BDBM32381 adenosine-derived inhibitor (Grp78), 14::adenosine-derived inhibitor, 15

SMILES: Nc1ncnc2n([C@@H]3O[C@H](COCc4ccc(cc4)C#N)[C@@H](O)[C@H]3O)c(NCc3ccc4ncccc4c3)nc12

InChI Key: InChIKey=DKJUQSPQYGQPBH-UHFFFAOYSA-N

Data: 1 KI  1 IC50  3 Kd  1 K_off  1 ITC

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 5 hits for monomerid = 32381   

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
Heat shock 70 kDa protein 1A (Human)	BDBM32381 (adenosine-derived inhibitor (Grp78), 14 | adenosin...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	900	n/a	n/a	n/a	n/a	7.4	23
TBA									Citation and Details
					More data for this Ligand-Target Pair
Heat shock 70 kDa protein 1A (Human)	BDBM32381 (adenosine-derived inhibitor (Grp78), 14 | adenosin...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	50	n/a	n/a	n/a	7.4	25
TBA									Citation and Details
					More data for this Ligand-Target Pair
Endoplasmic reticulum chaperone BiP (Human)	BDBM32381 (adenosine-derived inhibitor (Grp78), 14 | adenosin...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	60	n/a	0.0400	n/a	7.4	25
TBA									Citation and Details
					More data for this Ligand-Target Pair
Heat shock 70 kDa protein 1A (Human)	BDBM32381 (adenosine-derived inhibitor (Grp78), 14 | adenosin...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	50	n/a	n/a	n/a	7.4	25
TBA									Citation and Details
					More data for this Ligand-Target Pair
Heat shock 70 kDa protein 1A (Human)	BDBM32381 (adenosine-derived inhibitor (Grp78), 14 | adenosin...) Show SMILES Show InChI	GoogleScholar	UniChem		310	-8.87	n/a	n/a	n/a	n/a	n/a	7.4	25
TBA									Citation and Details
					More data for this Ligand-Target Pair