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TargetBeta-secretase 1(Human)
Astex

LigandPNGBDBM14320(CHEMBL62083 | 1-amino-isoquinoline | fragment 1 (J...)
Affinity DatapH: 5.0 T: 2°CAssay Description:Activity of BACE-1 was measured by monitoring the cleavage of its peptide substrate on a Fluoroskan Ascent plate reader with excitation and emission ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/15/2007
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBeta-secretase 1(Human)
Astex

LigandPNGBDBM14322(CHEMBL61236 | 2-aminoquinoline | fragment 2 (J. me...)
Affinity DatapH: 5.0 T: 2°CAssay Description:Activity of BACE-1 was measured by monitoring the cleavage of its peptide substrate on a Fluoroskan Ascent plate reader with excitation and emission ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/15/2007
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetBeta-secretase 1(Human)
Astex

LigandPNGBDBM15788(4-[(4-fluorophenyl)methyl]piperidine | CHEMBL12043...)
Affinity DatapH: 5.0 T: 2°CAssay Description:Activity of BACE-1 was measured by monitoring the cleavage of its peptide substrate on a Fluoroskan Ascent plate reader with excitation and emission ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/15/2007
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetGenome polyprotein [1658-1692](Hepatitis C virus genotype 1b (isolate Con1) (HCV))
Astex Pharmaceuticals

LigandPNGBDBM92630((3S)-N-(2-aminoethyl)-3-{[(1R)-1-(4-chloro-2-fluor...)
Affinity DataKd:  22nMT: 2°CAssay Description:The protease activity of the full-length NS3-NS4a and the protease domain were measured using a FRET-based assay using a peptide substrate derived fr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/28/2012
Entry Details Article
PubMed
TargetGenome polyprotein [1658-1692](Hepatitis C virus genotype 1b (isolate Con1) (HCV))
Astex Pharmaceuticals

LigandPNGBDBM92631((3R)-3-{[(1S)-1-(4-chloro-2-fluoro-3-phenoxyphenyl...)
Affinity DataKd:  2.40E+4nMT: 2°CAssay Description:The protease activity of the full-length NS3-NS4a and the protease domain were measured using a FRET-based assay using a peptide substrate derived fr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/28/2012
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-alpha/90-beta(Human)
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50482738(CHEMBL1253338)
Affinity DataKd:  2.30E+3nMAssay Description:Binding affinity to human N-terminal ATPase domain of Hsp90 by isothermal titration calorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/28/2020
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-alpha/90-beta(Human)
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50482739(CHEMBL1236159)
Affinity DataKd:  250nMAssay Description:Binding affinity to human N-terminal ATPase domain of Hsp90 by isothermal titration calorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/28/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetHeat shock protein HSP 90-alpha/90-beta(Human)
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50482740(CHEMBL1253359)
Affinity DataKd:  400nMAssay Description:Binding affinity to human N-terminal ATPase domain of Hsp90 by isothermal titration calorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/28/2020
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-alpha/90-beta(Human)
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50482741(CHEMBL1254575)
Affinity DataKd:  68nMAssay Description:Binding affinity to human N-terminal ATPase domain of Hsp90 by isothermal titration calorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/28/2020
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-alpha/90-beta(Human)
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50482742(CHEMBL1253360)
Affinity DataKd:  11nMAssay Description:Binding affinity to human N-terminal ATPase domain of Hsp90 by isothermal titration calorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/28/2020
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-alpha/90-beta(Human)
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50482743(CHEMBL1215467)
Affinity DataKd:  0.540nMAssay Description:Binding affinity to human N-terminal ATPase domain of Hsp90 by isothermal titration calorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/28/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetHeat shock protein HSP 90-alpha/90-beta(Human)
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50482744(CHEMBL1253208)
Affinity DataKd:  2.00E+3nMAssay Description:Binding affinity to human N-terminal ATPase domain of Hsp90 by isothermal titration calorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/28/2020
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-alpha/90-beta(Human)
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50343360(4-Chloro-6-(2-methoxyphenyl)-pyrimidin-2-ylamine |...)
Affinity DataKd:  350nMAssay Description:Binding affinity to human N-terminal ATPase domain of Hsp90 by isothermal titration calorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/28/2020
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-alpha/90-beta(Human)
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50482745(CHEMBL1253265)
Affinity DataKd:  36nMAssay Description:Binding affinity to human N-terminal ATPase domain of Hsp90 by isothermal titration calorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/28/2020
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-alpha/90-beta(Human)
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50482746(CHEMBL1253266)
Affinity DataKd:  83nMAssay Description:Binding affinity to human N-terminal ATPase domain of Hsp90 by isothermal titration calorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/28/2020
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-alpha/90-beta(Human)
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50482747(CHEMBL1253268)
Affinity DataKd:  48nMAssay Description:Binding affinity to human N-terminal ATPase domain of Hsp90 by isothermal titration calorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/28/2020
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-alpha/90-beta(Human)
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50482748(CHEMBL1253286)
Affinity DataKd:  28nMAssay Description:Binding affinity to human N-terminal ATPase domain of Hsp90 by isothermal titration calorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/28/2020
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-alpha/90-beta(Human)
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50482749(CHEMBL1253307)
Affinity DataKd:  7.00E+3nMAssay Description:Binding affinity to human N-terminal ATPase domain of Hsp90 by isothermal titration calorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/28/2020
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-alpha/90-beta(Human)
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50482750(CHEMBL1253308)
Affinity DataKd:  8.60E+3nMAssay Description:Binding affinity to human N-terminal ATPase domain of Hsp90 by isothermal titration calorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/28/2020
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-alpha/90-beta(Human)
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50482751(CHEMBL1253309)
Affinity DataKd:  5.10E+4nMAssay Description:Binding affinity to human N-terminal ATPase domain of Hsp90 by isothermal titration calorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/28/2020
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-alpha/90-beta(Human)
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50440379(CHEMBL1236798)
Affinity DataKd:  2.50E+5nMAssay Description:Binding affinity to human N-terminal ATPase domain of Hsp90 by isothermal titration calorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/28/2020
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-alpha/90-beta(Human)
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50482752(Clairvan | Etamivan | Ethamivan | Vandid)
Affinity DataKd:  7.90E+5nMAssay Description:Binding affinity to human N-terminal ATPase domain of Hsp90 by isothermal titration calorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/28/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetHeat shock protein HSP 90-alpha/90-beta(Human)
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50482753(CHEMBL1253287)
Affinity DataKd:  1.13E+6nMAssay Description:Binding affinity to human N-terminal ATPase domain of Hsp90 by isothermal titration calorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/28/2020
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-alpha/90-beta(Human)
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50482754(CHEMBL1253285)
Affinity DataKd:  6.30nMAssay Description:Binding affinity to human N-terminal ATPase domain of Hsp90 by isothermal titration calorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/28/2020
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-alpha/90-beta(Human)
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50482755(CHEMBL1254574)
Affinity DataKd:  2.50E+3nMAssay Description:Binding affinity to human N-terminal ATPase domain of Hsp90 by isothermal titration calorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/28/2020
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-alpha/90-beta(Human)
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50482756(CHEMBL1254649)
Affinity DataKd:  128nMAssay Description:Binding affinity to human N-terminal ATPase domain of Hsp90 by isothermal titration calorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/28/2020
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-alpha/90-beta(Human)
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50482757(CHEMBL1253209)
Affinity DataKd:  68nMAssay Description:Binding affinity to human N-terminal ATPase domain of Hsp90 by isothermal titration calorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/28/2020
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-alpha/90-beta(Human)
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM81731(HSP90 Inhibitor, 5)
Affinity DataKd:  12nMAssay Description:Binding affinity to human N-terminal ATPase domain of Hsp90 by isothermal titration calorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/28/2020
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-alpha/90-beta(Human)
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50482758(CHEMBL1253306)
Affinity DataKd:  4.50E+4nMAssay Description:Binding affinity to human N-terminal ATPase domain of Hsp90 by isothermal titration calorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/28/2020
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-alpha/90-beta(Human)
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50482759(CHEMBL1253337)
Affinity DataKd:  1.34E+5nMAssay Description:Binding affinity to human N-terminal ATPase domain of Hsp90 by isothermal titration calorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/28/2020
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-alpha/90-beta(Human)
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50482760(CHEMBL1231550)
Affinity DataKd:  4.80nMAssay Description:Binding affinity to human N-terminal ATPase domain of Hsp90 by isothermal titration calorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/28/2020
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-alpha/90-beta(Human)
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50482761(CHEMBL1254573)
Affinity DataKd:  250nMAssay Description:Binding affinity to human N-terminal ATPase domain of Hsp90 by isothermal titration calorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/28/2020
Entry Details Article
PubMed
TargetHeat shock protein HSP 90-alpha/90-beta(Human)
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50482762(CHEMBL1231552)
Affinity DataKd:  1.10E+3nMAssay Description:Binding affinity to human N-terminal ATPase domain of Hsp90 by isothermal titration calorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/28/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetHeat shock protein HSP 90-alpha/90-beta(Human)
Astex Therapeutics

Curated by ChEMBL
LigandPNGBDBM50482763(CHEMBL1254492)
Affinity DataKd:  2.50E+3nMAssay Description:Binding affinity to human N-terminal ATPase domain of Hsp90 by isothermal titration calorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/28/2020
Entry Details Article
PubMed
TargetDiscoidin domain-containing receptor 2(Human)
Astex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50112617(CHEMBL3608786)
Affinity DataEC50:  8.70nMAssay Description:Inhibition of collagen I-induced DDR2 (unknown origin) phosphorylation expressed in HEK293 cells after 16 hrs by mesoscale discovery assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/19/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPlatelet-activating factor acetylhydrolase(Human)
Astex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM12414(CHEMBL27601 | benzenesulfonamide | hCA inhibitor, ...)
Affinity DataKd:  3.40E+6nMAssay Description:Binding affinity to N-terminal His6-tagged Lp-PLA2 (47 to 429 residues) (unknown origin) expressed in sf21 insect cells by ITC assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/26/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPlatelet-activating factor acetylhydrolase(Human)
Astex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50182424(CHEMBL3818090)
Affinity DataKd:  9.80E+5nMAssay Description:Binding affinity to N-terminal His6-tagged Lp-PLA2 (47 to 429 residues) (unknown origin) expressed in sf21 insect cells by ITC assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/26/2017
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetProto-oncogene tyrosine-protein kinase receptor Ret(Human)
Astex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50197524(CHEMBL3957061)
Affinity DataKd: <1nMAssay Description:Binding affinity to of human partial length RET expressed in bacterial system by active site-directed competition binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/15/2018
Entry Details Article
PubMed
TargetDNA repair protein RAD51 homolog 1(Human)
Astex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50088343(CHEMBL3427781)
Affinity DataKd:  1.30E+3nMAssay Description:Binding affinity to of humanised RAD51 C-terminal ATPase domain (with deletion of L2 loop residues 288 to 314) from Pyrococcus furiosus expressed in ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/15/2018
Entry Details Article
PubMed
TargetVascular endothelial growth factor receptor 2(Human)
Astex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50197524(CHEMBL3957061)
Affinity DataKd: <1nMAssay Description:Binding affinity to of human partial length VGFR2 expressed in mammalian system by active site-directed competition binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/15/2018
Entry Details Article
PubMed
TargetDNA repair protein RAD51 homolog 1(Human)
Astex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM93044(L-Methyl ester tryptophan, 8)
Affinity DataKd:  5.70E+5nMAssay Description:Binding affinity to of humanised RAD51 C-terminal ATPase domain (with deletion of L2 loop residues 288 to 314) from Pyrococcus furiosus expressed in ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/15/2018
Entry Details Article
PubMed
TargetPlatelet-activating factor acetylhydrolase(Human)
Astex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50125265(N-(2-Diethylamino-ethyl)-2-[2-(4-fluoro-benzylsulf...)
Affinity DataIC50: 0.0350nMAssay Description:Inhibition of Lp-PLA2 in whole human plasma pre-incubated for 15 mins before 2-thio-PAF substrate additionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/16/2018
Entry Details Article
PubMed
TargetPlatelet-activating factor acetylhydrolase(Human)
Astex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50125265(N-(2-Diethylamino-ethyl)-2-[2-(4-fluoro-benzylsulf...)
Affinity DataIC50: 0.0490nMAssay Description:Inhibition of human recombinant Lp-PLA2 using 2-thio-PAF as substrate after 20 mins by CPM-based fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/26/2017
Entry Details Article
PubMed
TargetPlatelet-activating factor acetylhydrolase(Human)
Astex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50125265(N-(2-Diethylamino-ethyl)-2-[2-(4-fluoro-benzylsulf...)
Affinity DataIC50: 0.0490nMAssay Description:Inhibition of recombinant human Lp-PLA2 incubated for 20 mins by Thio-PAF assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/16/2018
Entry Details Article
PubMed
TargetPlatelet-activating factor acetylhydrolase(Human)
Astex Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50125265(N-(2-Diethylamino-ethyl)-2-[2-(4-fluoro-benzylsulf...)
Affinity DataIC50: 0.0490nMAssay Description:Inhibition of recombinant human Lp-PLA2 pre-incubated for 30 mins before PED6 fluorogenic substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/16/2018
Entry Details Article
PubMed
TargetFibroblast growth factor receptor 3(Human)
Astex Therapeutics

US Patent
LigandPNGBDBM128502(US8796244, 81)
Affinity DataIC50: 0.447nMpH: 8.0 T: 2°CAssay Description:Enzymes (from Upstate) were prepared at 2× final concentration in 1× kinase assay buffer (Table 1). Enzymes were then incubated with test compounds, ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/12/2015
Entry Details
Go to US Patent

TargetFibroblast growth factor receptor 3(Human)
Astex Therapeutics

US Patent
LigandPNGBDBM128624(US8796244, 213)
Affinity DataIC50: 0.460nMpH: 8.0 T: 2°CAssay Description:Enzymes (from Upstate) were prepared at 2× final concentration in 1× kinase assay buffer (Table 1). Enzymes were then incubated with test compounds, ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/12/2015
Entry Details
Go to US Patent

TargetFibroblast growth factor receptor 3(Human)
Astex Therapeutics

US Patent
LigandPNGBDBM128551(US8796244, 133)
Affinity DataIC50: 0.484nMpH: 8.0 T: 2°CAssay Description:Enzymes (from Upstate) were prepared at 2× final concentration in 1× kinase assay buffer (Table 1). Enzymes were then incubated with test compounds, ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/12/2015
Entry Details
Go to US Patent

TargetFibroblast growth factor receptor 3(Human)
Astex Therapeutics

US Patent
LigandPNGBDBM139913(US8895745, 375)
Affinity DataIC50: 0.490nMpH: 7.5Assay Description:Enzymes (from Upstate) were prepared at 2x final concentration in 1x kinase assay buffer (as described below). Enzymes were then incubated with test ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/4/2015
Entry Details
Go to US Patent

TargetFibroblast growth factor receptor 3(Human)
Astex Therapeutics

US Patent
LigandPNGBDBM128659(US8796244, 250)
Affinity DataIC50: 0.5nMpH: 8.0 T: 2°CAssay Description:Enzymes (from Upstate) were prepared at 2× final concentration in 1× kinase assay buffer (Table 1). Enzymes were then incubated with test compounds, ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/12/2015
Entry Details
Go to US Patent

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