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Compile Data Set for Download or QSAR

Found 38 hits with Last Name = 'lien' and Initial = 'st'   
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
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM7459
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
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Article
PubMed
n/an/a 179n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-tagged recombinant human full length MNK1 expressed in insect cells


Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00516
BindingDB Entry DOI: 10.7270/Q28G8QCK
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM23415
PNG
(5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one...)
Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-8,17-18H,1H3
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n/an/a 210n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant N-terminal GST/His6-tagged human FLT3 ITD mutant (571 to 993 residues) expressed in Sf9 insect cells incubated for 1 hr by ...


Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00589
BindingDB Entry DOI: 10.7270/Q2QN6BKQ
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50049395
PNG
(5,7,4'-Trihydroxy-6-methoxyflavone | 5,7-Dihydroxy...)
Show SMILES COc1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)cc1
Show InChI InChI=1S/C16H12O6/c1-21-16-11(19)7-13-14(15(16)20)10(18)6-12(22-13)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3
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n/an/a 230n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant His-tagged human FLT3 D835Y mutant (564 to 958 residues) expressed in baculovirus expression system using tyr 02 as substra...


Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00589
BindingDB Entry DOI: 10.7270/Q2QN6BKQ
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50049395
PNG
(5,7,4'-Trihydroxy-6-methoxyflavone | 5,7-Dihydroxy...)
Show SMILES COc1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)cc1
Show InChI InChI=1S/C16H12O6/c1-21-16-11(19)7-13-14(15(16)20)10(18)6-12(22-13)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3
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n/an/a 252n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged recombinant human full length MNK2 expressed in baculovirus expression system incubated for 1 hr by Kinase Tracer...


Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00516
BindingDB Entry DOI: 10.7270/Q28G8QCK
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50092613
PNG
(Salvigenin)
Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(O)c(OC)c(OC)cc2o1
Show InChI InChI=1S/C18H16O6/c1-21-11-6-4-10(5-7-11)13-8-12(19)16-14(24-13)9-15(22-2)18(23-3)17(16)20/h4-9,20H,1-3H3
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n/an/a 290n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant His-tagged human FLT3 D835Y mutant (564 to 958 residues) expressed in baculovirus expression system using tyr 02 as substra...


Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00589
BindingDB Entry DOI: 10.7270/Q2QN6BKQ
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM7458
PNG
(5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
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n/an/a 308n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged recombinant human full length MNK2 expressed in baculovirus expression system incubated for 1 hr by Kinase Tracer...


Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00516
BindingDB Entry DOI: 10.7270/Q28G8QCK
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50049395
PNG
(5,7,4'-Trihydroxy-6-methoxyflavone | 5,7-Dihydroxy...)
Show SMILES COc1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)cc1
Show InChI InChI=1S/C16H12O6/c1-21-16-11(19)7-13-14(15(16)20)10(18)6-12(22-13)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3
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n/an/a 390n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant N-terminal GST/His6-tagged human FLT3 ITD mutant (571 to 993 residues) expressed in Sf9 insect cells incubated for 1 hr by ...


Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00589
BindingDB Entry DOI: 10.7270/Q2QN6BKQ
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50049395
PNG
(5,7,4'-Trihydroxy-6-methoxyflavone | 5,7-Dihydroxy...)
Show SMILES COc1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)cc1
Show InChI InChI=1S/C16H12O6/c1-21-16-11(19)7-13-14(15(16)20)10(18)6-12(22-13)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3
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n/an/a 440n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant His-tagged human FLT3 (564 to 958 residues) expressed in baculovirus expression system using tyr 02 as substrate incubated ...


Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00589
BindingDB Entry DOI: 10.7270/Q2QN6BKQ
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50092613
PNG
(Salvigenin)
Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(O)c(OC)c(OC)cc2o1
Show InChI InChI=1S/C18H16O6/c1-21-11-6-4-10(5-7-11)13-8-12(19)16-14(24-13)9-15(22-2)18(23-3)17(16)20/h4-9,20H,1-3H3
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n/an/a 550n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant His-tagged human FLT3 (564 to 958 residues) expressed in baculovirus expression system using tyr 02 as substrate incubated ...


Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00589
BindingDB Entry DOI: 10.7270/Q2QN6BKQ
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM7459
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
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n/an/a 579n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged recombinant human full length MNK2 expressed in baculovirus expression system incubated for 1 hr by Kinase Tracer...


Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00516
BindingDB Entry DOI: 10.7270/Q28G8QCK
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50092613
PNG
(Salvigenin)
Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(O)c(OC)c(OC)cc2o1
Show InChI InChI=1S/C18H16O6/c1-21-11-6-4-10(5-7-11)13-8-12(19)16-14(24-13)9-15(22-2)18(23-3)17(16)20/h4-9,20H,1-3H3
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n/an/a 580n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant N-terminal GST/His6-tagged human FLT3 ITD mutant (571 to 993 residues) expressed in Sf9 insect cells incubated for 1 hr by ...


Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00589
BindingDB Entry DOI: 10.7270/Q2QN6BKQ
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50064896
PNG
(4,5-Dihydroxy-6-methoxy-2-(4-methoxy-phenyl)-chrom...)
Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(O)c(OC)c(O)cc2o1
Show InChI InChI=1S/C17H14O6/c1-21-10-5-3-9(4-6-10)13-7-11(18)15-14(23-13)8-12(19)17(22-2)16(15)20/h3-8,19-20H,1-2H3
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n/an/a 580n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant His-tagged human FLT3 D835Y mutant (564 to 958 residues) expressed in baculovirus expression system using tyr 02 as substra...


Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00589
BindingDB Entry DOI: 10.7270/Q2QN6BKQ
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50064896
PNG
(4,5-Dihydroxy-6-methoxy-2-(4-methoxy-phenyl)-chrom...)
Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(O)c(OC)c(O)cc2o1
Show InChI InChI=1S/C17H14O6/c1-21-10-5-3-9(4-6-10)13-7-11(18)15-14(23-13)8-12(19)17(22-2)16(15)20/h3-8,19-20H,1-2H3
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n/an/a 650n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant His-tagged human FLT3 (564 to 958 residues) expressed in baculovirus expression system using tyr 02 as substrate incubated ...


Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00589
BindingDB Entry DOI: 10.7270/Q2QN6BKQ
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM23415
PNG
(5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one...)
Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-8,17-18H,1H3
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n/an/a 880n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant His-tagged human FLT3 (564 to 958 residues) expressed in baculovirus expression system using tyr 02 as substrate incubated ...


Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00589
BindingDB Entry DOI: 10.7270/Q2QN6BKQ
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50064896
PNG
(4,5-Dihydroxy-6-methoxy-2-(4-methoxy-phenyl)-chrom...)
Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(O)c(OC)c(O)cc2o1
Show InChI InChI=1S/C17H14O6/c1-21-10-5-3-9(4-6-10)13-7-11(18)15-14(23-13)8-12(19)17(22-2)16(15)20/h3-8,19-20H,1-2H3
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n/an/a 880n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant N-terminal GST/His6-tagged human FLT3 ITD mutant (571 to 993 residues) expressed in Sf9 insect cells incubated for 1 hr by ...


Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00589
BindingDB Entry DOI: 10.7270/Q2QN6BKQ
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50187658
PNG
(4',5-dihydroxy-7-methoxy flavone | 4',5-dihydroxy-...)
Show SMILES COc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)cc1
Show InChI InChI=1S/C16H12O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3
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n/an/a 979n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged recombinant human full length MNK2 expressed in baculovirus expression system incubated for 1 hr by Kinase Tracer...


Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00516
BindingDB Entry DOI: 10.7270/Q28G8QCK
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM23415
PNG
(5,7-dihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one...)
Show SMILES COc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-8,17-18H,1H3
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n/an/a 1.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant His-tagged human FLT3 D835Y mutant (564 to 958 residues) expressed in baculovirus expression system using tyr 02 as substra...


Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00589
BindingDB Entry DOI: 10.7270/Q2QN6BKQ
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50344054
PNG
(3',5-dihydroxy-4',6,7-trimethoxy flavone | 6-metho...)
Show SMILES COc1ccc(cc1O)-c1cc(=O)c2c(O)c(OC)c(OC)cc2o1
Show InChI InChI=1S/C18H16O7/c1-22-12-5-4-9(6-10(12)19)13-7-11(20)16-14(25-13)8-15(23-2)18(24-3)17(16)21/h4-8,19,21H,1-3H3
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n/an/a 1.10E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant His-tagged human FLT3 (564 to 958 residues) expressed in baculovirus expression system using tyr 02 as substrate incubated ...


Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00589
BindingDB Entry DOI: 10.7270/Q2QN6BKQ
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50049395
PNG
(5,7,4'-Trihydroxy-6-methoxyflavone | 5,7-Dihydroxy...)
Show SMILES COc1c(O)cc2oc(cc(=O)c2c1O)-c1ccc(O)cc1
Show InChI InChI=1S/C16H12O6/c1-21-16-11(19)7-13-14(15(16)20)10(18)6-12(22-13)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3
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n/an/a 1.21E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GST-tagged recombinant human full length MNK1 expressed in insect cells


Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00516
BindingDB Entry DOI: 10.7270/Q28G8QCK
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50187658
PNG
(4',5-dihydroxy-7-methoxy flavone | 4',5-dihydroxy-...)
Show SMILES COc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)cc1
Show InChI InChI=1S/C16H12O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3
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n/an/a 1.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant His-tagged human FLT3 (564 to 958 residues) expressed in baculovirus expression system using tyr 02 as substrate incubated ...


Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00589
BindingDB Entry DOI: 10.7270/Q2QN6BKQ
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50554183
PNG
(CHEBI:75162 | CHEMBL77588)
Show SMILES COc1ccc(cc1O)-c1oc2cc(OC)c(OC)c(O)c2c(=O)c1O
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n/an/a 1.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged recombinant human full length MNK2 expressed in baculovirus expression system incubated for 1 hr by Kinase Tracer...


Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00516
BindingDB Entry DOI: 10.7270/Q28G8QCK
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50554187
PNG
(CHEMBL4097277)
Show SMILES COc1cc(O)c(C(=O)\C=C\c2ccc(cc2)C(O)=O)c(OC)c1
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n/an/a 3.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged recombinant human full length MNK2 expressed in baculovirus expression system incubated for 1 hr by Kinase Tracer...


Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00516
BindingDB Entry DOI: 10.7270/Q28G8QCK
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50554186
PNG
(CHEMBL4747606)
Show SMILES COc1ccc(cc1)C(=O)\C=C\c1ccc(O)c(Br)c1
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n/an/a 4.67E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged recombinant human full length MNK2 expressed in baculovirus expression system incubated for 1 hr by Kinase Tracer...


Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00516
BindingDB Entry DOI: 10.7270/Q28G8QCK
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50554185
PNG
(CHEMBL4740978)
Show SMILES Oc1c(oc2ccc(Cl)cc2c1=O)-c1ccncc1
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n/an/a 6.49E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged recombinant human full length MNK2 expressed in baculovirus expression system incubated for 1 hr by Kinase Tracer...


Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00516
BindingDB Entry DOI: 10.7270/Q28G8QCK
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50554184
PNG
(CHEMBL4755408)
Show SMILES [#6]-[#8]-c1cc2-[#8]-[#6](-[#6]-[#6](=O)-c2c(-[#8]-[#6])c1-[#6]\[#6]=[#6](\[#6])-[#6])-c1ccc(-[#8]-[#6])c(-[#8]-[#6])c1-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6]
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n/an/a 8.26E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged recombinant human full length MNK2 expressed in baculovirus expression system incubated for 1 hr by Kinase Tracer...


Citation and Details

Article DOI: 10.1021/acs.jnatprod.0c00516
BindingDB Entry DOI: 10.7270/Q28G8QCK
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50565261
PNG
(CHEMBL4782890)
Show SMILES CCN(C(=O)c1cc(C(C)C)c(O)cc1O)c1ccc(Cn2c(=O)c(F)cn(C3CCCO3)c2=O)cc1
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n/an/a 2.78E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length C-terminal Hsi-tagged HSP90alpha (1 to 732 residues) expressed in Escherichia coli measured after 2 to 3 ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112540
BindingDB Entry DOI: 10.7270/Q24Q7ZR6
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50565260
PNG
(CHEMBL4778390)
Show SMILES CC(C)c1cc(C(=O)N(C)c2ccc(Cn3c(=O)c(F)cn(C4CCCO4)c3=O)cc2)c(O)cc1O
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n/an/a 4.09E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length C-terminal Hsi-tagged HSP90alpha (1 to 732 residues) expressed in Escherichia coli measured after 2 to 3 ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112540
BindingDB Entry DOI: 10.7270/Q24Q7ZR6
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM20926
PNG
(5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-...)
Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCOCC2)cc1)-c1cc(C(C)C)c(O)cc1O
Show InChI InChI=1S/C26H31N3O5/c1-4-27-26(32)24-23(18-7-5-17(6-8-18)15-29-9-11-33-12-10-29)25(34-28-24)20-13-19(16(2)3)21(30)14-22(20)31/h5-8,13-14,16,30-31H,4,9-12,15H2,1-3H3,(H,27,32)
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n/an/a 4.30E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length C-terminal Hsi-tagged HSP90alpha (1 to 732 residues) expressed in Escherichia coli measured after 2 to 3 ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112540
BindingDB Entry DOI: 10.7270/Q24Q7ZR6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50565267
PNG
(CHEMBL4787861)
Show SMILES CCN(C(=O)c1cc(C(C)C)c(O)cc1O)c1ccc(Cn2c(=O)[nH]cc(F)c2=O)cc1
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n/an/a 4.49E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length C-terminal Hsi-tagged HSP90alpha (1 to 732 residues) expressed in Escherichia coli measured after 2 to 3 ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112540
BindingDB Entry DOI: 10.7270/Q24Q7ZR6
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50565263
PNG
(CHEMBL4778950)
Show SMILES CC(C)c1cc(C(=O)N(Cc2ccccc2)c2ccc(Cn3c(=O)c(F)cn(C4CCCO4)c3=O)cc2)c(O)cc1O
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n/an/a 4.53E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length C-terminal Hsi-tagged HSP90alpha (1 to 732 residues) expressed in Escherichia coli measured after 2 to 3 ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112540
BindingDB Entry DOI: 10.7270/Q24Q7ZR6
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50565264
PNG
(CHEMBL4794274)
Show SMILES CC(C)c1cc(C(=O)N(Cc2ccc(cc2)C#N)c2ccc(Cn3c(=O)c(F)cn(C4CCCO4)c3=O)cc2)c(O)cc1O
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n/an/a 4.53E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length C-terminal Hsi-tagged HSP90alpha (1 to 732 residues) expressed in Escherichia coli measured after 2 to 3 ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112540
BindingDB Entry DOI: 10.7270/Q24Q7ZR6
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50565268
PNG
(CHEMBL4778357)
Show SMILES CC(C)c1cc(C(=O)N(CC=C)c2ccc(Cn3c(=O)[nH]cc(F)c3=O)cc2)c(O)cc1O
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n/an/a 4.80E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length C-terminal Hsi-tagged HSP90alpha (1 to 732 residues) expressed in Escherichia coli measured after 2 to 3 ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112540
BindingDB Entry DOI: 10.7270/Q24Q7ZR6
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50565262
PNG
(CHEMBL4786291)
Show SMILES CCCN(C(=O)c1cc(C(C)C)c(O)cc1O)c1ccc(Cn2c(=O)c(F)cn(C3CCCO3)c2=O)cc1
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n/an/a 4.82E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length C-terminal Hsi-tagged HSP90alpha (1 to 732 residues) expressed in Escherichia coli measured after 2 to 3 ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112540
BindingDB Entry DOI: 10.7270/Q24Q7ZR6
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50565269
PNG
(CHEMBL4783186)
Show SMILES CC(C)c1cc(C(=O)N(CC#C)c2ccc(Cn3c(=O)[nH]cc(F)c3=O)cc2)c(O)cc1O
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n/an/a 5.44E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length C-terminal Hsi-tagged HSP90alpha (1 to 732 residues) expressed in Escherichia coli measured after 2 to 3 ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112540
BindingDB Entry DOI: 10.7270/Q24Q7ZR6
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50565265
PNG
(CHEMBL4778594)
Show SMILES CC(C)c1cc(C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Cn3c(=O)c(F)cn(C4CCCO4)c3=O)cc2)c(O)cc1O
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n/an/a 5.47E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length C-terminal Hsi-tagged HSP90alpha (1 to 732 residues) expressed in Escherichia coli measured after 2 to 3 ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112540
BindingDB Entry DOI: 10.7270/Q24Q7ZR6
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM20800
PNG
(2-amino-6-halopurine analogue, 20 | 6-chloro-9-[(4...)
Show SMILES COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc23)c1C
Show InChI InChI=1S/C14H15ClN6O/c1-7-4-17-9(8(2)11(7)22-3)5-21-6-18-10-12(15)19-14(16)20-13(10)21/h4,6H,5H2,1-3H3,(H2,16,19,20)
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n/an/a 5.68E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length C-terminal Hsi-tagged HSP90alpha (1 to 732 residues) expressed in Escherichia coli measured after 2 to 3 ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112540
BindingDB Entry DOI: 10.7270/Q24Q7ZR6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50565266
PNG
(CHEMBL4783269)
Show SMILES COc1ccc(CN(C(=O)c2cc(C(C)C)c(O)cc2O)c2ccc(Cn3c(=O)c(F)cn(C4CCCO4)c3=O)cc2)cc1
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n/an/a 5.88E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length C-terminal Hsi-tagged HSP90alpha (1 to 732 residues) expressed in Escherichia coli measured after 2 to 3 ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112540
BindingDB Entry DOI: 10.7270/Q24Q7ZR6
More data for this
Ligand-Target Pair
Heat shock protein HSP 90-alpha


(Homo sapiens (Human))
BDBM50565259
PNG
(CHEMBL4780581)
Show SMILES CC(C)c1cc(C(=O)Nc2ccc(Cn3c(=O)c(F)cn(C4CCCO4)c3=O)cc2)c(O)cc1O
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n/an/a>1.00E+6n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human full-length C-terminal Hsi-tagged HSP90alpha (1 to 732 residues) expressed in Escherichia coli measured after 2 to 3 ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112540
BindingDB Entry DOI: 10.7270/Q24Q7ZR6
More data for this
Ligand-Target Pair