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

SMILES CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@H]3CCNC[C@@H]3O)nc12

InChI Key InChIKey=YCVGLKWJKIKVBI-MJGOQNOKSA-N

Data  26 IC50

PDB links: 4 PDB IDs match this monomer.

  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 26 hits for monomerid = 50526797   

TargetCyclin-dependent kinase 7(Homo sapiens (Human))
Tianjin University Of Science And Technology

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
TargetCyclin-dependent kinase 7(Homo sapiens (Human))
Tianjin University Of Science And Technology

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
TargetCyclin-dependent kinase 5(Homo sapiens (Human))
Eli Lilly

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 DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 6(Homo sapiens (Human))
Eli Lilly

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 DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
Eli Lilly

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
TargetCyclin-dependent kinase 7(Homo sapiens (Human))
Tianjin University Of Science And Technology

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
TargetCyclin-dependent kinase 8(Homo sapiens (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 DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 4(Homo sapiens (Human))
Eli Lilly

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 DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 7(Homo sapiens (Human))
Tianjin University Of Science And Technology

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
TargetCyclin-dependent kinase 1(Homo sapiens (Human))
Lebanese American University

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 DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
Eli Lilly

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
TargetCyclin-dependent kinase 4(Homo sapiens (Human))
Eli Lilly

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 DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 5(Homo sapiens (Human))
Eli Lilly

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 DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 6(Homo sapiens (Human))
Eli Lilly

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 DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 9(Homo sapiens (Human))
Lebanese American University

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 DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
Eli Lilly

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
TargetCyclin-dependent kinase 7(Homo sapiens (Human))
Tianjin University Of Science And Technology

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
TargetCyclin-dependent kinase 9(Homo sapiens (Human))
Lebanese American University

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 DepthDetails US Patent
TargetCyclin-dependent kinase 7(Homo sapiens (Human))
Tianjin University Of Science And Technology

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
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
Eli Lilly

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
TargetCyclin-dependent kinase 7(Homo sapiens (Human))
Tianjin University Of Science And Technology

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
TargetCyclin-dependent kinase 1(Homo sapiens (Human))
Lebanese American University

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 DepthDetails PubMed
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
Eli Lilly

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
TargetCyclin-dependent kinase 7(Homo sapiens (Human))
Tianjin University Of Science And Technology

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
TargetCyclin-dependent kinase 9(Homo sapiens (Human))
Lebanese American University

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 DepthDetails PubMed
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
Eli Lilly

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