BDBM50526797 Ct-7001::Ct7001::ICEC-0942::ICEC0942::Samuraciclib::US11857552, Compound REF-001

SMILES CC(C)c1cnn2c1nc(cc2NCc3ccccc3)NC[C@H]4CCNC[C@@H]4O

InChI Key InChIKey=YCVGLKWJKIKVBI-UHFFFAOYSA-N

Data  27 IC50

PDB links: 6 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 27 hits for monomerid = 50526797   

TargetCyclin-dependent kinase 6(Human)
Lebanese American University

Curated by ChEMBL
LigandPNGBDBM50526797(Ct-7001 | Ct7001 | ICEC-0942 | ICEC0942 | Samuraci...)
Affinity DataIC50: 3.40E+4nMAssay Description:Inhibition of CDK6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetCyclin-dependent kinase 7(Human)
Mizoram University

Curated by ChEMBL
LigandPNGBDBM50526797(Ct-7001 | Ct7001 | ICEC-0942 | ICEC0942 | Samuraci...)
Affinity DataIC50: 40nMAssay Description:Inhibition of CDK7 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/19/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetCyclin-dependent kinase 7(Human)
Mizoram University

Curated by ChEMBL
LigandPNGBDBM50526797(Ct-7001 | Ct7001 | ICEC-0942 | ICEC0942 | Samuraci...)
Affinity DataIC50: 40nMAssay Description:Inhibition of CDK7 (unknown origin) using N-YSPTSPSYSPTSPSYSPTSPS-C (PolII CTD) peptide as substrate in presence of ATP by luciferase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetCyclin-dependent kinase 9(Human)
Hefei University of Technology

Curated by ChEMBL
LigandPNGBDBM50526797(Ct-7001 | Ct7001 | ICEC-0942 | ICEC0942 | Samuraci...)
Affinity DataIC50: 1.20E+3nMAssay Description:Inhibition of CDK9 (unknown origin) using YSPTSPSYSPTSPSYSPTSPS peptide as substrate in presence of ATP by luciferase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetCyclin-dependent kinase 7(Human)
Mizoram University

Curated by ChEMBL
LigandPNGBDBM50526797(Ct-7001 | Ct7001 | ICEC-0942 | ICEC0942 | Samuraci...)
Affinity DataIC50: 40nMAssay Description:Inhibition of CDK7 (unknown origin) using YSPTSPSYSPTSPSYSPTSPS peptide as substrate in presence of ATP by luciferase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetCyclin-dependent kinase 2(Human)
Hefei University of Technology

Curated by ChEMBL
LigandPNGBDBM50526797(Ct-7001 | Ct7001 | ICEC-0942 | ICEC0942 | Samuraci...)
Affinity DataIC50: 620nMAssay Description:Inhibition of CDK2 (unknown origin) using Rb-CTF peptide as substrate in presence of ATP by luciferase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetCyclin-dependent kinase 1(Human)
Hefei University of Technology

Curated by ChEMBL
LigandPNGBDBM50526797(Ct-7001 | Ct7001 | ICEC-0942 | ICEC0942 | Samuraci...)
Affinity DataIC50: 1.80E+3nMAssay Description:Inhibition of CDK1 (unknown origin) using Rb-CTF peptide as substrate in presence of ATP by luciferase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/23/2023
Entry Details
PubMed
TargetCyclin-dependent kinase 7(Human)
Mizoram University

Curated by ChEMBL
LigandPNGBDBM50526797(Ct-7001 | Ct7001 | ICEC-0942 | ICEC0942 | Samuraci...)
Affinity DataIC50: 34nMAssay Description:CDK7 IC50 Materials and Solutions:In addition to those mentioned above for Method 1:CDK7/cycH/MAT1 (ProQinase, 0366-0360-4).MnCl2 (Sigma, M1787).CDKt...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2024
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetCyclin-dependent kinase 2(Human)
Hefei University of Technology

Curated by ChEMBL
LigandPNGBDBM50526797(Ct-7001 | Ct7001 | ICEC-0942 | ICEC0942 | Samuraci...)
Affinity DataIC50: 660nMAssay Description:CDK2 IC50 Materials and solutions:HEPES (Sigma, H3375).Sodium orthovanadate (Sigma, 450243).DTT (Sigma).MgCl2 (Sigma, M1028).PEG-20000 (Sigma, 95172)...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2024
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetCyclin-dependent kinase 7(Human)
Mizoram University

Curated by ChEMBL
LigandPNGBDBM50526797(Ct-7001 | Ct7001 | ICEC-0942 | ICEC0942 | Samuraci...)
Affinity DataIC50: 34nMAssay Description:CDK7 IC50 Materials and Solutions:In addition to those mentioned above for Method 1:CDK7/cycH/MAT1 (ProQinase, 0366-0360-4).MnCl2 (Sigma, M1787).CDKt...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2024
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetCyclin-dependent kinase 9(Human)
Hefei University of Technology

Curated by ChEMBL
LigandPNGBDBM50526797(Ct-7001 | Ct7001 | ICEC-0942 | ICEC0942 | Samuraci...)
Affinity DataIC50: 320nMAssay Description:CDK9 IC50 Materials and Solutions:In addition to those mentioned above for Method 1:Human CDK9/cycK (Promega, V4104).CDKtide (SignalChem, C06-58).Ass...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2024
Entry Details
Go to US Patent

TargetCyclin-dependent kinase 7(Human)
Mizoram University

Curated by ChEMBL
LigandPNGBDBM50526797(Ct-7001 | Ct7001 | ICEC-0942 | ICEC0942 | Samuraci...)
Affinity DataIC50: 34nMAssay Description:CDK7 IC50 Materials and Solutions:In addition to those mentioned above for Method 1:CDK7/cycH/MAT1 (ProQinase, 0366-0360-4).MnCl2 (Sigma, M1787).CDKt...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2024
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetCyclin-dependent kinase 2(Human)
Hefei University of Technology

Curated by ChEMBL
LigandPNGBDBM50526797(Ct-7001 | Ct7001 | ICEC-0942 | ICEC0942 | Samuraci...)
Affinity DataIC50: 660nMAssay Description:CDK2 IC50 Materials and solutions:HEPES (Sigma, H3375).Sodium orthovanadate (Sigma, 450243).DTT (Sigma).MgCl2 (Sigma, M1028).PEG-20000 (Sigma, 95172)...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/22/2024
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetCyclin-dependent kinase 9(Human)
Hefei University of Technology

Curated by ChEMBL
LigandPNGBDBM50526797(Ct-7001 | Ct7001 | ICEC-0942 | ICEC0942 | Samuraci...)
Affinity DataIC50: 1.20E+3nMAssay Description:Inhibition of CDK9 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetCyclin-dependent kinase 7(Human)
Mizoram University

Curated by ChEMBL
LigandPNGBDBM50526797(Ct-7001 | Ct7001 | ICEC-0942 | ICEC0942 | Samuraci...)
Affinity DataIC50: 925nMAssay Description:Inhibition of CDK7 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCyclin-dependent kinase 5(Human)
Lebanese American University

Curated by ChEMBL
LigandPNGBDBM50526797(Ct-7001 | Ct7001 | ICEC-0942 | ICEC0942 | Samuraci...)
Affinity DataIC50: 9.40E+3nMAssay Description:Inhibition of CDK5 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetCyclin-dependent kinase 4(Human)
Lebanese American University

Curated by ChEMBL
LigandPNGBDBM50526797(Ct-7001 | Ct7001 | ICEC-0942 | ICEC0942 | Samuraci...)
Affinity DataIC50: 4.90E+4nMAssay Description:Inhibition of CDK4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetCyclin-dependent kinase 2(Human)
Hefei University of Technology

Curated by ChEMBL
LigandPNGBDBM50526797(Ct-7001 | Ct7001 | ICEC-0942 | ICEC0942 | Samuraci...)
Affinity DataIC50: 620nMAssay Description:Inhibition of CDK2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCyclin-dependent kinase 1(Human)
Hefei University of Technology

Curated by ChEMBL
LigandPNGBDBM50526797(Ct-7001 | Ct7001 | ICEC-0942 | ICEC0942 | Samuraci...)
Affinity DataIC50: 1.80E+3nMAssay Description:Inhibition of CDK1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetCyclin-dependent kinase 7(Human)
Mizoram University

Curated by ChEMBL
LigandPNGBDBM50526797(Ct-7001 | Ct7001 | ICEC-0942 | ICEC0942 | Samuraci...)
Affinity DataIC50: 40nMAssay Description:Inhibition of CDK7 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCyclin-dependent kinase 4(Human)
Lebanese American University

Curated by ChEMBL
LigandPNGBDBM50526797(Ct-7001 | Ct7001 | ICEC-0942 | ICEC0942 | Samuraci...)
Affinity DataIC50: 4.90E+4nMAssay Description:Competitive reversible inhibition of CDK4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetCyclin-dependent kinase 8(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50526797(Ct-7001 | Ct7001 | ICEC-0942 | ICEC0942 | Samuraci...)
Affinity DataIC50: 1.20E+3nMAssay Description:Competitive reversible inhibition of CDK8 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetCyclin-dependent kinase 7(Human)
Mizoram University

Curated by ChEMBL
LigandPNGBDBM50526797(Ct-7001 | Ct7001 | ICEC-0942 | ICEC0942 | Samuraci...)
Affinity DataIC50: 40nMAssay Description:Competitive reversible inhibition of CDK7 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCyclin-dependent kinase 2(Human)
Hefei University of Technology

Curated by ChEMBL
LigandPNGBDBM50526797(Ct-7001 | Ct7001 | ICEC-0942 | ICEC0942 | Samuraci...)
Affinity DataIC50: 620nMAssay Description:Competitive reversible inhibition of CDK2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCyclin-dependent kinase 6(Human)
Lebanese American University

Curated by ChEMBL
LigandPNGBDBM50526797(Ct-7001 | Ct7001 | ICEC-0942 | ICEC0942 | Samuraci...)
Affinity DataIC50: 3.40E+4nMAssay Description:Competitive reversible inhibition of CDK6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetCyclin-dependent kinase 5(Human)
Lebanese American University

Curated by ChEMBL
LigandPNGBDBM50526797(Ct-7001 | Ct7001 | ICEC-0942 | ICEC0942 | Samuraci...)
Affinity DataIC50: 9.40E+3nMAssay Description:Competitive reversible inhibition of CDK5 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
TargetCyclin-dependent kinase 2(Human)
Hefei University of Technology

Curated by ChEMBL
LigandPNGBDBM50526797(Ct-7001 | Ct7001 | ICEC-0942 | ICEC0942 | Samuraci...)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of CDK2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)