BDBM50248631 CHEMBL4080906

SMILES C[C@]12CC=C3C=C4[C@H]([C@@H]([C@H](C[C@]45CC[C@@]3([C@@H]1CC[C@@H]2c6ccc7ccncc7c6)O5)N(C)C)O)O

InChI Key InChIKey=KSGZCKSNTAJOJS-UHFFFAOYSA-N

Data  6 IC50  10 Kd

PDB links: 1 PDB ID matches 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 16 hits for monomerid = 50248631   

TargetCyclin-dependent kinase 8(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50248631(CHEMBL4080906)
Affinity DataIC50: 12nMAssay Description:Inhibition of CDK8 (unknown origin) assessed as reduction in RNAP2 C-terminal domain phosphorylationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/14/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCyclin-C(Human)
University of South Australia

Curated by ChEMBL
LigandPNGBDBM50248631(CHEMBL4080906)
Affinity DataIC50: 5nMAssay Description:Inhibition of CDK8/CCNC (unknown origin) using RBER-IRStide as substrate in presence of [gamma33P]ATP by radiometric methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetRho-associated protein kinase 1(Human)
University of South Australia

Curated by ChEMBL
LigandPNGBDBM50248631(CHEMBL4080906)
Affinity DataIC50: 250nMAssay Description:Inhibition of ROCK1 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetCyclin-dependent kinase 19(Human)
University of South Australia

Curated by ChEMBL
LigandPNGBDBM50248631(CHEMBL4080906)
Affinity DataIC50: 10nMAssay Description:Inhibition of CDK19 (unknown origin) in presence of [gamma33P]ATP by radiometric methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetRho-associated protein kinase 2(Human)
University of South Australia

Curated by ChEMBL
LigandPNGBDBM50248631(CHEMBL4080906)
Affinity DataIC50: 220nMAssay Description:Inhibition of ROCK2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetRho-associated protein kinase 1(Human)
University of South Australia

Curated by ChEMBL
LigandPNGBDBM50248631(CHEMBL4080906)
Affinity DataKd:  250nMAssay Description:Binding affinity to wild-type partial length human ROCK1 (M1 to R415 residues) expressed in mammalian expression system by Kinomescan assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetCyclin-dependent kinase 8(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50248631(CHEMBL4080906)
Affinity DataKd:  17nMAssay Description:Binding affinity to wild-type partial length human CDK8 (M1 to T360 residues) expressed in bacterial expression system by Kinomescan assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetCyclin-dependent kinase 19(Human)
University of South Australia

Curated by ChEMBL
LigandPNGBDBM50248631(CHEMBL4080906)
Affinity DataKd:  10nMAssay Description:Binding affinity to wild-type partial length human CDK11 (M1 to N360 residues) expressed in bacterial expression system by Kinomescan assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetRho-associated protein kinase 1(Human)
University of South Australia

Curated by ChEMBL
LigandPNGBDBM50248631(CHEMBL4080906)
Affinity DataKd:  250nMAssay Description:Binding affinity to wild-type partial length human ROCK1 (M1 to R415 residues) expressed in mammalian expression system by Kinomescan assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetcAMP-dependent protein kinase catalytic subunit alpha(Human)
Shaoxing University

Curated by ChEMBL
LigandPNGBDBM50248631(CHEMBL4080906)
Affinity DataKd:  3.50E+3nMAssay Description:Binding affinity to wild-type partial length human PKACalpha (G10 to F351 residues) expressed in bacterial expression system by Kinomescan assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetCyclin-dependent kinase 19(Human)
University of South Australia

Curated by ChEMBL
LigandPNGBDBM50248631(CHEMBL4080906)
Affinity DataKd:  10nMAssay Description:Binding affinity to wild-type partial length human CDK11 (M1 to N360 residues) expressed in bacterial expression system by Kinomescan assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetRho-associated protein kinase 2(Human)
University of South Australia

Curated by ChEMBL
LigandPNGBDBM50248631(CHEMBL4080906)
Affinity DataKd:  220nMAssay Description:Binding affinity to wild-type partial length human ROCK2 (M1 to T431 residues) expressed in mammalian expression system by Kinomescan assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetcAMP-dependent protein kinase catalytic subunit alpha(Human)
Shaoxing University

Curated by ChEMBL
LigandPNGBDBM50248631(CHEMBL4080906)
Affinity DataKd:  3.50E+3nMAssay Description:Binding affinity to wild-type partial length human PKACalpha (G10 to F351 residues) expressed in bacterial expression system by Kinomescan assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetCyclin-dependent kinase 8(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50248631(CHEMBL4080906)
Affinity DataKd:  17nMAssay Description:Binding affinity to wild-type partial length human CDK8 (M1 to T360 residues) expressed in bacterial expression system by Kinomescan assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetRho-associated protein kinase 2(Human)
University of South Australia

Curated by ChEMBL
LigandPNGBDBM50248631(CHEMBL4080906)
Affinity DataKd:  220nMAssay Description:Binding affinity to wild-type partial length human ROCK2 (M1 to T431 residues) expressed in mammalian expression system by Kinomescan assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetCyclin-C(Human)
University of South Australia

Curated by ChEMBL
LigandPNGBDBM50248631(CHEMBL4080906)
Affinity DataIC50: 12nMAssay Description:Inhibition of CDK8/Cyclin C (unknown origin) using RBER-IRStide as substrate by radiometric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/21/2024
Entry Details
PubMedPDB3D3D Structure (crystal)