Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Heat shock cognate 71 kDa protein' and Ligand = 'BDBM31995'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Heat shock cognate 71 kDa protein (Homo sapiens (Human))	BDBM31995 (ADP | Adenosine Diphosphate (ADP) | CHEMBL14830) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a
Vernalis R&D Ltd. Curated by ChEMBL					Assay Description Binding affinity to human Hsc70 by isothermal calorimetry assay				J Med Chem 53: 7280-6 (2010) Article DOI: 10.1021/jm100342z BindingDB Entry DOI: 10.7270/Q25X2956
					More data for this Ligand-Target Pair				3D Structure (docked)
Heat shock cognate 71 kDa protein (Bos taurus)	BDBM31995 (ADP | Adenosine Diphosphate (ADP) | CHEMBL14830) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a
Vernalis R&D Ltd. Curated by ChEMBL					Assay Description Binding affinity to bovine Hsc70 by filter binding assay				J Med Chem 53: 7280-6 (2010) Article DOI: 10.1021/jm100342z BindingDB Entry DOI: 10.7270/Q25X2956
					More data for this Ligand-Target Pair				3D Structure (docked)