BDBM32379 adenosine-derived inhibitor, 13

SMILES: Nc1ncnc2n([C@@H]3O[C@H](COCc4ccc(cc4)C#N)[C@@H](O)[C@H]3O)c(NCc3ccccc3)nc12

InChI Key: InChIKey=VVUSRKLKGUETQD-UMCMBGNQSA-N

Data: 1 IC50  1 Kd

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 = 32379   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Heat Shock 70kDa Protein 1 (Homo sapiens (Human))	BDBM32379 (adenosine-derived inhibitor, 13) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](COCc4ccc(cc4)C#N)[C@@H](O)[C@H]3O)c(NCc3ccccc3)nc12 |r| Show InChI InChI=1S/C25H25N7O4/c26-10-15-6-8-17(9-7-15)12-35-13-18-20(33)21(34)24(36-18)32-23-19(22(27)29-14-30-23)31-25(32)28-11-16-4-2-1-3-5-16/h1-9,14,18,20-21,24,33-34H,11-13H2,(H,28,31)(H2,27,29,30)/t18-,20-,21-,24-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	200	n/a	n/a	n/a	7.4	25
Vernalis (R&D) Ltd.					Assay Description All experiments were performed on a Biacore T100 at 25 deg C with a flow rate of 30 uL per minute. Double His-tagged HSP70 was immobilised on the sur...				J Med Chem 52: 1510-3 (2009) Article DOI: 10.1021/jm801627a BindingDB Entry DOI: 10.7270/Q29S1PDC
					More data for this Ligand-Target Pair
Heat Shock 70kDa Protein 1 (Homo sapiens (Human))	BDBM32379 (adenosine-derived inhibitor, 13) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](COCc4ccc(cc4)C#N)[C@@H](O)[C@H]3O)c(NCc3ccccc3)nc12 |r| Show InChI InChI=1S/C25H25N7O4/c26-10-15-6-8-17(9-7-15)12-35-13-18-20(33)21(34)24(36-18)32-23-19(22(27)29-14-30-23)31-25(32)28-11-16-4-2-1-3-5-16/h1-9,14,18,20-21,24,33-34H,11-13H2,(H,28,31)(H2,27,29,30)/t18-,20-,21-,24-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	7.4	23
Vernalis (R&D) Ltd.					Assay Description A fluorescein-labeled ATP-based probe was utilized, which binds to the GST fused ATPase domain (amino acids 3-383) of HSP70, producing an increase in...				J Med Chem 52: 1510-3 (2009) Article DOI: 10.1021/jm801627a BindingDB Entry DOI: 10.7270/Q29S1PDC
					More data for this Ligand-Target Pair