BDBM498707 (1R,3S)-3-(3-{[(6- methoxypyridin-3- yl)acetyl]amino}-1H-pyrazol-5- yl)cyclopentyl [(2$#958;)-2- (hydroxymethyl)butyl] carbamate - Isomer A::US11014911, Example 532::US11014911, Example 533::US11718603, Example 533

SMILES CCC(CO)CNC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2ccc(OC)nc2)n[nH]1

InChI Key InChIKey=BFXPDORMGAUHQH-UHFFFAOYSA-N

Data  10 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 498707   

TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Human)
Smith, Gambrell & Russell

Curated by ChEMBL
LigandPNGBDBM498707(US11014911, Example 532 | (1R,3S)-3-(3-{[(6- meth...)
Affinity DataKi:  0.770nMAssay Description:Inhibition of recombinant full length wild-type CDK2/Cyclin E1 (unknown origin) expressed in baculovirus expression system assessed as reduction in p...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMed
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Human)
Smith, Gambrell & Russell

Curated by ChEMBL
LigandPNGBDBM498707(US11014911, Example 532 | (1R,3S)-3-(3-{[(6- meth...)
Affinity DataKi:  0.770nMAssay Description:The purpose of CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a fluores...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/22/2021
Entry Details
US Patent

TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Human)
Smith, Gambrell & Russell

Curated by ChEMBL
LigandPNGBDBM498707(US11014911, Example 532 | (1R,3S)-3-(3-{[(6- meth...)
Affinity DataKi:  0.770nMAssay Description:The purpose of CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a fluores...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/15/2023
Entry Details
US Patent

TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Human)
Smith, Gambrell & Russell

Curated by ChEMBL
LigandPNGBDBM498707(US11014911, Example 532 | (1R,3S)-3-(3-{[(6- meth...)
Affinity DataKi:  0.890nMAssay Description:The purpose of CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a fluores...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/15/2023
Entry Details
US Patent

TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Human)
Smith, Gambrell & Russell

Curated by ChEMBL
LigandPNGBDBM498707(US11014911, Example 532 | (1R,3S)-3-(3-{[(6- meth...)
Affinity DataKi:  0.890nMAssay Description:The purpose of CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a fluores...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/22/2021
Entry Details
US Patent

TargetGlycogen synthase kinase-3 beta(Human)
Smith, Gambrell & Russell

Curated by ChEMBL
LigandPNGBDBM498707(US11014911, Example 532 | (1R,3S)-3-(3-{[(6- meth...)
Affinity DataKi:  1.40nMAssay Description:Inhibition of N-terminal His6-tagged human recombinant GSK3beta H350L mutant expressed in baculovirus-infected Sf21 cells assessed as reduction in pr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMed
TargetGlycogen synthase kinase-3 beta(Human)
Smith, Gambrell & Russell

Curated by ChEMBL
LigandPNGBDBM498707(US11014911, Example 532 | (1R,3S)-3-(3-{[(6- meth...)
Affinity DataKi:  1.41nMAssay Description:The purpose of GSK3β assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a fluorescenc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/22/2021
Entry Details
US Patent

TargetGlycogen synthase kinase-3 beta(Human)
Smith, Gambrell & Russell

Curated by ChEMBL
LigandPNGBDBM498707(US11014911, Example 532 | (1R,3S)-3-(3-{[(6- meth...)
Affinity DataKi:  1.41nMAssay Description:The purpose of GSK3β assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a fluorescenc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/15/2023
Entry Details
US Patent

TargetGlycogen synthase kinase-3 beta(Human)
Smith, Gambrell & Russell

Curated by ChEMBL
LigandPNGBDBM498707(US11014911, Example 532 | (1R,3S)-3-(3-{[(6- meth...)
Affinity DataKi:  2.97nMAssay Description:The purpose of GSK3β assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a fluorescenc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/15/2023
Entry Details
US Patent

TargetGlycogen synthase kinase-3 beta(Human)
Smith, Gambrell & Russell

Curated by ChEMBL
LigandPNGBDBM498707(US11014911, Example 532 | (1R,3S)-3-(3-{[(6- meth...)
Affinity DataKi:  2.97nMAssay Description:The purpose of GSK3β assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a fluorescenc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/22/2021
Entry Details
US Patent