BDBM50524391 CHEMBL2042164

SMILES c1ccc(cc1)N2CCN(CC2)c3c4c(ncn3)n(cn4)[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O

InChI Key InChIKey=FVRJZHPJEJJPPT-UHFFFAOYSA-N

Data  2 KI

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50524391   

TargetAdenosine kinase(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Texas A&M University

Curated by ChEMBL
LigandPNGBDBM50524391(CHEMBL2042164)
Affinity DataKi:  120nMAssay Description:Inhibition of wild-type N-terminal TEV cleavage site-fused/His-tagged Mycobacterium tuberculosis H37Rv adenosine kinase expressed in Escherichia coli...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAdenosine kinase(Human)
Texas A&M University

Curated by ChEMBL
LigandPNGBDBM50524391(CHEMBL2042164)
Affinity DataKi:  5.10E+3nMAssay Description:Inhibition of recombinant human adenosine kinase expressed in Escherichia coli BL21 (DE3) using adenosine as substrate in presence of ATP and PEP by ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/24/2021
Entry Details Article
PubMed