BDBM32380 adenosine-derived inhibitor, 14

SMILES: Nc1ncnc2n([C@@H]3O[C@H](COCc4cc(F)c(F)c(F)c4)[C@@H](O)[C@H]3O)c(NCc3ccc(Cl)c(Cl)c3)nc12

InChI Key: InChIKey=NRTIEXLTIVTYGP-UGTJMOTHSA-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 = 32380   

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))	BDBM32380 (adenosine-derived inhibitor, 14) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](COCc4cc(F)c(F)c(F)c4)[C@@H](O)[C@H]3O)c(NCc3ccc(Cl)c(Cl)c3)nc12 |r| Show InChI InChI=1S/C24H21Cl2F3N6O4/c25-12-2-1-10(3-13(12)26)6-31-24-34-18-21(30)32-9-33-22(18)35(24)23-20(37)19(36)16(39-23)8-38-7-11-4-14(27)17(29)15(28)5-11/h1-5,9,16,19-20,23,36-37H,6-8H2,(H,31,34)(H2,30,32,33)/t16-,19-,20-,23-/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	4.20E+3	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))	BDBM32380 (adenosine-derived inhibitor, 14) Show SMILES Nc1ncnc2n([C@@H]3O[C@H](COCc4cc(F)c(F)c(F)c4)[C@@H](O)[C@H]3O)c(NCc3ccc(Cl)c(Cl)c3)nc12 |r| Show InChI InChI=1S/C24H21Cl2F3N6O4/c25-12-2-1-10(3-13(12)26)6-31-24-34-18-21(30)32-9-33-22(18)35(24)23-20(37)19(36)16(39-23)8-38-7-11-4-14(27)17(29)15(28)5-11/h1-5,9,16,19-20,23,36-37H,6-8H2,(H,31,34)(H2,30,32,33)/t16-,19-,20-,23-/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	1.70E+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