BDBM50505575 CHEMBL4476514

SMILES c1cc(ccc1Nc2cc(ccc2C(=O)N3CCC(CC3)CCN4CCCC4)C(=O)N5CCC(CC5)CCN6CCCC6)OCN7CCCC7

InChI Key InChIKey=LPCWQWNRCGWRFC-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 50505575   

TargetSpindlin-1(Human)
University of Oxford

Curated by ChEMBL
LigandPNGBDBM50505575(CHEMBL4476514)
Affinity DataKd:  4.00E+3nMAssay Description:Binding affinity to recombinant human N-terminal His-tagged SPIN1 (50 to 262 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociat...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
LigandPNGBDBM50505575(CHEMBL4476514)
Affinity DataKd:  3.00E+3nMAssay Description:Inhibition of SPIN1 (unknown origin) assessed as dissociation constant by isothermal titration calorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/23/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)