BDBM50505574 CHEMBL4451634

SMILES CC1(c2cc(c(cc2N=C1N)OCCCN3Cc4ccc(cc4C3)OCCc5cn(nn5)CC(=O)N6CCC(CC6)CCN7CCCC7)OCC8CC8)C

InChI Key InChIKey=XPEJZXWPKDAYFX-UHFFFAOYSA-N

Data  1 IC50  6 Kd  1 EC50

PDB links: 1 PDB ID matches this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50505574   

TargetSpindlin-2B(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50505574(CHEMBL4451634)
Affinity DataKd:  46nMAssay Description:Binding affinity to recombinant human His-tagged SPIN2B (45 to 258 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation consta...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetSpindlin-1(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50505574(CHEMBL4451634)
Affinity DataEC50:  270nMAssay Description:Inhibition of C-terminal Halotag-histone 3.3 tagged SPIN1 (unknown origin) transfected in human U2OS cells cotransfected with nano-luciferase at 1 uM...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSpindlin-1(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50505574(CHEMBL4451634)
Affinity DataIC50: 33nMAssay Description:Displacement of trimethylated biotinylated histone H3 peptide from recombinant human His-tagged SPIN1 (26 to 262 residues) expressed in Escherichia c...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSpindlin-1(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50505574(CHEMBL4451634)
Affinity DataKd:  55nMAssay Description:Binding affinity to human His-tagged SPIN1 (21 to 262 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant preincubat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSpindlin-1(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50505574(CHEMBL4451634)
Affinity DataKd:  9.90nMAssay Description:Binding affinity to recombinant human His-tagged SPIN1 (49 to 262 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constan...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSpindlin-1(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50505574(CHEMBL4451634)
Affinity DataKd:  111nMAssay Description:Binding affinity to recombinant human His-tagged SPIN1 (26 to 262 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constan...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSpindlin-4(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50505574(CHEMBL4451634)
Affinity DataKd:  18nMAssay Description:Binding affinity to recombinant human His-tagged SPIN4 (36 to 249 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constan...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMed
TargetSpindlin-3(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50505574(CHEMBL4451634)
Affinity DataKd:  131nMAssay Description:Binding affinity to recombinant human His-tagged SPIN3 (27 to 258 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constan...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)