Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endoplasmin' and Ligand = 'BDBM50165278'   

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
Endoplasmin (Homo sapiens (Human))	BDBM50165278 (9-Pent-4-ynyl-8-(2-trifluoromethoxy-phenylsulfanyl...) Show SMILES Nc1ncnc2n(CCCC#C)c(Sc3ccccc3OC(F)(F)F)nc12 Show InChI InChI=1S/C17H14F3N5OS/c1-2-3-6-9-25-15-13(14(21)22-10-23-15)24-16(25)27-12-8-5-4-7-11(12)26-17(18,19)20/h1,4-5,7-8,10H,3,6,9H2,(H2,21,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sloan-Kettering Curated by ChEMBL					Assay Description Displacement of Cy3B-GM from recombinant Grp94 (unknown origin) after 24 hrs by fluorescence polarization assay				J Med Chem 58: 3922-43 (2015) Article DOI: 10.1021/acs.jmedchem.5b00197 BindingDB Entry DOI: 10.7270/Q2CC12DD
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