BDBM444586 US10662186, Compound 109::US10662186, Compound 111::US10988476, Compound I-111

SMILES C[C@@H]1Cc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2CN1

InChI Key InChIKey=JKKUZTDMJDZHEB-UHFFFAOYSA-N

Data  28 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 28 hits for monomerid = 444586   

TargetCyclin-dependent kinase 4(Human)
Shanghai Pharmaceuticals Holding

US Patent
LigandPNGBDBM444586(US10662186, Compound 111 | US10662186, Compound 10...)
Affinity DataIC50: 1.59nMAssay Description:1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/1/2021
Entry Details
Go to US Patent

TargetCyclin-dependent kinase 9(Human)
Shanghai Pharmaceuticals Holding

US Patent
LigandPNGBDBM444586(US10662186, Compound 111 | US10662186, Compound 10...)
Affinity DataIC50: 5.44nMAssay Description:1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/1/2021
Entry Details
Go to US Patent

TargetCyclin-dependent kinase 7(Human)
Shanghai Pharmaceuticals Holding

US Patent
LigandPNGBDBM444586(US10662186, Compound 111 | US10662186, Compound 10...)
Affinity DataIC50: 105nMAssay Description:1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/1/2021
Entry Details
Go to US Patent

TargetCyclin-dependent kinase 5(Human)
Shanghai Pharmaceuticals Holding

US Patent
LigandPNGBDBM444586(US10662186, Compound 111 | US10662186, Compound 10...)
Affinity DataIC50: 15.9nMAssay Description:1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/1/2021
Entry Details
Go to US Patent

TargetCyclin-dependent kinase 1(Human)
Shanghai Pharmaceuticals Holding

US Patent
LigandPNGBDBM444586(US10662186, Compound 111 | US10662186, Compound 10...)
Affinity DataIC50: 55.1nMAssay Description:1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/1/2021
Entry Details
Go to US Patent

TargetCyclin-dependent kinase 9(Human)
Shanghai Pharmaceuticals Holding

US Patent
LigandPNGBDBM444586(US10662186, Compound 111 | US10662186, Compound 10...)
Affinity DataIC50: 7.03nMAssay Description:1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/1/2021
Entry Details
Go to US Patent

TargetCyclin-dependent kinase 7(Human)
Shanghai Pharmaceuticals Holding

US Patent
LigandPNGBDBM444586(US10662186, Compound 111 | US10662186, Compound 10...)
Affinity DataIC50: 99.4nMAssay Description:1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/1/2021
Entry Details
Go to US Patent

TargetCyclin-dependent kinase 5(Human)
Shanghai Pharmaceuticals Holding

US Patent
LigandPNGBDBM444586(US10662186, Compound 111 | US10662186, Compound 10...)
Affinity DataIC50: 47.2nMAssay Description:1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/1/2021
Entry Details
Go to US Patent

TargetCyclin-dependent kinase 1(Human)
Shanghai Pharmaceuticals Holding

US Patent
LigandPNGBDBM444586(US10662186, Compound 111 | US10662186, Compound 10...)
Affinity DataIC50: 165nMAssay Description:1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/1/2021
Entry Details
Go to US Patent

TargetCyclin-dependent kinase 2(Human)
Shanghai Pharmaceuticals Holding

US Patent
LigandPNGBDBM444586(US10662186, Compound 111 | US10662186, Compound 10...)
Affinity DataIC50: 11.2nMAssay Description:1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/1/2021
Entry Details
Go to US Patent

TargetCyclin-dependent kinase 6(Human)
Shanghai Pharmaceuticals Holding

US Patent
LigandPNGBDBM444586(US10662186, Compound 111 | US10662186, Compound 10...)
Affinity DataIC50: 2.98nMAssay Description:1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/1/2021
Entry Details
Go to US Patent

TargetCyclin-dependent kinase 4(Human)
Shanghai Pharmaceuticals Holding

US Patent
LigandPNGBDBM444586(US10662186, Compound 111 | US10662186, Compound 10...)
Affinity DataIC50: 1.09nMAssay Description:1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/1/2021
Entry Details
Go to US Patent

TargetCyclin-dependent kinase 2(Human)
Shanghai Pharmaceuticals Holding

US Patent
LigandPNGBDBM444586(US10662186, Compound 111 | US10662186, Compound 10...)
Affinity DataIC50: 30.7nMAssay Description:1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/1/2021
Entry Details
Go to US Patent

TargetCyclin-dependent kinase 6(Human)
Shanghai Pharmaceuticals Holding

US Patent
LigandPNGBDBM444586(US10662186, Compound 111 | US10662186, Compound 10...)
Affinity DataIC50: 3.86nMAssay Description:1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/1/2021
Entry Details
Go to US Patent

TargetCyclin-dependent kinase 4(Human)
Shanghai Pharmaceuticals Holding

US Patent
LigandPNGBDBM444586(US10662186, Compound 111 | US10662186, Compound 10...)
Affinity DataIC50: 1.59nMAssay Description:1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2021
Entry Details
Go to US Patent

TargetCyclin-dependent kinase 9(Human)
Shanghai Pharmaceuticals Holding

US Patent
LigandPNGBDBM444586(US10662186, Compound 111 | US10662186, Compound 10...)
Affinity DataIC50: 5.44nMAssay Description:1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2021
Entry Details
Go to US Patent

TargetCyclin-dependent kinase 7(Human)
Shanghai Pharmaceuticals Holding

US Patent
LigandPNGBDBM444586(US10662186, Compound 111 | US10662186, Compound 10...)
Affinity DataIC50: 105nMAssay Description:1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2021
Entry Details
Go to US Patent

TargetCyclin-dependent kinase 5(Human)
Shanghai Pharmaceuticals Holding

US Patent
LigandPNGBDBM444586(US10662186, Compound 111 | US10662186, Compound 10...)
Affinity DataIC50: 15.9nMAssay Description:1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2021
Entry Details
Go to US Patent

TargetCyclin-dependent kinase 1(Human)
Shanghai Pharmaceuticals Holding

US Patent
LigandPNGBDBM444586(US10662186, Compound 111 | US10662186, Compound 10...)
Affinity DataIC50: 55.1nMAssay Description:1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2021
Entry Details
Go to US Patent

TargetCyclin-dependent kinase 9(Human)
Shanghai Pharmaceuticals Holding

US Patent
LigandPNGBDBM444586(US10662186, Compound 111 | US10662186, Compound 10...)
Affinity DataIC50: 7.03nMAssay Description:1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2021
Entry Details
Go to US Patent

TargetCyclin-dependent kinase 7(Human)
Shanghai Pharmaceuticals Holding

US Patent
LigandPNGBDBM444586(US10662186, Compound 111 | US10662186, Compound 10...)
Affinity DataIC50: 99.4nMAssay Description:1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2021
Entry Details
Go to US Patent

TargetCyclin-dependent kinase 5(Human)
Shanghai Pharmaceuticals Holding

US Patent
LigandPNGBDBM444586(US10662186, Compound 111 | US10662186, Compound 10...)
Affinity DataIC50: 47.2nMAssay Description:1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2021
Entry Details
Go to US Patent

TargetCyclin-dependent kinase 1(Human)
Shanghai Pharmaceuticals Holding

US Patent
LigandPNGBDBM444586(US10662186, Compound 111 | US10662186, Compound 10...)
Affinity DataIC50: 165nMAssay Description:1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2021
Entry Details
Go to US Patent

TargetCyclin-dependent kinase 2(Human)
Shanghai Pharmaceuticals Holding

US Patent
LigandPNGBDBM444586(US10662186, Compound 111 | US10662186, Compound 10...)
Affinity DataIC50: 11.2nMAssay Description:1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2021
Entry Details
Go to US Patent

TargetCyclin-dependent kinase 6(Human)
Shanghai Pharmaceuticals Holding

US Patent
LigandPNGBDBM444586(US10662186, Compound 111 | US10662186, Compound 10...)
Affinity DataIC50: 2.98nMAssay Description:1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2021
Entry Details
Go to US Patent

TargetCyclin-dependent kinase 4(Human)
Shanghai Pharmaceuticals Holding

US Patent
LigandPNGBDBM444586(US10662186, Compound 111 | US10662186, Compound 10...)
Affinity DataIC50: 1.09nMAssay Description:1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2021
Entry Details
Go to US Patent

TargetCyclin-dependent kinase 2(Human)
Shanghai Pharmaceuticals Holding

US Patent
LigandPNGBDBM444586(US10662186, Compound 111 | US10662186, Compound 10...)
Affinity DataIC50: 30.7nMAssay Description:1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2021
Entry Details
Go to US Patent

TargetCyclin-dependent kinase 6(Human)
Shanghai Pharmaceuticals Holding

US Patent
LigandPNGBDBM444586(US10662186, Compound 111 | US10662186, Compound 10...)
Affinity DataIC50: 3.86nMAssay Description:1. Take 10 mM stock solution of the test compound, in 96-well compound plate, DMSO was used to dilute the compound to an initial concentration of 100...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2021
Entry Details
Go to US Patent