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: c1ccc2c(c1)ccc(n2)CNc3nc4c(ncnc4n3[C@H]5[C@@H]([C@@H]([C@H](O5)CO)O)O)N

InChI Key: InChIKey=NAHSCHKAPXMNFP-UHFFFAOYSA-N

Data: 1 KI  1 Kd  1 K_off

PDB links: 2 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 82129   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Endoplasmic reticulum chaperone BiP (Human)	BDBM82129 ((2R,3R,4S,5R)-2-{6-Amino-8-[(quinolin-2-ylmethyl)a...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	2.41E+3	n/a	0.400	n/a	7.4	25
TBA									Citation and Details
					More data for this Ligand-Target Pair
Heat shock 70 kDa protein 1A (Human)	BDBM82129 ((2R,3R,4S,5R)-2-{6-Amino-8-[(quinolin-2-ylmethyl)a...) Show SMILES Show InChI	GoogleScholar	UniChem		4.32E+3	-7.31	n/a	n/a	n/a	n/a	n/a	7.4	25
TBA									Citation and Details
					More data for this Ligand-Target Pair