Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock protein 75 kDa, mitochondrial' and Ligand = 'BDBM50087723'   

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 protein 75 kDa, mitochondrial (Homo sapiens (Human))	BDBM50087723 (CHEMBL3426782) Show SMILES CC(C)NCCCn1c(Sc2ccc(Cl)cc2Cl)nc2c(N)nccc12 Show InChI InChI=1S/C18H21Cl2N5S/c1-11(2)22-7-3-9-25-14-6-8-23-17(21)16(14)24-18(25)26-15-5-4-12(19)10-13(15)20/h4-6,8,10-11,22H,3,7,9H2,1-2H3,(H2,21,23)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.41E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sloan-Kettering Curated by ChEMBL					Assay Description Displacement of PU-FITC3 from recombinant TRAP-1 (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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