BDBM50531167 CHEMBL4583945

SMILES C=CC(=O)OCCC[C@@H]1[C@H]([C@H]([C@@H](O1)n2c3c(c(ncn3)N)nc2NCc4ccc(cc4)Cl)O)O

InChI Key InChIKey=XOSUZIPWVSJZRF-UHFFFAOYSA-N

Data  8 KI

PDB links: 2 PDB IDs match 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 8 hits for monomerid = 50531167   

TargetHeat shock-related 70 kDa protein 2(Human)
The Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50531167(CHEMBL4583945)
Affinity DataKi:  3.70E+3nMAssay Description:Covalent inhibition of HSP72-NBD (unknown origin) after 46 hrs nucleotide-derived FP probe displacement based by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetHeat shock-related 70 kDa protein 2(Human)
The Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50531167(CHEMBL4583945)
Affinity DataKi:  3.70E+3nMAssay Description:Covalent inhibition of HSP72-NBD (unknown origin) after 46 hrs nucleotide-derived FP probe displacement based by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetHeat shock-related 70 kDa protein 2(Human)
The Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50531167(CHEMBL4583945)
Affinity DataKi:  7.20E+3nMAssay Description:Covalent inhibition of HSP72-NBD (unknown origin) after 19 hrs nucleotide-derived FP probe displacement based by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetHeat shock-related 70 kDa protein 2(Human)
The Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50531167(CHEMBL4583945)
Affinity DataKi:  7.20E+3nMAssay Description:Covalent inhibition of HSP72-NBD (unknown origin) after 19 hrs nucleotide-derived FP probe displacement based by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetHeat shock-related 70 kDa protein 2(Human)
The Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50531167(CHEMBL4583945)
Affinity DataKi:  1.70E+4nMAssay Description:Covalent inhibition of HSP72-NBD (unknown origin) after 0.083 hrs nucleotide-derived FP probe displacement based by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetHeat shock-related 70 kDa protein 2(Human)
The Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50531167(CHEMBL4583945)
Affinity DataKi:  1.70E+4nMAssay Description:Covalent inhibition of HSP72-NBD (unknown origin) after 0.083 hrs nucleotide-derived FP probe displacement based by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetHeat shock-related 70 kDa protein 2(Human)
The Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50531167(CHEMBL4583945)
Affinity DataKi:  1.80E+4nMAssay Description:Covalent inhibition of HSP72-NBD (unknown origin) assessed as initial inhibition constant nucleotide-derived FP probe displacement based by fluoresce...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetHeat shock-related 70 kDa protein 2(Human)
The Institute of Cancer Research

Curated by ChEMBL
LigandPNGBDBM50531167(CHEMBL4583945)
Affinity DataKi:  1.80E+4nMAssay Description:Covalent inhibition of HSP72-NBD (unknown origin) assessed as initial inhibition constant nucleotide-derived FP probe displacement based by fluoresce...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)