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Compile Data Set for Download or QSAR

Found 19 hits of ic50 for drug = Amcill   
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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM18137
PNG
(AMP | CHEMBL752 | US11185100, TABLE 7.3 | [(2R,3S,...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of p60c-src expressed in chick embryo fibroblast


J Nat Prod 55: 1529-1560 (1992)


Article DOI: 10.1021/np50089a001
BindingDB Entry DOI: 10.7270/Q2J966CC
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM18137
PNG
(AMP | CHEMBL752 | US11185100, TABLE 7.3 | [(2R,3S,...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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n/an/a 140n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of FBPase in human liver using fructose-2,6phosphate as a substrate


Bioorg Med Chem Lett 20: 594-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.093
BindingDB Entry DOI: 10.7270/Q27H1JPX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM18137
PNG
(AMP | CHEMBL752 | US11185100, TABLE 7.3 | [(2R,3S,...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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n/an/a 440n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Inhibition of FBPase in human liver


Bioorg Med Chem Lett 20: 594-9 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.093
BindingDB Entry DOI: 10.7270/Q27H1JPX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM18137
PNG
(AMP | CHEMBL752 | US11185100, TABLE 7.3 | [(2R,3S,...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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n/an/a 800n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Concentration required to inhibit the human liver recombinant fructose-1,6-bisphosphatase.


Bioorg Med Chem Lett 11: 17-21 (2001)


BindingDB Entry DOI: 10.7270/Q2HD7W52
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM18137
PNG
(AMP | CHEMBL752 | US11185100, TABLE 7.3 | [(2R,3S,...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM18137
PNG
(AMP | CHEMBL752 | US11185100, TABLE 7.3 | [(2R,3S,...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBPase expressed in Escherichia coli by spectrophotometry


J Med Chem 52: 2880-98 (2009)


Article DOI: 10.1021/jm900078f
BindingDB Entry DOI: 10.7270/Q2V40V20
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fructose-1,6-bisphosphatase 1


(Sus scrofa (Pig))
BDBM18137
PNG
(AMP | CHEMBL752 | US11185100, TABLE 7.3 | [(2R,3S,...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Boston College

Curated by ChEMBL


Assay Description
Inhibition of pig kidney fructose-1,6-bisphosphatase expressed in Escherichia coli BL21 (DE3) assessed as reduction of NADP+ to NADPH by phosphogluco...


Eur J Med Chem 45: 1478-84 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.055
BindingDB Entry DOI: 10.7270/Q2445MMN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fructose-1,6-bisphosphatase 1


(Sus scrofa (Pig))
BDBM18137
PNG
(AMP | CHEMBL752 | US11185100, TABLE 7.3 | [(2R,3S,...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Boston College

Curated by ChEMBL


Assay Description
Inhibition of pig FBPase expressed in Escherichia coli EK1601 by spectrophotometry


Bioorg Med Chem 17: 3916-22 (2009)


Article DOI: 10.1016/j.bmc.2009.04.030
BindingDB Entry DOI: 10.7270/Q25T3KGW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM18137
PNG
(AMP | CHEMBL752 | US11185100, TABLE 7.3 | [(2R,3S,...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of wild-type full-length human liver FBPase expressed in Escherichia coli BL21 (DE3) using FBP as substrate by malachite green dye based a...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112500
BindingDB Entry DOI: 10.7270/Q2805682
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM18137
PNG
(AMP | CHEMBL752 | US11185100, TABLE 7.3 | [(2R,3S,...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



International Cooperation Base of Pesticide and Green Synthesis (Hubei)

Curated by ChEMBL


Assay Description
Inhibition of human FBPase expressed in Escherichia coli BL21 (DE3) using FBP as substrate incubated for 5 mins by malachite green dye based spectrop...


Eur J Med Chem 184: (2019)


Article DOI: 10.1016/j.ejmech.2019.111749
BindingDB Entry DOI: 10.7270/Q2RB77W3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM18137
PNG
(AMP | CHEMBL752 | US11185100, TABLE 7.3 | [(2R,3S,...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



University of Porto

Curated by ChEMBL


Assay Description
Inhibition of human liver FBP1 incubated for 5 mins by fluorescence method


J Nat Prod 83: 1541-1552 (2020)


Article DOI: 10.1021/acs.jnatprod.0c00014
BindingDB Entry DOI: 10.7270/Q2ZW1QH2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM18137
PNG
(AMP | CHEMBL752 | US11185100, TABLE 7.3 | [(2R,3S,...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences& Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FBPase expressed in Escherichia coli BL21(DE3) by phosphoglucose isomerase and glucose-6-phosphate dehydrogenase coup...


Bioorg Med Chem 22: 1850-62 (2014)


Article DOI: 10.1016/j.bmc.2014.01.047
BindingDB Entry DOI: 10.7270/Q2B56M79
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM18137
PNG
(AMP | CHEMBL752 | US11185100, TABLE 7.3 | [(2R,3S,...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



Chinese Academy of Medical Sciences&Peking Union Medical College

Curated by ChEMBL


Assay Description
Inhibition of human liver FBPase expressed in Escherichia coli BL21(DE3) Rosetta cells assessed as reduction of NADP+ to NADPH by phosphoglucose isom...


Eur J Med Chem 90: 394-405 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.049
BindingDB Entry DOI: 10.7270/Q2CJ8G7H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM18137
PNG
(AMP | CHEMBL752 | US11185100, TABLE 7.3 | [(2R,3S,...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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n/an/a 3.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human liver FBPase expressed in Escherichia coli BL21(DE3) using FBP as substrate in presence of PGI and G6PDH by spectrophotometric me...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00726
BindingDB Entry DOI: 10.7270/Q2DR306R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fructose-1,6-bisphosphatase 1


(Homo sapiens (Human))
BDBM18137
PNG
(AMP | CHEMBL752 | US11185100, TABLE 7.3 | [(2R,3S,...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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n/an/a 9.80E+3n/an/an/an/an/an/a



Boston College

Curated by ChEMBL


Assay Description
Inhibition of human liver fructose-1,6-bisphosphatase expressed in Escherichia coli BL21 (DE3) assessed as reduction of NADP+ to NADPH by phosphogluc...


Eur J Med Chem 45: 1478-84 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.055
BindingDB Entry DOI: 10.7270/Q2445MMN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 [1-999,I813T]


(Homo sapiens (Human))
BDBM18137
PNG
(AMP | CHEMBL752 | US11185100, TABLE 7.3 | [(2R,3S,...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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PCBioAssay
n/an/a 1.32E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2NC5ZV0
More data for this
Ligand-Target Pair
Transient receptor potential cation channel subfamily M member 2


(Homo sapiens (Human))
BDBM18137
PNG
(AMP | CHEMBL752 | US11185100, TABLE 7.3 | [(2R,3S,...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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n/an/a 7.00E+4n/an/an/an/an/an/a



Peking University

Curated by ChEMBL


Assay Description
Inhibition of human TRPM2 assessed as reduction in ADPR-induced channel currents by whole cell patch clamp electrophysiology method


Eur J Med Chem 152: 235-252 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.045
BindingDB Entry DOI: 10.7270/Q22J6FDS
More data for this
Ligand-Target Pair
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-3


(Homo sapiens (Human))
BDBM18137
PNG
(AMP | CHEMBL752 | US11185100, TABLE 7.3 | [(2R,3S,...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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KEGG

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antibodypedia
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PCBioAssay
n/an/a 1.22E+5n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute Ass...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2S46QKQ
More data for this
Ligand-Target Pair
Glycine--tRNA ligase


(Bombyx mori)
BDBM18137
PNG
(AMP | CHEMBL752 | US11185100, TABLE 7.3 | [(2R,3S,...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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Article
PubMed
8.00E+4 -23.4 8.00E+5n/an/an/an/a7.525



Medical College of Ohio



Assay Description
Aminoacyl-tRNA synthetase assays were measuring the incorporation of [14C] amino acid into tRNA.


Biochemistry 42: 5333-40 (2003)


Article DOI: 10.1021/bi030031h
BindingDB Entry DOI: 10.7270/Q2HQ3X6H
More data for this
Ligand-Target Pair