Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Heat shock protein 75 kDa, mitochondrial' and Ligand = 'BDBM50087649'   

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))	BDBM50087649 (CHEMBL3426768) Show SMILES Nc1ncn(CCCC#N)c2nc(Sc3ccc(Cl)cc3Cl)nc12 Show InChI InChI=1S/C15H12Cl2N6S/c16-9-3-4-11(10(17)7-9)24-15-21-12-13(19)20-8-23(14(12)22-15)6-2-1-5-18/h3-4,7-8H,1-2,6,19H2	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.60E+3	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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