Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock cognate 71 kDa protein' and Ligand = 'BDBM50443576'   

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))	BDBM50443576 (CHEMBL3091943) Show SMILES CCn1c(=O)c(sc1=Cc1cccc[n+]1CCCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)=C1Sc2ccc(F)cc2N1C |r,w:37.41,8.9| Show InChI InChI=1S/C35H43FN6O3S3/c1-3-42-30(48-32(33(42)44)34-40(2)26-20-23(36)15-16-27(26)47-34)21-24-12-8-11-19-41(24)18-10-5-4-9-17-37-29(43)14-7-6-13-28-31-25(22-46-28)38-35(45)39-31/h8,11-12,15-16,19-21,25,28,31H,3-7,9-10,13-14,17-18,22H2,1-2H3,(H2-,37,38,39,43,45)/p+1/t25-,28-,31-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a
University of California at San Francisco Curated by ChEMBL					Assay Description Binding affinity to human HSC70 after 3 hrs by ELISA				ACS Med Chem Lett 4: (2013) Article DOI: 10.1021/ml400204n BindingDB Entry DOI: 10.7270/Q2Q81FHC
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