BDBM50353060 CHEMBL4167193::US12325725, Compound 33

SMILES [H][C@@]12CC[C@H](c3ccc4ccncc4c3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@H](CC[C@]12C)N(C)C

InChI Key InChIKey=IWZSHWBGHQBIML-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 50353060   

TargetSerine/threonine-protein kinase Nek1(Human)
Dana-Farber Cancer Institute

Curated by ChEMBL
LigandPNGBDBM50353060(CHEMBL4167193 | US12325725, Compound 33)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of wild-type human partial length NEK1 (M1 to K278 residues) expressed in bacterial expression system by Kinomescan methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2020
Entry Details Article
PubMed
TargetCyclin-dependent kinase 19(Human)
Dana-Farber Cancer Institute

Curated by ChEMBL
LigandPNGBDBM50353060(CHEMBL4167193 | US12325725, Compound 33)
Affinity DataIC50: 8nMAssay Description:Inhibition of human CDK19 (M1 to N360 residues) expressed in bacterial expression system by KINOMEscan assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2020
Entry Details Article
PubMed
TargetCyclin-dependent kinase 8(Human)
Dana-Farber Cancer Institute

Curated by ChEMBL
LigandPNGBDBM50353060(CHEMBL4167193 | US12325725, Compound 33)
Affinity DataIC50: 16nMAssay Description:Inhibition of CDK8 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/14/2020
Entry Details Article
PubMed
TargetCyclin-dependent kinase 8/19(Human)
Dana-Farber Cancer Institute

US Patent
LigandPNGBDBM50353060(CHEMBL4167193 | US12325725, Compound 33)
Affinity DataIC50: 100nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/4/2025
Entry Details
Go to US Patent