BDBM82129 (2R,3R,4S,5R)-2-{6-Amino-8-[(quinolin-2-ylmethyl)amino]- purin-9-yl}-5-hydroxymethyltetrahydrofuran-3,4-diol::adenosine-derived inhibitor (Grp78), 10

SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(NCc3ccc4ccccc4n3)nc12

InChI Key InChIKey=NAHSCHKAPXMNFP-NVQRDWNXSA-N

Data  1 KI  1 Kd  1 Koff

PDB links: 2 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 82129   

TargetHeat shock 70 kDa protein 1A(Homo sapiens (Human))
Vernalis (R&D)

LigandPNGBDBM82129((2R,3R,4S,5R)-2-{6-Amino-8-[(quinolin-2-ylmethyl)a...)
Affinity DataKi:  4.32E+3nM ΔG°:  -7.31kcal/molepH: 7.4 T: 2°CAssay Description:The assay was based on the fluorescence polarization of the unbound small binding partner will be low, and its binding to a larger binding partner wi...More data for this Ligand-Target Pair
TargetEndoplasmic reticulum chaperone BiP(Homo sapiens (Human))
Vernalis (R&D)

LigandPNGBDBM82129((2R,3R,4S,5R)-2-{6-Amino-8-[(quinolin-2-ylmethyl)a...)
Affinity DataKd:  2.41E+3nM Kon:  0.400M-1s-1pH: 7.4 T: 2°CAssay Description:SPR measurements wereperformed on BIAcore T100 instrument (BIAcore GE Healthcare), at25 C on series S NTA chips (certified) according to provider'...More data for this Ligand-Target Pair