BDBM50248631 CHEMBL4080906

SMILES [H][C@@]12CC[C@H](c3ccc4ccncc4c3)[C@@]1(C)CC=C1C=C3[C@@H](O)[C@H](O)[C@H](C[C@]33CC[C@]21O3)N(C)C

InChI Key InChIKey=KSGZCKSNTAJOJS-DZBMUNJRSA-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
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 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 DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetCyclin-C(Human)
Hefei Technology College

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 DepthDetails 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 DepthDetails ArticlePubMed

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 DepthDetails ArticlePubMedPDB3D3D 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 DepthDetails ArticlePubMed

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 DepthDetails ArticlePubMed

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 DepthDetails ArticlePubMedPDB3D3D 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 DepthDetails ArticlePubMedPDB3D3D 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 DepthDetails ArticlePubMed

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 DepthDetails ArticlePubMed

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 DepthDetails ArticlePubMedPDB3D3D 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 DepthDetails ArticlePubMed

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 DepthDetails ArticlePubMed

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 DepthDetails ArticlePubMedPDB3D3D 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 DepthDetails ArticlePubMed

TargetCyclin-C(Human)
Hefei Technology College

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 DepthDetails ArticlePubMedPDB3D3D Structure (crystal)