc(\C=C3/Oc4cccc(O)c4C3=O)c12
Show InChI InChI=1S/C22H22N4O3/c1-24-8-10-26(11-9-24)15-6-7-23-22-19(15)14(13-25(22)2)12-18-21(28)20-16(27)4-3-5-17(20)29-18/h3-7,12-13,27H,8-11H2,1-2H3/b18-12-
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n/an/a 2.80n/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
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50314366
PNG
(4-hydroxy-2-((1-methyl-4-(4-(4-methylpiperazine-1-...)
Show SMILES CN1CCN(CC1)C(=O)C1CCN(CC1)c1ccnc2n(C)cc(\C=C3/Oc4cccc(O)c4C3=O)c12
Show InChI InChI=1S/C28H31N5O4/c1-30-12-14-33(15-13-30)28(36)18-7-10-32(11-8-18)20-6-9-29-27-24(20)19(17-31(27)2)16-23-26(35)25-21(34)4-3-5-22(25)37-23/h3-6,9,16-18,34H,7-8,10-15H2,1-2H3/b23-16-
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n/an/a 3.10n/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
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
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50314369
PNG
(2-((1-ethyl-4-(4-(4-(2-hydroxyethyl)piperazine-1-c...)
Show SMILES CCn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccc(cc1)C(=O)N1CCN(CCO)CC1
Show InChI InChI=1S/C31H30N4O5/c1-2-34-19-22(18-26-29(38)28-24(37)4-3-5-25(28)40-26)27-23(10-11-32-30(27)34)20-6-8-21(9-7-20)31(39)35-14-12-33(13-15-35)16-17-36/h3-11,18-19,36-37H,2,12-17H2,1H3/b26-18-
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n/an/a 4.60n/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
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50314344
PNG
(4-(3-((4-hydroxy-3-oxobenzofuran-2(3H)-ylidene)met...)
Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccc(cc1)C(=O)NCCO
Show InChI InChI=1S/C26H21N3O5/c1-29-14-17(13-21-24(32)23-19(31)3-2-4-20(23)34-21)22-18(9-10-27-25(22)29)15-5-7-16(8-6-15)26(33)28-11-12-30/h2-10,13-14,30-31H,11-12H2,1H3,(H,28,33)/b21-13-
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n/an/a 5.90n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


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


Article DOI: 10.1016/j.bmcl.2010.01.135
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50314344
PNG
(4-(3-((4-hydroxy-3-oxobenzofuran-2(3H)-ylidene)met...)
Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccc(cc1)C(=O)NCCO
Show InChI InChI=1S/C26H21N3O5/c1-29-14-17(13-21-24(32)23-19(31)3-2-4-20(23)34-21)22-18(9-10-27-25(22)29)15-5-7-16(8-6-15)26(33)28-11-12-30/h2-10,13-14,30-31H,11-12H2,1H3,(H,28,33)/b21-13-
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n/an/a 6.5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of MK2


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


Article DOI: 10.1016/j.bmcl.2010.01.135
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50314344
PNG
(4-(3-((4-hydroxy-3-oxobenzofuran-2(3H)-ylidene)met...)
Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccc(cc1)C(=O)NCCO
Show InChI InChI=1S/C26H21N3O5/c1-29-14-17(13-21-24(32)23-19(31)3-2-4-20(23)34-21)22-18(9-10-27-25(22)29)15-5-7-16(8-6-15)26(33)28-11-12-30/h2-10,13-14,30-31H,11-12H2,1H3,(H,28,33)/b21-13-
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n/an/a 9.70n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ABL1


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


Article DOI: 10.1016/j.bmcl.2010.01.135
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50314344
PNG
(4-(3-((4-hydroxy-3-oxobenzofuran-2(3H)-ylidene)met...)
Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccc(cc1)C(=O)NCCO
Show InChI InChI=1S/C26H21N3O5/c1-29-14-17(13-21-24(32)23-19(31)3-2-4-20(23)34-21)22-18(9-10-27-25(22)29)15-5-7-16(8-6-15)26(33)28-11-12-30/h2-10,13-14,30-31H,11-12H2,1H3,(H,28,33)/b21-13-
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n/an/a 11n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of GSK3alpha


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


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


(Homo sapiens (Human))
BDBM50314347
PNG
(2-((4-(4-(aminomethyl)piperidin-1-yl)-1-methyl-1H-...)
Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)N1CCC(CN)CC1
Show InChI InChI=1S/C23H24N4O3/c1-26-13-15(11-19-22(29)21-17(28)3-2-4-18(21)30-19)20-16(5-8-25-23(20)26)27-9-6-14(12-24)7-10-27/h2-5,8,11,13-14,28H,6-7,9-10,12,24H2,1H3/b19-11-
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n/an/a 17n/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
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50314370
PNG
(3-(3-((4-hydroxy-3-oxobenzofuran-2(3H)-ylidene)met...)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1ccnc2n(C)cc(\C=C3/Oc4cccc(O)c4C3=O)c12
Show InChI InChI=1S/C26H21N3O4/c1-28(2)26(32)16-7-4-6-15(12-16)18-10-11-27-25-22(18)17(14-29(25)3)13-21-24(31)23-19(30)8-5-9-20(23)33-21/h4-14,30H,1-3H3/b21-13-
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n/an/a 18n/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
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50314351
PNG
(2-((4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1-meth...)
Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)N1C2CCC1COC2
Show InChI InChI=1S/C23H21N3O4/c1-25-10-13(9-19-22(28)21-17(27)3-2-4-18(21)30-19)20-16(7-8-24-23(20)25)26-14-5-6-15(26)12-29-11-14/h2-4,7-10,14-15,27H,5-6,11-12H2,1H3/b19-9-
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n/an/a 19n/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
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
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50314348
PNG
(2-((4-(4-aminopiperidin-1-yl)-1-methyl-1H-pyrrolo[...)
Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)N1CCC(N)CC1
Show InChI InChI=1S/C22H22N4O3/c1-25-12-13(11-18-21(28)20-16(27)3-2-4-17(20)29-18)19-15(5-8-24-22(19)25)26-9-6-14(23)7-10-26/h2-5,8,11-12,14,27H,6-7,9-10,23H2,1H3/b18-11-
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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
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50314368
PNG
(4-hydroxy-2-((4-(4-(4-(2-hydroxyethyl)piperazine-1...)
Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)N1CCC(CC1)C(=O)N1CCN(CCO)CC1
Show InChI InChI=1S/C29H33N5O5/c1-31-18-20(17-24-27(37)26-22(36)3-2-4-23(26)39-24)25-21(5-8-30-28(25)31)33-9-6-19(7-10-33)29(38)34-13-11-32(12-14-34)15-16-35/h2-5,8,17-19,35-36H,6-7,9-16H2,1H3/b24-17-
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n/an/a 25n/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
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50314344
PNG
(4-(3-((4-hydroxy-3-oxobenzofuran-2(3H)-ylidene)met...)
Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccc(cc1)C(=O)NCCO
Show InChI InChI=1S/C26H21N3O5/c1-29-14-17(13-21-24(32)23-19(31)3-2-4-20(23)34-21)22-18(9-10-27-25(22)29)15-5-7-16(8-6-15)26(33)28-11-12-30/h2-10,13-14,30-31H,11-12H2,1H3,(H,28,33)/b21-13-
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n/an/a 28n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of LYN A


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


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


(Homo sapiens (Human))
BDBM50314346
PNG
(1-(3-((4-hydroxy-3-oxobenzofuran-2(3H)-ylidene)met...)
Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)N1CCC(CC1)C(N)=O
Show InChI InChI=1S/C23H22N4O4/c1-26-12-14(11-18-21(29)20-16(28)3-2-4-17(20)31-18)19-15(5-8-25-23(19)26)27-9-6-13(7-10-27)22(24)30/h2-5,8,11-13,28H,6-7,9-10H2,1H3,(H2,24,30)/b18-11-
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n/an/a 29n/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
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50314360
PNG
(1-(3-((4-hydroxy-3-oxobenzofuran-2(3H)-ylidene)met...)
Show SMILES CN(C)C(=O)C1CCN(CC1)c1ccnc2n(C)cc(\C=C3/Oc4cccc(O)c4C3=O)c12
Show InChI InChI=1S/C25H26N4O4/c1-27(2)25(32)15-8-11-29(12-9-15)17-7-10-26-24-21(17)16(14-28(24)3)13-20-23(31)22-18(30)5-4-6-19(22)33-20/h4-7,10,13-15,30H,8-9,11-12H2,1-3H3/b20-13-
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n/an/a 30n/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
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50314355
PNG
(4,6-dihydroxy-2-((1-methyl-4-phenyl-1H-indol-3-yl)...)
Show SMILES Cn1cc(\C=C2/Oc3cc(O)cc(O)c3C2=O)c2c(cccc12)-c1ccccc1
Show InChI InChI=1S/C24H17NO4/c1-25-13-15(10-21-24(28)23-19(27)11-16(26)12-20(23)29-21)22-17(8-5-9-18(22)25)14-6-3-2-4-7-14/h2-13,26-27H,1H3/b21-10-
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n/an/a 33n/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
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50314344
PNG
(4-(3-((4-hydroxy-3-oxobenzofuran-2(3H)-ylidene)met...)
Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccc(cc1)C(=O)NCCO
Show InChI InChI=1S/C26H21N3O5/c1-29-14-17(13-21-24(32)23-19(31)3-2-4-20(23)34-21)22-18(9-10-27-25(22)29)15-5-7-16(8-6-15)26(33)28-11-12-30/h2-10,13-14,30-31H,11-12H2,1H3,(H,28,33)/b21-13-
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n/an/a 36n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK2


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


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


(Homo sapiens (Human))
BDBM50314359
PNG
(4-(3-((4-hydroxy-3-oxobenzofuran-2(3H)-ylidene)met...)
Show SMILES CN(C)C(=O)c1ccc(cc1)-c1ccnc2n(C)cc(\C=C3/Oc4cccc(O)c4C3=O)c12
Show InChI InChI=1S/C26H21N3O4/c1-28(2)26(32)16-9-7-15(8-10-16)18-11-12-27-25-22(18)17(14-29(25)3)13-21-24(31)23-19(30)5-4-6-20(23)33-21/h4-14,30H,1-3H3/b21-13-
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n/an/a 36n/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
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM50314344
PNG
(4-(3-((4-hydroxy-3-oxobenzofuran-2(3H)-ylidene)met...)
Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccc(cc1)C(=O)NCCO
Show InChI InChI=1S/C26H21N3O5/c1-29-14-17(13-21-24(32)23-19(31)3-2-4-20(23)34-21)22-18(9-10-27-25(22)29)15-5-7-16(8-6-15)26(33)28-11-12-30/h2-10,13-14,30-31H,11-12H2,1H3,(H,28,33)/b21-13-
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n/an/a 39n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK1


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


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


(Homo sapiens (Human))
BDBM50314366
PNG
(4-hydroxy-2-((1-methyl-4-(4-(4-methylpiperazine-1-...)
Show SMILES CN1CCN(CC1)C(=O)C1CCN(CC1)c1ccnc2n(C)cc(\C=C3/Oc4cccc(O)c4C3=O)c12
Show InChI InChI=1S/C28H31N5O4/c1-30-12-14-33(15-13-30)28(36)18-7-10-32(11-8-18)20-6-9-29-27-24(20)19(17-31(27)2)16-23-26(35)25-21(34)4-3-5-22(25)37-23/h3-6,9,16-18,34H,7-8,10-15H2,1-2H3/b23-16-
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n/an/a 39n/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
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50314356
PNG
(4,6-dihydroxy-2-((1-methyl-1H-pyrrolo[2,3-b]pyridi...)
Show SMILES Cn1cc(\C=C2/Oc3cc(O)cc(O)c3C2=O)c2cccnc12
Show InChI InChI=1S/C17H12N2O4/c1-19-8-9(11-3-2-4-18-17(11)19)5-14-16(22)15-12(21)6-10(20)7-13(15)23-14/h2-8,20-21H,1H3/b14-5-
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n/an/a 42n/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
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50314353
PNG
((2Z)-4,6-dihydroxy-2-{[1-methyl-4-(4-methylpiperaz...)
Show SMILES CN1CCN(CC1)c1ccnc2n(C)cc(\C=C3/Oc4cc(O)cc(O)c4C3=O)c12
Show InChI InChI=1S/C22H22N4O4/c1-24-5-7-26(8-6-24)15-3-4-23-22-19(15)13(12-25(22)2)9-18-21(29)20-16(28)10-14(27)11-17(20)30-18/h3-4,9-12,27-28H,5-8H2,1-2H3/b18-9-
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n/an/a 43n/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
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 1


(Homo sapiens (Human))
BDBM50314344
PNG
(4-(3-((4-hydroxy-3-oxobenzofuran-2(3H)-ylidene)met...)
Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccc(cc1)C(=O)NCCO
Show InChI InChI=1S/C26H21N3O5/c1-29-14-17(13-21-24(32)23-19(31)3-2-4-20(23)34-21)22-18(9-10-27-25(22)29)15-5-7-16(8-6-15)26(33)28-11-12-30/h2-10,13-14,30-31H,11-12H2,1H3,(H,28,33)/b21-13-
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n/an/a 46n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of RSK1


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


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


(Homo sapiens (Human))
BDBM50314361
PNG
((Z)-4-hydroxy-2-((1-methyl-4-(4-(morpholine-4-carb...)
Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccc(cc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C28H23N3O5/c1-30-16-19(15-23-26(33)25-21(32)3-2-4-22(25)36-23)24-20(9-10-29-27(24)30)17-5-7-18(8-6-17)28(34)31-11-13-35-14-12-31/h2-10,15-16,32H,11-14H2,1H3/b23-15-
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n/an/a 49n/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
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))
BDBM50314344
PNG
(4-(3-((4-hydroxy-3-oxobenzofuran-2(3H)-ylidene)met...)
Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccc(cc1)C(=O)NCCO
Show InChI InChI=1S/C26H21N3O5/c1-29-14-17(13-21-24(32)23-19(31)3-2-4-20(23)34-21)22-18(9-10-27-25(22)29)15-5-7-16(8-6-15)26(33)28-11-12-30/h2-10,13-14,30-31H,11-12H2,1H3,(H,28,33)/b21-13-
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n/an/a 50n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


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


Article DOI: 10.1016/j.bmcl.2010.01.135
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (Human))
BDBM50314344
PNG
(4-(3-((4-hydroxy-3-oxobenzofuran-2(3H)-ylidene)met...)
Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccc(cc1)C(=O)NCCO
Show InChI InChI=1S/C26H21N3O5/c1-29-14-17(13-21-24(32)23-19(31)3-2-4-20(23)34-21)22-18(9-10-27-25(22)29)15-5-7-16(8-6-15)26(33)28-11-12-30/h2-10,13-14,30-31H,11-12H2,1H3,(H,28,33)/b21-13-
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n/an/a 50n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of IKKalpha


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


Article DOI: 10.1016/j.bmcl.2010.01.135
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50314344
PNG
(4-(3-((4-hydroxy-3-oxobenzofuran-2(3H)-ylidene)met...)
Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccc(cc1)C(=O)NCCO
Show InChI InChI=1S/C26H21N3O5/c1-29-14-17(13-21-24(32)23-19(31)3-2-4-20(23)34-21)22-18(9-10-27-25(22)29)15-5-7-16(8-6-15)26(33)28-11-12-30/h2-10,13-14,30-31H,11-12H2,1H3,(H,28,33)/b21-13-
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n/an/a 50n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of FGFR1


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


Article DOI: 10.1016/j.bmcl.2010.01.135
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50314344
PNG
(4-(3-((4-hydroxy-3-oxobenzofuran-2(3H)-ylidene)met...)
Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccc(cc1)C(=O)NCCO
Show InChI InChI=1S/C26H21N3O5/c1-29-14-17(13-21-24(32)23-19(31)3-2-4-20(23)34-21)22-18(9-10-27-25(22)29)15-5-7-16(8-6-15)26(33)28-11-12-30/h2-10,13-14,30-31H,11-12H2,1H3,(H,28,33)/b21-13-
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n/an/a 50n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of P38alpha


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


Article DOI: 10.1016/j.bmcl.2010.01.135
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50314344
PNG
(4-(3-((4-hydroxy-3-oxobenzofuran-2(3H)-ylidene)met...)
Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccc(cc1)C(=O)NCCO
Show InChI InChI=1S/C26H21N3O5/c1-29-14-17(13-21-24(32)23-19(31)3-2-4-20(23)34-21)22-18(9-10-27-25(22)29)15-5-7-16(8-6-15)26(33)28-11-12-30/h2-10,13-14,30-31H,11-12H2,1H3,(H,28,33)/b21-13-
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n/an/a 50n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PKCalpha


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


Article DOI: 10.1016/j.bmcl.2010.01.135
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50314344
PNG
(4-(3-((4-hydroxy-3-oxobenzofuran-2(3H)-ylidene)met...)
Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccc(cc1)C(=O)NCCO
Show InChI InChI=1S/C26H21N3O5/c1-29-14-17(13-21-24(32)23-19(31)3-2-4-20(23)34-21)22-18(9-10-27-25(22)29)15-5-7-16(8-6-15)26(33)28-11-12-30/h2-10,13-14,30-31H,11-12H2,1H3,(H,28,33)/b21-13-
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n/an/a 50n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ERK2


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


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


(Homo sapiens (Human))
BDBM50314364
PNG
(2-((4-(4-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbon...)
Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)N1CCC(CC1)C(=O)N1CC2CCC(C1)O2
Show InChI InChI=1S/C29H30N4O5/c1-31-14-18(13-24-27(35)26-22(34)3-2-4-23(26)38-24)25-21(7-10-30-28(25)31)32-11-8-17(9-12-32)29(36)33-15-19-5-6-20(16-33)37-19/h2-4,7,10,13-14,17,19-20,34H,5-6,8-9,11-12,15-16H2,1H3/b24-13-
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n/an/a 52n/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
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50314349
PNG
(4-hydroxy-2-((1-methyl-4-morpholino-1H-pyrrolo[2,3...)
Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)N1CCOCC1
Show InChI InChI=1S/C21H19N3O4/c1-23-12-13(11-17-20(26)19-15(25)3-2-4-16(19)28-17)18-14(5-6-22-21(18)23)24-7-9-27-10-8-24/h2-6,11-12,25H,7-10H2,1H3/b17-11-
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n/an/a 53n/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
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50314363
PNG
((Z)-2-((4-(4-(8-oxa-3-azabicyclo[3.2.1]octane-3-ca...)
Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccc(cc1)C(=O)N1CC2CCC(C1)O2
Show InChI InChI=1S/C30H25N3O5/c1-32-14-19(13-25-28(35)27-23(34)3-2-4-24(27)38-25)26-22(11-12-31-29(26)32)17-5-7-18(8-6-17)30(36)33-15-20-9-10-21(16-33)37-20/h2-8,11-14,20-21,34H,9-10,15-16H2,1H3/b25-13-
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n/an/a 57n/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
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
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50314362
PNG
(4-hydroxy-2-((1-methyl-4-(4-(morpholine-4-carbonyl...)
Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)N1CCC(CC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C27H28N4O5/c1-29-16-18(15-22-25(33)24-20(32)3-2-4-21(24)36-22)23-19(5-8-28-26(23)29)30-9-6-17(7-10-30)27(34)31-11-13-35-14-12-31/h2-5,8,15-17,32H,6-7,9-14H2,1H3/b22-15-
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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
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50314365
PNG
(4-hydroxy-2-((1-methyl-4-(4-(4-methylpiperazine-1-...)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccnc2n(C)cc(\C=C3/Oc4cccc(O)c4C3=O)c12
Show InChI InChI=1S/C29H26N4O4/c1-31-12-14-33(15-13-31)29(36)19-8-6-18(7-9-19)21-10-11-30-28-25(21)20(17-32(28)2)16-24-27(35)26-22(34)4-3-5-23(26)37-24/h3-11,16-17,34H,12-15H2,1-2H3/b24-16-
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n/an/a 70n/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
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50314356
PNG
(4,6-dihydroxy-2-((1-methyl-1H-pyrrolo[2,3-b]pyridi...)
Show SMILES Cn1cc(\C=C2/Oc3cc(O)cc(O)c3C2=O)c2cccnc12
Show InChI InChI=1S/C17H12N2O4/c1-19-8-9(11-3-2-4-18-17(11)19)5-14-16(22)15-12(21)6-10(20)7-13(15)23-14/h2-8,20-21H,1H3/b14-5-
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n/an/a 77n/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
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
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50314367
PNG
(4-hydroxy-2-((4-(4-(4-(2-hydroxyethyl)piperazine-1...)
Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccc(cc1)C(=O)N1CCN(CCO)CC1
Show InChI InChI=1S/C30H28N4O5/c1-32-18-21(17-25-28(37)27-23(36)3-2-4-24(27)39-25)26-22(9-10-31-29(26)32)19-5-7-20(8-6-19)30(38)34-13-11-33(12-14-34)15-16-35/h2-10,17-18,35-36H,11-16H2,1H3/b25-17-
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n/an/a 100n/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
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50314350
PNG
(2-((4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-meth...)
Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)N1CC2CCC(C1)O2
Show InChI InChI=1S/C23H21N3O4/c1-25-10-13(9-19-22(28)21-17(27)3-2-4-18(21)30-19)20-16(7-8-24-23(20)25)26-11-14-5-6-15(12-26)29-14/h2-4,7-10,14-15,27H,5-6,11-12H2,1H3/b19-9-
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n/an/a 104n/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
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50314348
PNG
(2-((4-(4-aminopiperidin-1-yl)-1-methyl-1H-pyrrolo[...)
Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)N1CCC(N)CC1
Show InChI InChI=1S/C22H22N4O3/c1-25-12-13(11-18-21(28)20-16(27)3-2-4-17(20)29-18)19-15(5-8-24-22(19)25)26-9-6-14(23)7-10-26/h2-5,8,11-12,14,27H,6-7,9-10,23H2,1H3/b18-11-
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n/an/a 119n/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
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50314347
PNG
(2-((4-(4-(aminomethyl)piperidin-1-yl)-1-methyl-1H-...)
Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)N1CCC(CN)CC1
Show InChI InChI=1S/C23H24N4O3/c1-26-13-15(11-19-22(29)21-17(28)3-2-4-18(21)30-19)20-16(5-8-25-23(20)26)27-9-6-14(12-24)7-10-27/h2-5,8,11,13-14,28H,6-7,9-10,12,24H2,1H3/b19-11-
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n/an/a 155n/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
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50314352
PNG
(4-hydroxy-2-((1-methyl-4-(4-methylpiperazin-1-yl)-...)
Show SMILES CN1CCN(CC1)c1ccnc2n(C)cc(\C=C3/Oc4cccc(O)c4C3=O)c12
Show InChI InChI=1S/C22H22N4O3/c1-24-8-10-26(11-9-24)15-6-7-23-22-19(15)14(13-25(22)2)12-18-21(28)20-16(27)4-3-5-17(20)29-18/h3-7,12-13,27H,8-11H2,1-2H3/b18-12-
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n/an/a 173n/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
More data for this
Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50314345
PNG
(2-(3-((4-hydroxy-3-oxobenzofuran-2(3H)-ylidene)met...)
Show SMILES CN(C)C(=O)c1ccccc1-c1ccnc2n(C)cc(\C=C3/Oc4cccc(O)c4C3=O)c12
Show InChI InChI=1S/C26H21N3O4/c1-28(2)26(32)18-8-5-4-7-16(18)17-11-12-27-25-22(17)15(14-29(25)3)13-21-24(31)23-19(30)9-6-10-20(23)33-21/h4-14,30H,1-3H3/b21-13-
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n/an/a 180n/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
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
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50314370
PNG
(3-(3-((4-hydroxy-3-oxobenzofuran-2(3H)-ylidene)met...)
Show SMILES CN(C)C(=O)c1cccc(c1)-c1ccnc2n(C)cc(\C=C3/Oc4cccc(O)c4C3=O)c12
Show InChI InChI=1S/C26H21N3O4/c1-28(2)26(32)16-7-4-6-15(12-16)18-10-11-27-25-22(18)17(14-29(25)3)13-21-24(31)23-19(30)8-5-9-20(23)33-21/h4-14,30H,1-3H3/b21-13-
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n/an/a 369n/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
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50314369
PNG
(2-((1-ethyl-4-(4-(4-(2-hydroxyethyl)piperazine-1-c...)
Show SMILES CCn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccc(cc1)C(=O)N1CCN(CCO)CC1
Show InChI InChI=1S/C31H30N4O5/c1-2-34-19-22(18-26-29(38)28-24(37)4-3-5-25(28)40-26)27-23(10-11-32-30(27)34)20-6-8-21(9-7-20)31(39)35-14-12-33(13-15-35)16-17-36/h3-11,18-19,36-37H,2,12-17H2,1H3/b26-18-
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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
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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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
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
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50314355
PNG
(4,6-dihydroxy-2-((1-methyl-4-phenyl-1H-indol-3-yl)...)
Show SMILES Cn1cc(\C=C2/Oc3cc(O)cc(O)c3C2=O)c2c(cccc12)-c1ccccc1
Show InChI InChI=1S/C24H17NO4/c1-25-13-15(10-21-24(28)23-19(27)11-16(26)12-20(23)29-21)22-17(8-5-9-18(22)25)14-6-3-2-4-7-14/h2-13,26-27H,1H3/b21-10-
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n/an/a 1.48E+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
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50314345
PNG
(2-(3-((4-hydroxy-3-oxobenzofuran-2(3H)-ylidene)met...)
Show SMILES CN(C)C(=O)c1ccccc1-c1ccnc2n(C)cc(\C=C3/Oc4cccc(O)c4C3=O)c12
Show InChI InChI=1S/C26H21N3O4/c1-28(2)26(32)18-8-5-4-7-16(18)17-11-12-27-25-22(17)15(14-29(25)3)13-21-24(31)23-19(30)9-6-10-20(23)33-21/h4-14,30H,1-3H3/b21-13-
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n/an/a 5.90E+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
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50314344
PNG
(4-(3-((4-hydroxy-3-oxobenzofuran-2(3H)-ylidene)met...)
Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccc(cc1)C(=O)NCCO
Show InChI InChI=1S/C26H21N3O5/c1-29-14-17(13-21-24(32)23-19(31)3-2-4-20(23)34-21)22-18(9-10-27-25(22)29)15-5-7-16(8-6-15)26(33)28-11-12-30/h2-10,13-14,30-31H,11-12H2,1H3,(H,28,33)/b21-13-
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n/an/a 2.22E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Aurora B


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


Article DOI: 10.1016/j.bmcl.2010.01.135
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM50314344
PNG
(4-(3-((4-hydroxy-3-oxobenzofuran-2(3H)-ylidene)met...)
Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccc(cc1)C(=O)NCCO
Show InChI InChI=1S/C26H21N3O5/c1-29-14-17(13-21-24(32)23-19(31)3-2-4-20(23)34-21)22-18(9-10-27-25(22)29)15-5-7-16(8-6-15)26(33)28-11-12-30/h2-10,13-14,30-31H,11-12H2,1H3,(H,28,33)/b21-13-
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n/an/a 2.71E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of HCK


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


Article DOI: 10.1016/j.bmcl.2010.01.135
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50314344
PNG
(4-(3-((4-hydroxy-3-oxobenzofuran-2(3H)-ylidene)met...)
Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccc(cc1)C(=O)NCCO
Show InChI InChI=1S/C26H21N3O5/c1-29-14-17(13-21-24(32)23-19(31)3-2-4-20(23)34-21)22-18(9-10-27-25(22)29)15-5-7-16(8-6-15)26(33)28-11-12-30/h2-10,13-14,30-31H,11-12H2,1H3,(H,28,33)/b21-13-
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n/an/a 5.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha


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


Article DOI: 10.1016/j.bmcl.2010.01.135
More data for this
Ligand-Target Pair
Rho-associated protein kinase 1


(Homo sapiens (Human))
BDBM50314344
PNG
(4-(3-((4-hydroxy-3-oxobenzofuran-2(3H)-ylidene)met...)
Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccc(cc1)C(=O)NCCO
Show InChI InChI=1S/C26H21N3O5/c1-29-14-17(13-21-24(32)23-19(31)3-2-4-20(23)34-21)22-18(9-10-27-25(22)29)15-5-7-16(8-6-15)26(33)28-11-12-30/h2-10,13-14,30-31H,11-12H2,1H3,(H,28,33)/b21-13-
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n/an/a 5.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of ROCK1


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


Article DOI: 10.1016/j.bmcl.2010.01.135
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50314344
PNG
(4-(3-((4-hydroxy-3-oxobenzofuran-2(3H)-ylidene)met...)
Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccc(cc1)C(=O)NCCO
Show InChI InChI=1S/C26H21N3O5/c1-29-14-17(13-21-24(32)23-19(31)3-2-4-20(23)34-21)22-18(9-10-27-25(22)29)15-5-7-16(8-6-15)26(33)28-11-12-30/h2-10,13-14,30-31H,11-12H2,1H3,(H,28,33)/b21-13-
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n/an/a 5.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of cMet


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


Article DOI: 10.1016/j.bmcl.2010.01.135
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 2


(Homo sapiens (Human))
BDBM50314344
PNG
(4-(3-((4-hydroxy-3-oxobenzofuran-2(3H)-ylidene)met...)
Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccc(cc1)C(=O)NCCO
Show InChI InChI=1S/C26H21N3O5/c1-29-14-17(13-21-24(32)23-19(31)3-2-4-20(23)34-21)22-18(9-10-27-25(22)29)15-5-7-16(8-6-15)26(33)28-11-12-30/h2-10,13-14,30-31H,11-12H2,1H3,(H,28,33)/b21-13-
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of GCK


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


Article DOI: 10.1016/j.bmcl.2010.01.135
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50314344
PNG
(4-(3-((4-hydroxy-3-oxobenzofuran-2(3H)-ylidene)met...)
Show SMILES Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccc(cc1)C(=O)NCCO
Show InChI InChI=1S/C26H21N3O5/c1-29-14-17(13-21-24(32)23-19(31)3-2-4-20(23)34-21)22-18(9-10-27-25(22)29)15-5-7-16(8-6-15)26(33)28-11-12-30/h2-10,13-14,30-31H,11-12H2,1H3,(H,28,33)/b21-13-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of SRC


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


Article DOI: 10.1016/j.bmcl.2010.01.135
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%